#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 4.21 0.60 0.00 1.43 0.52 -1.24 118.68 124.20 3ifj s LEU 2 Ca 0.00 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.31 3ifj s LEU 2 Cb 0.00 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 3ifj s LEU 2 CO 0.00 0.35 1.03 0.00 0.23 0.00 0.00 176.35 177.96 3ifj s ALA 3 N -1.11 2.90 0.23 4.21 0.00 -0.12 0.66 121.76 128.53 3ifj s ALA 3 Ca 0.19 0.17 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 3ifj s ALA 3 Cb -0.12 -3.16 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 3ifj s ALA 3 CO 0.09 -0.70 1.31 -1.91 0.00 0.00 0.00 175.76 174.55 3ifj n GLU 4 N -2.26 1.77 0.00 0.00 2.13 0.16 -1.76 120.64 120.68 3ifj n GLU 4 Ca 0.07 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.52 3ifj n GLU 4 Cb 0.54 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.03 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 1.97 2.06 3.71 8.31 0.00 -1.26 -4.99 105.19 115.00 3ifj n GLY 5 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ifj n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifj s THR 6 N -2.52 2.21 -0.05 2.61 2.01 -0.72 -4.80 115.64 114.38 3ifj s THR 6 Ca 0.00 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 61.87 3ifj s THR 6 Cb 0.00 -3.04 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 3ifj s THR 6 CO 0.00 0.00 0.55 -0.13 -0.69 0.00 0.00 174.62 174.35 3ifj s ARG 7 N 1.56 4.30 -0.19 4.92 0.52 -1.26 -0.73 118.95 128.08 3ifj s ARG 7 Ca 0.76 0.62 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 3ifj s ARG 7 Cb -0.48 -3.38 0.03 0.00 0.52 0.00 0.00 34.95 31.65 3ifj s ARG 7 CO 0.33 0.29 -0.14 0.42 0.02 0.00 0.00 175.30 176.22 3ifj s ILE 8 N 0.13 1.79 -0.09 1.52 -1.09 0.20 -1.01 121.20 122.64 3ifj s ILE 8 Ca 0.29 -0.99 -0.24 0.00 -2.23 0.00 0.00 60.65 57.49 3ifj s ILE 8 Cb -0.17 -1.77 -0.03 0.00 -1.58 0.00 0.00 42.46 38.91 3ifj s ILE 8 CO 0.14 0.30 0.73 0.12 -1.23 0.00 0.00 174.94 175.00 3ifj s PHE 9 N 1.35 3.53 -0.40 3.97 5.36 -1.26 -0.38 117.98 130.15 3ifj s PHE 9 Ca 0.01 1.24 -0.19 0.00 -0.96 0.00 0.00 56.93 57.03 3ifj s PHE 9 Cb -0.15 -2.85 0.01 0.00 -0.34 0.00 0.00 43.02 39.69 3ifj s PHE 9 CO -0.10 0.00 0.53 0.34 -1.46 0.00 0.00 175.22 174.54 3ifj s ASP 10 N 0.91 6.28 0.00 6.13 -1.08 -0.05 -3.91 116.67 124.95 3ifj s ASP 10 Ca 0.37 -0.35 0.16 0.00 -0.52 0.00 0.00 52.55 52.21 3ifj s ASP 10 Cb -0.17 -2.27 0.83 0.00 -1.46 0.00 0.00 42.92 39.84 3ifj s ASP 10 CO 0.17 -0.61 1.44 -0.81 0.52 0.00 0.00 175.17 175.87 3ifj n PRO 11 N 5.87 0.28 -0.13 4.34 -0.04 -1.26 -0.09 135.00 143.97 3ifj n PRO 11 Ca -0.05 0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.28 3ifj n PRO 11 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 3ifj n PRO 11 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ifj n VAL 12 N -1.23 1.53 0.02 0.52 0.31 -1.26 -4.59 118.33 113.63 3ifj n VAL 12 Ca 0.08 -0.44 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 3ifj n VAL 12 Cb 0.11 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.23 3ifj n VAL 12 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3ifj h THR 13 N -0.59 0.66 0.00 2.52 1.35 -1.94 -3.48 112.91 111.44 3ifj h THR 13 Ca -0.62 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.98 3ifj h THR 13 Cb 1.72 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3ifj h THR 13 CO -0.27 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 3ifj n GLY 14 N 1.43 0.79 3.77 5.82 0.00 0.87 -5.03 105.19 112.83 3ifj n GLY 14 Ca -0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.97 4.63 -0.23 2.61 2.01 -1.23 -4.82 115.64 115.64 3ifj s THR 15 Ca 0.00 1.54 -0.09 0.00 0.31 0.00 0.00 61.69 63.45 3ifj s THR 15 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3ifj s THR 15 CO 0.00 0.45 0.12 -0.89 -0.69 0.00 0.00 174.62 173.61 3ifj s THR 16 N -0.59 4.96 0.24 -0.82 2.01 -1.26 -0.87 115.64 119.30 3ifj s THR 16 Ca 0.35 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.47 3ifj s THR 16 Cb -0.21 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 3ifj s THR 16 CO 0.23 0.36 0.06 -1.00 -0.69 0.00 0.00 174.62 173.58 3ifj s HIS 17 N 1.11 2.87 -0.20 4.92 3.76 0.49 -4.89 115.29 123.34 3ifj s HIS 17 Ca 0.06 -0.16 -0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3ifj s HIS 17 Cb -0.14 -1.31 -0.05 0.00 1.11 0.00 0.00 32.58 32.19 3ifj s HIS 17 CO 0.04 0.57 0.13 1.03 -0.85 0.00 0.00 174.74 175.66 3ifj s ARG 18 N -3.54 4.16 0.33 1.40 0.52 -1.26 0.61 118.95 121.17 3ifj s ARG 18 Ca 0.31 -0.24 0.12 0.00 -0.52 0.00 0.00 55.73 55.40 3ifj s ARG 18 Cb -0.08 -3.42 0.96 0.00 0.52 0.00 0.00 34.95 32.93 3ifj s ARG 18 CO 0.21 0.27 1.72 0.97 0.02 0.00 0.00 175.30 178.49 3ifj h ILE 19 N 4.73 0.48 -0.15 1.52 2.10 -1.24 -0.02 117.51 124.94 3ifj h ILE 19 Ca -0.40 -0.17 -0.01 0.00 1.08 0.00 0.00 64.86 65.35 3ifj h ILE 19 Cb 1.15 -0.07 -0.01 0.00 -1.09 0.00 0.00 36.82 36.81 3ifj h ILE 19 CO 0.74 0.09 0.03 1.05 -1.08 0.00 0.00 178.15 178.98 3ifj h GLU 20 N 0.50 0.20 0.02 2.19 9.09 -1.88 -0.90 114.58 123.81 3ifj h GLU 20 Ca 0.66 -0.02 -0.22 0.00 0.05 0.00 0.00 59.36 59.83 3ifj h GLU 20 Cb 1.37 -0.04 -0.00 0.00 -1.65 0.00 0.00 28.75 28.43 3ifj h GLU 20 CO -0.48 0.20 -0.97 -0.44 0.05 0.00 0.00 179.01 177.37 3ifj h ASP 21 N 0.20 0.39 -0.44 3.06 3.32 -1.42 -0.50 116.42 121.03 3ifj h ASP 21 Ca 0.05 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 3ifj h ASP 21 Cb 0.09 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3ifj h ASP 21 CO -0.00 1.15 0.10 0.58 -1.72 0.00 0.00 179.24 179.35 3ifj h VAL 22 N 0.15 1.24 -0.02 -1.35 2.07 -1.06 -2.04 116.25 115.24 3ifj h VAL 22 Ca -0.07 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 3ifj h VAL 22 Cb 1.62 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3ifj h VAL 22 CO 0.16 0.29 -0.02 0.58 0.02 0.00 0.00 177.57 178.60 3ifj h VAL 23 N 0.58 1.38 -0.65 2.57 2.07 -1.18 0.38 116.25 121.39 3ifj h VAL 23 Ca 0.14 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3ifj h VAL 23 Cb 0.34 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3ifj h VAL 23 CO 0.00 0.30 0.42 0.44 0.02 0.00 0.00 177.57 178.76 3ifj h ASP 24 N -0.42 0.76 0.15 0.57 3.32 -1.10 -2.20 116.42 117.50 3ifj h ASP 24 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ifj h ASP 24 Cb 0.50 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3ifj h ASP 24 CO 0.00 0.56 -0.36 0.61 -1.72 0.00 0.00 179.24 178.33 3ifj n GLY 25 N -1.40 -0.43 3.79 2.75 0.00 -0.77 -4.94 105.19 104.19 3ifj n GLY 25 Ca 0.07 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.50 -4.45 -2.34 1.61 5.12 -0.03 -4.86 116.66 111.22 3ifj n ARG 26 Ca 0.11 0.55 -0.42 0.00 -1.93 0.00 0.00 57.85 56.16 3ifj n ARG 26 Cb 0.39 -5.00 -0.03 0.00 -1.16 0.00 0.00 32.46 26.66 3ifj n ARG 26 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3ifj s LYS 27 N -6.18 4.34 -1.55 5.56 1.02 -0.32 -4.93 119.74 117.68 3ifj s LYS 27 Ca 0.04 1.84 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 3ifj s LYS 27 Cb -0.02 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3ifj s LYS 27 CO 0.84 -0.46 2.65 -0.35 -0.92 0.00 0.00 175.35 177.10 3ifj n PRO 28 N 4.92 3.41 -2.44 -1.68 -0.04 -1.26 -4.89 135.00 133.02 3ifj n PRO 28 Ca 0.11 -2.42 -0.24 0.00 -0.04 0.00 0.00 63.50 60.91 3ifj n PRO 28 Cb 0.45 -2.98 0.08 0.00 -0.04 0.00 0.00 33.50 31.01 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 2.41 2.32 0.21 0.52 -4.36 -1.26 -4.86 121.20 116.18 3ifj s ILE 29 Ca 0.60 -0.48 0.08 0.00 -0.26 0.00 0.00 60.65 60.60 3ifj s ILE 29 Cb 0.16 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 3ifj s ILE 29 CO -0.07 0.00 -0.03 -1.00 0.24 0.00 0.00 174.94 174.08 3ifj s HIS 30 N -3.12 2.74 0.34 1.37 3.76 -1.26 -1.21 115.29 117.91 3ifj s HIS 30 Ca 0.62 -0.19 0.05 0.00 -0.15 0.00 0.00 55.06 55.39 3ifj s HIS 30 Cb -0.08 -1.29 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 3ifj s HIS 30 CO 0.43 0.55 0.20 0.14 -0.85 0.00 0.00 174.74 175.21 3ifj s VAL 31 N -1.92 0.25 -0.13 -0.90 -7.23 0.34 -4.02 120.40 106.79 3ifj s VAL 31 Ca 0.28 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3ifj s VAL 31 Cb -0.08 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.35 3ifj s VAL 31 CO 0.18 0.00 0.32 -0.69 -0.31 0.00 0.00 175.10 174.60 3ifj s VAL 32 N -3.46 5.27 0.02 1.32 1.01 -1.25 -1.52 120.40 121.79 3ifj s VAL 32 Ca 0.34 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.99 3ifj s VAL 32 Cb 0.03 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3ifj s VAL 32 CO 0.21 0.42 -0.15 0.00 0.00 0.00 0.00 175.10 175.57 3ifj s ALA 33 N 0.18 1.29 -0.10 5.51 0.00 0.12 -0.80 121.76 127.98 3ifj s ALA 33 Ca 0.18 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 51.20 3ifj s ALA 33 Cb -0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 3ifj s ALA 33 CO 0.06 0.28 0.33 0.00 0.00 0.00 0.00 175.76 176.42 3ifj s ALA 34 N -0.68 3.66 0.76 0.00 0.00 -1.26 -0.15 121.76 124.08 3ifj s ALA 34 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3ifj s ALA 34 Cb -0.07 -2.35 0.15 0.00 0.00 0.00 0.00 23.12 20.84 3ifj s ALA 34 CO 0.01 0.29 1.02 0.00 0.00 0.00 0.00 175.76 177.08 3ifj n ALA 35 N 2.76 0.07 -0.19 0.00 0.00 0.10 -4.71 120.51 118.54 3ifj n ALA 35 Ca -0.13 -1.94 -0.01 0.00 0.00 0.00 0.00 53.44 51.36 3ifj n ALA 35 Cb 0.52 0.29 0.09 0.00 0.00 0.00 0.00 19.45 20.36 3ifj n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3ifj h LYS 36 N 0.00 0.32 0.00 0.00 3.64 -1.95 -1.88 116.57 116.70 3ifj h LYS 36 Ca -0.34 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3ifj h LYS 36 Cb 1.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3ifj h LYS 36 CO 0.35 0.21 0.00 -0.40 -2.27 0.00 0.00 179.45 177.34 3ifj n ASP 37 N -5.05 0.00 0.00 4.20 5.68 -1.26 -4.87 116.55 115.25 3ifj n ASP 37 Ca 0.08 -1.70 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3ifj n ASP 37 Cb 0.27 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 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 0.53 0.82 3.86 6.12 0.00 -0.71 -5.04 105.19 110.78 3ifj n GLY 38 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.18 4.64 -0.02 2.61 -4.23 -1.26 -4.69 115.64 109.51 3ifj s THR 39 Ca 0.00 0.97 -0.00 0.00 -1.18 0.00 0.00 61.69 61.48 3ifj s THR 39 Cb 0.00 -3.75 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 3ifj s THR 39 CO 0.00 -0.73 0.05 -0.76 -0.54 0.00 0.00 174.62 172.64 3ifj s LEU 40 N -4.23 3.78 0.06 4.79 1.43 -1.26 -0.72 118.68 122.52 3ifj s LEU 40 Ca 0.56 0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.73 3ifj s LEU 40 Cb -0.10 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3ifj s LEU 40 CO 0.36 0.29 0.09 -1.00 0.23 0.00 0.00 176.35 176.32 3ifj s HIS 41 N -1.12 0.29 -0.09 0.29 3.76 0.79 -4.95 115.29 114.27 3ifj s HIS 41 Ca 0.20 -0.72 -0.23 0.00 -0.15 0.00 0.00 55.06 54.17 3ifj s HIS 41 Cb -0.12 -0.20 -0.04 0.00 1.11 0.00 0.00 32.58 33.34 3ifj s HIS 41 CO 0.11 -0.43 0.67 0.00 -0.85 0.00 0.00 174.74 174.24 3ifj s ALA 42 N -3.46 3.38 0.02 -1.40 0.00 -1.26 0.15 121.76 119.18 3ifj s ALA 42 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 3ifj s ALA 42 Cb 0.04 -2.92 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3ifj s ALA 42 CO -0.09 -0.14 -0.02 1.03 0.00 0.00 0.00 175.76 176.54 3ifj s ARG 43 N 0.91 0.25 0.29 0.00 1.81 -0.58 -4.94 118.95 116.70 3ifj s ARG 43 Ca 0.35 -0.48 -0.19 0.00 -1.72 0.00 0.00 55.73 53.69 3ifj s ARG 43 Cb -0.17 0.09 -0.09 0.00 -0.45 0.00 0.00 34.95 34.33 3ifj s ARG 43 CO 0.16 -0.04 0.78 -1.25 -0.68 0.00 0.00 175.30 174.27 3ifj s PRO 44 N -1.16 4.22 0.11 3.54 0.04 -1.26 -0.50 135.00 139.98 3ifj s PRO 44 Ca -0.13 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.51 3ifj s PRO 44 Cb -0.08 -2.65 -0.06 0.00 0.04 0.00 0.00 34.50 31.75 3ifj s PRO 44 CO -0.01 0.25 1.04 0.08 0.04 0.00 0.00 177.00 178.41 3ifj s VAL 45 N -1.76 4.28 -0.02 -0.36 1.01 -0.35 -1.36 120.40 121.84 3ifj s VAL 45 Ca 0.50 1.84 0.00 0.00 0.00 0.00 0.00 61.98 64.33 3ifj s VAL 45 Cb -0.14 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 3ifj s VAL 45 CO 0.19 0.26 0.10 1.33 0.00 0.00 0.00 175.10 176.99 3ifj n VAL 46 N 2.91 0.00 -3.80 2.92 0.24 0.13 -4.75 118.33 115.98 3ifj n VAL 46 Ca 0.04 -0.49 -0.12 0.00 -2.04 0.00 0.00 64.34 61.72 3ifj n VAL 46 Cb 0.48 1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.86 -0.13 -0.04 -1.34 0.01 -1.17 -4.95 113.70 105.23 3ifj s SER 47 Ca 0.00 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.35 3ifj s SER 47 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.55 3ifj s SER 47 CO 0.01 -0.36 -0.11 0.26 0.41 0.00 0.00 173.24 173.45 3ifj s TRP 48 N -1.11 1.19 -0.04 2.43 0.51 -1.26 -1.29 118.94 119.37 3ifj s TRP 48 Ca -0.12 -0.33 0.02 0.00 -2.12 0.00 0.00 56.10 53.55 3ifj s TRP 48 Cb -0.06 -0.85 0.01 0.00 -0.81 0.00 0.00 33.47 31.77 3ifj s TRP 48 CO 0.03 -0.14 -0.09 -0.06 -0.51 0.00 0.00 176.95 176.17 3ifj s PHE 49 N 0.25 1.11 -0.52 -1.98 0.40 0.20 -5.00 117.98 112.43 3ifj s PHE 49 Ca -0.05 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 3ifj s PHE 49 Cb -0.11 -0.83 0.13 0.00 0.51 0.00 0.00 43.02 42.73 3ifj s PHE 49 CO 0.01 -0.18 0.44 0.34 0.70 0.00 0.00 175.22 176.53 3ifj s ASP 50 N 0.50 5.96 0.00 1.36 -1.08 -1.26 -1.78 116.67 120.36 3ifj s ASP 50 Ca -0.09 -1.93 0.13 0.00 -0.52 0.00 0.00 52.55 50.14 3ifj s ASP 50 Cb -0.12 -2.10 0.55 0.00 -1.46 0.00 0.00 42.92 39.79 3ifj s ASP 50 CO 0.02 -0.75 1.39 0.00 0.52 0.00 0.00 175.17 176.34 3ifj n GLN 51 N 4.96 1.39 -0.20 4.34 1.13 -0.32 -5.01 117.38 123.67 3ifj n GLN 51 Ca -0.09 -0.60 0.03 0.00 -1.94 0.00 0.00 57.00 54.40 3ifj n GLN 51 Cb 0.41 -1.24 -0.01 0.00 0.11 0.00 0.00 30.24 29.51 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 0.88 -1.91 3.71 1.08 0.00 -1.22 -4.75 105.19 102.98 3ifj n GLY 52 Ca 0.11 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.59 4.91 0.25 2.61 2.01 -1.26 -0.35 115.64 123.22 3ifj s THR 53 Ca 0.00 1.91 -0.09 0.00 0.31 0.00 0.00 61.69 63.82 3ifj s THR 53 Cb 0.00 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 3ifj s THR 53 CO 0.00 0.18 0.41 -0.13 -0.69 0.00 0.00 174.62 174.40 3ifj s ARG 54 N 0.96 1.54 0.18 4.92 0.52 0.12 -4.90 118.95 122.30 3ifj s ARG 54 Ca 0.49 -1.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.00 3ifj s ARG 54 Cb -0.20 0.43 -0.08 0.00 0.52 0.00 0.00 34.95 35.62 3ifj s ARG 54 CO 0.26 -0.62 1.06 -0.51 0.02 0.00 0.00 175.30 175.50 3ifj s ASP 55 N -3.07 7.35 0.02 0.23 1.01 -1.26 -1.06 116.67 119.89 3ifj s ASP 55 Ca 0.27 2.04 0.01 0.00 0.71 0.00 0.00 52.55 55.57 3ifj s ASP 55 Cb 0.01 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 3ifj s ASP 55 CO 0.11 -0.14 -0.05 0.68 0.21 0.00 0.00 175.17 175.98 3ifj s VAL 56 N -0.39 0.29 0.33 -1.27 -7.23 0.49 -4.31 120.40 108.30 3ifj s VAL 56 Ca 0.47 -0.80 0.09 0.00 -1.81 0.00 0.00 61.98 59.94 3ifj s VAL 56 Cb -0.28 -0.37 -0.05 0.00 0.56 0.00 0.00 36.38 36.23 3ifj s VAL 56 CO 0.34 -0.34 -0.02 0.27 -0.31 0.00 0.00 175.10 175.04 3ifj s ILE 57 N -1.13 2.64 0.08 -0.62 -4.36 -0.15 -1.29 121.20 116.37 3ifj s ILE 57 Ca -0.10 -2.04 0.09 0.00 -0.26 0.00 0.00 60.65 58.34 3ifj s ILE 57 Cb -0.08 -2.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.86 3ifj s ILE 57 CO -0.00 -0.23 -0.22 -0.83 0.24 0.00 0.00 174.94 173.89 3ifj s GLY 58 N -3.68 1.56 -0.18 6.27 0.00 -1.07 -1.69 107.32 108.53 3ifj s GLY 58 Ca 0.34 -1.32 0.01 0.00 0.00 0.00 0.00 44.72 43.74 3ifj s GLY 58 CO 0.19 -1.25 -0.12 1.08 0.00 0.00 0.00 173.10 172.99 3ifj s LEU 59 N -1.71 2.08 -0.23 0.66 1.43 -0.22 -0.16 118.68 120.54 3ifj s LEU 59 Ca 0.14 -0.74 -0.16 0.00 -1.03 0.00 0.00 54.13 52.35 3ifj s LEU 59 Cb -0.10 -1.24 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 3ifj s LEU 59 CO 0.06 -0.10 0.41 -0.60 0.23 0.00 0.00 176.35 176.35 3ifj s ARG 60 N 1.42 4.11 0.14 1.70 3.52 0.20 -1.51 118.95 128.53 3ifj s ARG 60 Ca 0.01 0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 3ifj s ARG 60 Cb -0.15 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3ifj s ARG 60 CO -0.09 -0.16 0.29 0.42 -0.81 0.00 0.00 175.30 174.94 3ifj s ILE 61 N 1.70 5.32 0.13 4.11 -1.09 0.35 -0.04 121.20 131.67 3ifj s ILE 61 Ca 0.18 -0.54 -0.34 0.00 -2.23 0.00 0.00 60.65 57.72 3ifj s ILE 61 Cb -0.15 -3.71 -0.14 0.00 -1.58 0.00 0.00 42.46 36.88 3ifj s ILE 61 CO 0.09 -0.04 1.59 0.00 -1.23 0.00 0.00 174.94 175.34 3ifj n ALA 62 N -0.34 1.13 0.00 9.38 0.00 -0.39 -1.21 120.51 129.08 3ifj n ALA 62 Ca -0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3ifj n ALA 62 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 3.45 2.44 0.00 0.00 0.00 -1.26 -4.70 105.19 105.12 3ifj n GLY 63 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 2.88 3.77 -0.02 0.00 -0.35 -5.09 105.19 106.02 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 -2.52 3.22 -0.14 4.61 0.00 -1.25 -4.79 121.76 120.89 3ifj s ALA 65 Ca 0.00 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 3ifj s ALA 65 Cb 0.00 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.69 3ifj s ALA 65 CO 0.00 -0.74 -0.09 0.42 0.00 0.00 0.00 175.76 175.35 3ifj s ILE 66 N -1.31 1.19 -0.17 0.00 1.01 -1.26 -0.50 121.20 120.17 3ifj s ILE 66 Ca 0.57 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 3ifj s ILE 66 Cb -0.36 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 3ifj s ILE 66 CO 0.46 0.32 0.02 0.54 0.00 0.00 0.00 174.94 176.27 3ifj s VAL 67 N 1.63 4.39 -0.19 2.92 0.11 -0.57 -4.92 120.40 123.77 3ifj s VAL 67 Ca 0.04 -0.18 -0.04 0.00 -2.93 0.00 0.00 61.98 58.86 3ifj s VAL 67 Cb -0.13 -2.95 -0.02 0.00 -1.53 0.00 0.00 36.38 31.74 3ifj s VAL 67 CO -0.09 0.48 -0.02 0.26 -3.33 0.00 0.00 175.10 172.41 3ifj s TRP 68 N 0.29 3.02 0.13 1.54 0.52 -1.26 -1.06 118.94 122.13 3ifj s TRP 68 Ca 0.00 -0.47 -0.12 0.00 0.02 0.00 0.00 56.10 55.54 3ifj s TRP 68 Cb -0.13 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.15 3ifj s TRP 68 CO 0.01 -0.22 0.31 0.00 0.02 0.00 0.00 176.95 177.07 3ifj s ALA 69 N 0.88 -0.43 0.51 0.98 0.00 -0.68 -0.94 121.76 122.08 3ifj s ALA 69 Ca 0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 3ifj s ALA 69 Cb -0.14 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.60 3ifj s ALA 69 CO 0.02 -0.62 1.25 0.95 0.00 0.00 0.00 175.76 177.36 3ifj s THR 70 N -3.88 2.61 0.66 0.00 -4.23 -0.37 -0.98 115.64 109.45 3ifj s THR 70 Ca 0.08 0.45 0.36 0.00 -1.18 0.00 0.00 61.69 61.40 3ifj s THR 70 Cb 0.03 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 71.01 3ifj s THR 70 CO -0.07 -0.02 2.11 1.55 -0.54 0.00 0.00 174.62 177.65 3ifj h PRO 71 N 1.66 0.00 0.00 3.99 0.13 -1.92 -0.72 132.00 135.14 3ifj h PRO 71 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3ifj h PRO 71 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3ifj h PRO 71 CO 0.58 0.00 -0.53 0.38 -0.23 0.00 0.00 178.00 178.20 3ifj h ASP 72 N 0.00 0.00 -2.50 1.44 2.03 -1.93 0.37 116.42 115.82 3ifj h ASP 72 Ca 0.01 -0.17 -0.54 0.00 -0.73 0.00 0.00 57.03 55.60 3ifj h ASP 72 Cb 0.40 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.96 3ifj h ASP 72 CO -0.00 0.08 0.98 1.57 -1.03 0.00 0.00 179.24 180.84 3ifj n HIS 73 N -2.19 2.59 -2.80 4.15 -0.00 -0.28 -4.58 115.22 112.11 3ifj n HIS 73 Ca 0.03 0.06 -0.41 0.00 0.46 0.00 0.00 57.72 57.87 3ifj n HIS 73 Cb 0.45 -2.65 -0.04 0.00 -0.12 0.00 0.00 29.99 27.62 3ifj n HIS 73 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3ifj s LYS 74 N 1.49 4.61 0.02 1.57 1.02 -1.26 -0.24 119.74 126.95 3ifj s LYS 74 Ca 0.78 1.32 0.07 0.00 0.02 0.00 0.00 55.97 58.17 3ifj s LYS 74 Cb -0.55 -3.39 -0.03 0.00 -0.52 0.00 0.00 37.83 33.34 3ifj s LYS 74 CO 0.35 0.18 -0.21 0.08 -0.92 0.00 0.00 175.35 174.83 3ifj s VAL 75 N 0.20 2.52 -0.19 3.17 1.01 0.57 -0.68 120.40 127.00 3ifj s VAL 75 Ca 0.45 -1.17 -0.25 0.00 0.00 0.00 0.00 61.98 61.01 3ifj s VAL 75 Cb -0.22 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 3ifj s VAL 75 CO 0.27 0.42 0.84 -0.22 0.00 0.00 0.00 175.10 176.41 3ifj s LEU 76 N -1.15 4.15 0.49 3.92 2.96 -0.52 -1.41 118.68 127.11 3ifj s LEU 76 Ca 0.13 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.20 3ifj s LEU 76 Cb -0.10 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.34 3ifj s LEU 76 CO 0.03 -0.43 0.04 0.42 -1.32 0.00 0.00 176.35 175.08 3ifj s THR 77 N 2.34 0.97 0.59 3.68 -4.23 0.38 -0.26 115.64 119.12 3ifj s THR 77 Ca 0.38 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.18 3ifj s THR 77 Cb -0.16 -2.18 0.36 0.00 1.34 0.00 0.00 72.50 71.85 3ifj s THR 77 CO 0.11 0.00 2.22 1.05 -0.54 0.00 0.00 174.62 177.46 3ifj h GLU 78 N 1.45 0.00 -0.55 3.99 4.11 -1.85 -0.74 114.58 120.99 3ifj h GLU 78 Ca -0.41 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.87 3ifj h GLU 78 Cb 1.31 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 3ifj h GLU 78 CO 0.69 0.00 0.14 0.66 0.07 0.00 0.00 179.01 180.56 3ifj n TYR 79 N -3.84 1.85 -1.80 2.06 4.01 -1.26 -5.08 117.16 113.10 3ifj n TYR 79 Ca -0.02 -1.16 0.00 0.00 -0.16 0.00 0.00 57.90 56.56 3ifj n TYR 79 Cb 0.14 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.62 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 -0.36 -1.77 3.73 2.72 0.00 -0.29 -4.91 105.19 104.31 3ifj n GLY 80 Ca 0.34 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 3.37 -0.04 1.61 0.52 -1.26 -0.47 118.94 122.67 3ifj s TRP 81 Ca 0.00 1.29 -0.07 0.00 0.02 0.00 0.00 56.10 57.35 3ifj s TRP 81 Cb 0.00 -3.50 0.01 0.00 -1.15 0.00 0.00 33.47 28.84 3ifj s TRP 81 CO 0.00 -1.51 0.17 1.03 0.02 0.00 0.00 176.95 176.66 3ifj s ARG 82 N 0.26 0.30 0.31 4.98 0.52 -0.50 -4.95 118.95 119.87 3ifj s ARG 82 Ca 0.56 0.04 -0.29 0.00 -0.52 0.00 0.00 55.73 55.52 3ifj s ARG 82 Cb -0.33 0.14 -0.10 0.00 0.52 0.00 0.00 34.95 35.17 3ifj s ARG 82 CO 0.34 -0.06 1.31 0.00 0.02 0.00 0.00 175.30 176.91 3ifj s ALA 83 N -0.39 3.51 0.36 2.13 0.00 -1.26 -0.31 121.76 125.79 3ifj s ALA 83 Ca -0.05 1.23 0.11 0.00 0.00 0.00 0.00 51.96 53.25 3ifj s ALA 83 Cb -0.03 -3.48 0.88 0.00 0.00 0.00 0.00 23.12 20.49 3ifj s ALA 83 CO 0.01 -0.61 1.85 0.00 0.00 0.00 0.00 175.76 177.01 3ifj h ALA 84 N 3.76 1.91 0.00 0.00 0.00 -0.34 -0.73 119.26 123.85 3ifj h ALA 84 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3ifj h ALA 84 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ifj h ALA 84 CO 0.68 -0.19 0.00 0.78 0.00 0.00 0.00 179.25 180.52 3ifj h GLY 85 N 0.63 0.00 1.34 0.00 0.00 -0.54 -2.51 103.07 101.99 3ifj h GLY 85 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3ifj h GLY 85 CO -0.23 0.00 -0.50 0.83 0.00 0.00 0.00 176.54 176.64 3ifj h GLU 86 N 0.00 0.00 -7.05 4.80 4.39 -1.36 -3.47 114.58 111.89 3ifj h GLU 86 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3ifj h GLU 86 Cb 0.31 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3ifj h GLU 86 CO 0.00 0.00 0.38 -0.51 -1.16 0.00 0.00 179.01 177.72 3ifj s LEU 87 N -4.35 3.91 0.14 1.33 1.43 -0.95 -5.05 118.68 115.14 3ifj s LEU 87 Ca 0.07 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 3ifj s LEU 87 Cb 0.13 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.82 3ifj s LEU 87 CO 0.70 -0.68 -0.03 -0.13 0.23 0.00 0.00 176.35 176.43 3ifj s ARG 88 N -3.09 0.99 0.22 1.70 1.81 -1.26 -5.02 118.95 114.29 3ifj s ARG 88 Ca 0.65 -1.44 -0.31 0.00 -1.72 0.00 0.00 55.73 52.90 3ifj s ARG 88 Cb -0.16 -0.25 -0.15 0.00 -0.45 0.00 0.00 34.95 33.94 3ifj s ARG 88 CO 0.20 -0.07 1.23 1.17 -0.68 0.00 0.00 175.30 177.15 3ifj n LYS 89 N -0.15 1.51 0.00 3.54 4.81 -1.26 -1.56 118.16 125.05 3ifj n LYS 89 Ca -0.09 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 3ifj n LYS 89 Cb 0.62 -2.07 0.00 0.00 0.02 0.00 0.00 35.03 33.60 3ifj n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ifj n GLY 90 N 1.92 2.95 3.77 3.14 0.00 -0.00 -4.98 105.19 111.99 3ifj n GLY 90 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 0.18 5.55 -0.17 1.61 1.01 -0.60 -4.59 116.67 119.65 3ifj s ASP 91 Ca 0.00 2.22 -0.06 0.00 0.71 0.00 0.00 52.55 55.42 3ifj s ASP 91 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 3ifj s ASP 91 CO 0.00 -1.34 0.02 -0.13 0.21 0.00 0.00 175.17 173.93 3ifj s ARG 92 N -3.34 3.83 0.14 8.23 0.52 -1.26 -0.70 118.95 126.37 3ifj s ARG 92 Ca 0.74 -0.42 0.07 0.00 -0.52 0.00 0.00 55.73 55.59 3ifj s ARG 92 Cb -0.25 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.09 3ifj s ARG 92 CO 0.29 0.25 -0.02 0.14 0.02 0.00 0.00 175.30 175.98 3ifj s VAL 93 N 0.40 3.72 0.26 3.52 -7.23 -0.32 -2.72 120.40 118.03 3ifj s VAL 93 Ca -0.00 -1.28 -0.29 0.00 -1.81 0.00 0.00 61.98 58.59 3ifj s VAL 93 Cb -0.13 -2.82 -0.09 0.00 0.56 0.00 0.00 36.38 33.90 3ifj s VAL 93 CO 0.01 -0.01 1.18 0.00 -0.31 0.00 0.00 175.10 175.98 3ifj s ALA 94 N -1.51 3.44 0.11 1.32 0.00 0.65 -1.14 121.76 124.62 3ifj s ALA 94 Ca 0.26 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 53.20 3ifj s ALA 94 Cb -0.10 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3ifj s ALA 94 CO 0.17 -0.34 0.05 0.14 0.00 0.00 0.00 175.76 175.79 3ifj s VAL 95 N -0.77 0.13 -0.28 0.00 -7.23 0.13 -1.30 120.40 111.08 3ifj s VAL 95 Ca 0.48 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.70 3ifj s VAL 95 Cb -0.34 -1.90 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3ifj s VAL 95 CO 0.42 -0.58 0.19 -0.60 -0.31 0.00 0.00 175.10 174.21 3ifj s ARG 96 N -4.01 3.93 0.03 4.82 3.52 0.13 -0.77 118.95 126.60 3ifj s ARG 96 Ca 0.19 -0.33 -0.30 0.00 -0.13 0.00 0.00 55.73 55.16 3ifj s ARG 96 Cb 0.07 -3.65 -0.07 0.00 -1.56 0.00 0.00 34.95 29.74 3ifj s ARG 96 CO -0.01 -0.19 1.65 0.34 -0.81 0.00 0.00 175.30 176.28 3ifj s ASP 97 N 1.75 6.63 0.53 -2.12 2.15 0.18 -4.88 116.67 120.91 3ifj s ASP 97 Ca 0.07 2.40 0.18 0.00 0.43 0.00 0.00 52.55 55.63 3ifj s ASP 97 Cb -0.16 -2.55 1.37 0.00 -0.30 0.00 0.00 42.92 41.28 3ifj s ASP 97 CO 0.11 -0.89 2.17 0.58 -0.17 0.00 0.00 175.17 176.96 3ifj h VAL 98 N 5.09 0.92 0.00 1.11 2.07 -1.96 0.15 116.25 123.62 3ifj h VAL 98 Ca -0.42 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.92 3ifj h VAL 98 Cb 1.20 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3ifj h VAL 98 CO 0.93 0.00 -1.01 -0.33 0.02 0.00 0.00 177.57 177.19 3ifj h GLU 99 N 0.00 0.00 0.00 1.57 5.08 -1.98 -3.40 114.58 115.85 3ifj h GLU 99 Ca 0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3ifj h GLU 99 Cb 0.01 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 3ifj h GLU 99 CO -0.00 0.94 -1.17 1.79 -1.00 0.00 0.00 179.01 179.56 3ifj h THR 100 N -1.00 1.51 0.00 1.13 1.35 -1.97 -3.47 112.91 110.45 3ifj h THR 100 Ca -0.27 -3.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.34 3ifj h THR 100 Cb 1.20 2.75 0.00 0.00 -1.73 0.00 0.00 68.15 70.37 3ifj h THR 100 CO -0.16 0.86 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 3ifj n GLY 101 N 1.40 0.71 3.94 5.82 0.00 0.51 -5.01 105.19 112.56 3ifj n GLY 101 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.22 3.49 0.11 1.61 2.02 -1.26 -4.71 118.70 119.76 3ifj s GLU 102 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 3ifj s GLU 102 Cb 0.00 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.46 3ifj s GLU 102 CO 0.00 0.21 1.04 -1.17 0.02 0.00 0.00 175.26 175.36 3ifj s LEU 404 N -4.11 4.46 0.00 1.80 1.98 -1.26 -0.65 118.68 120.91 3ifj s LEU 404 Ca 0.39 1.91 -0.02 0.00 -2.89 0.00 0.00 54.13 53.52 3ifj s LEU 404 Cb -0.10 -3.59 0.01 0.00 0.66 0.00 0.00 46.19 43.17 3ifj s LEU 404 CO 0.34 -0.19 0.30 -2.11 -1.89 0.00 0.00 176.35 172.79 3ifj n ARG 405 N 2.92 0.43 -5.16 1.98 1.85 0.05 -4.93 116.66 113.80 3ifj n ARG 405 Ca 0.04 -1.47 -0.31 0.00 -1.00 0.00 0.00 57.85 55.11 3ifj n ARG 405 Cb 0.48 1.48 -0.15 0.00 -1.05 0.00 0.00 32.46 33.21 3ifj n ARG 405 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3ifj s TYR 406 N -4.13 2.35 0.01 2.89 2.02 -1.26 0.19 117.35 119.41 3ifj s TYR 406 Ca 0.15 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.48 3ifj s TYR 406 Cb -0.01 -1.47 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3ifj s TYR 406 CO 0.11 0.03 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.84 3ifj s SER 407 N -0.83 1.78 0.29 2.29 0.01 -0.29 -4.92 113.70 112.03 3ifj s SER 407 Ca 0.11 -0.36 -0.29 0.00 1.31 0.00 0.00 55.95 56.72 3ifj s SER 407 Cb -0.10 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.87 3ifj s SER 407 CO 0.00 0.13 1.05 -0.69 0.41 0.00 0.00 173.24 174.14 3ifj s VAL 408 N -0.57 3.69 -0.34 3.43 1.01 -1.26 -1.17 120.40 125.19 3ifj s VAL 408 Ca 0.04 1.62 -0.27 0.00 0.00 0.00 0.00 61.98 63.38 3ifj s VAL 408 Cb -0.07 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.33 3ifj s VAL 408 CO 0.00 0.33 0.96 -0.63 0.00 0.00 0.00 175.10 175.76 3ifj s ILE 409 N -1.26 4.59 -0.00 2.22 1.01 0.12 -1.27 121.20 126.60 3ifj s ILE 409 Ca 0.46 1.41 0.12 0.00 0.00 0.00 0.00 60.65 62.65 3ifj s ILE 409 Cb -0.28 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.82 3ifj s ILE 409 CO 0.36 -0.47 1.42 0.03 0.00 0.00 0.00 174.94 176.29 3ifj h ARG 410 N 8.27 0.00 -1.78 2.79 2.47 -0.75 0.03 114.38 125.40 3ifj h ARG 410 Ca -0.22 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.51 3ifj h ARG 410 Cb 1.07 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.18 3ifj h ARG 410 CO 0.99 0.67 0.35 -2.00 0.56 0.00 0.00 179.97 180.54 3ifj s GLU 411 N -2.97 0.79 -0.23 0.04 2.12 -1.12 -4.84 118.70 112.50 3ifj s GLU 411 Ca 0.02 0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.64 3ifj s GLU 411 Cb 0.09 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.84 3ifj s GLU 411 CO 0.77 -0.22 0.01 0.08 -0.54 0.00 0.00 175.26 175.36 3ifj s VAL 412 N -0.81 3.87 0.15 3.70 1.01 -1.26 -0.62 120.40 126.44 3ifj s VAL 412 Ca -0.05 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 3ifj s VAL 412 Cb -0.01 -2.78 -0.07 0.00 0.00 0.00 0.00 36.38 33.52 3ifj s VAL 412 CO 0.04 0.39 0.50 -0.76 0.00 0.00 0.00 175.10 175.27 3ifj s LEU 413 N 1.42 4.29 0.67 3.92 2.01 0.78 -4.95 118.68 126.81 3ifj s LEU 413 Ca 0.05 0.92 -0.17 0.00 0.01 0.00 0.00 54.13 54.94 3ifj s LEU 413 Cb -0.15 -3.32 -0.00 0.00 0.01 0.00 0.00 46.19 42.73 3ifj s LEU 413 CO 0.01 0.07 1.20 -2.65 1.01 0.00 0.00 176.35 175.98 3ifj n PRO 414 N 0.50 0.90 -2.10 1.29 -0.02 -1.26 -2.60 135.00 131.71 3ifj n PRO 414 Ca -0.04 0.36 -0.37 0.00 -2.02 0.00 0.00 63.50 61.43 3ifj n PRO 414 Cb 0.52 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3ifj n PRO 414 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3ifj s THR 415 N -1.54 2.77 0.18 3.45 -1.32 -1.26 -4.48 115.64 113.45 3ifj s THR 415 Ca 0.80 0.57 -0.16 0.00 -1.21 0.00 0.00 61.69 61.69 3ifj s THR 415 Cb -0.37 -3.29 0.02 0.00 -1.51 0.00 0.00 72.50 67.36 3ifj s THR 415 CO 0.43 -0.02 0.47 0.00 -2.21 0.00 0.00 174.62 173.30 3ifj s ARG 416 N -2.81 1.30 0.14 7.08 1.70 -0.41 -4.94 118.95 121.01 3ifj s ARG 416 Ca 0.67 -0.88 -0.22 0.00 -0.47 0.00 0.00 55.73 54.83 3ifj s ARG 416 Cb -0.32 0.49 -0.08 0.00 -0.57 0.00 0.00 34.95 34.48 3ifj s ARG 416 CO 0.38 -0.54 0.69 1.03 -1.08 0.00 0.00 175.30 175.79 3ifj s ARG 417 N -3.88 4.38 -0.02 3.89 1.81 -1.26 -0.38 118.95 123.50 3ifj s ARG 417 Ca 0.09 0.96 -0.28 0.00 -1.72 0.00 0.00 55.73 54.77 3ifj s ARG 417 Cb 0.00 -3.20 0.09 0.00 -0.45 0.00 0.00 34.95 31.40 3ifj s ARG 417 CO -0.04 0.57 0.79 0.00 -0.68 0.00 0.00 175.30 175.95 3ifj s ALA 418 N -1.19 -1.78 0.22 2.13 0.00 -0.22 -4.93 121.76 115.98 3ifj s ALA 418 Ca 0.34 1.11 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 3ifj s ALA 418 Cb -0.21 0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 3ifj s ALA 418 CO 0.23 -0.54 1.31 1.03 0.00 0.00 0.00 175.76 177.79 3ifj s ARG 419 N -2.29 4.39 0.16 0.00 1.81 -1.26 -0.70 118.95 121.05 3ifj s ARG 419 Ca -0.02 2.08 0.09 0.00 -1.72 0.00 0.00 55.73 56.16 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 -0.02 -0.24 -0.20 0.95 -0.68 0.00 0.00 175.30 175.11 3ifj s THR 420 N -0.04 1.88 0.15 0.02 -4.23 0.52 -0.66 115.64 113.29 3ifj s THR 420 Ca 0.56 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3ifj s THR 420 Cb -0.37 -1.84 -0.04 0.00 1.34 0.00 0.00 72.50 71.59 3ifj s THR 420 CO 0.40 -0.23 0.07 -0.31 -0.54 0.00 0.00 174.62 174.00 3ifj s TYR 421 N -1.82 0.97 -0.01 3.99 1.51 0.21 -1.18 117.35 121.03 3ifj s TYR 421 Ca 0.15 -1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 54.91 3ifj s TYR 421 Cb -0.07 -0.53 0.00 0.00 -0.11 0.00 0.00 41.96 41.25 3ifj s TYR 421 CO 0.07 -0.51 0.11 -0.51 -1.11 0.00 0.00 175.55 173.60 3ifj s ASP 422 N -3.09 0.02 -0.01 2.29 1.01 -0.74 -0.36 116.67 115.80 3ifj s ASP 422 Ca 0.28 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.42 3ifj s ASP 422 Cb 0.07 0.21 -0.01 0.00 1.01 0.00 0.00 42.92 44.20 3ifj s ASP 422 CO 0.04 -0.29 -0.11 -0.76 0.21 0.00 0.00 175.17 174.26 3ifj s LEU 423 N -1.09 1.99 -0.20 1.23 1.43 -1.26 -0.63 118.68 120.15 3ifj s LEU 423 Ca -0.12 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3ifj s LEU 423 Cb -0.07 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3ifj s LEU 423 CO 0.01 0.13 0.10 -1.61 0.23 0.00 0.00 176.35 175.20 3ifj s GLU 424 N -0.20 4.02 -0.20 1.70 0.41 -0.41 -4.97 118.70 119.05 3ifj s GLU 424 Ca 0.03 -0.31 -0.06 0.00 -0.41 0.00 0.00 54.97 54.22 3ifj s GLU 424 Cb -0.05 -3.33 -0.03 0.00 -1.78 0.00 0.00 34.13 28.95 3ifj s GLU 424 CO -0.00 0.21 0.02 0.08 -0.49 0.00 0.00 175.26 175.07 3ifj s VAL 425 N 0.59 4.13 0.12 2.63 1.01 -1.26 0.23 120.40 127.84 3ifj s VAL 425 Ca 0.05 -0.26 -0.35 0.00 0.00 0.00 0.00 61.98 61.42 3ifj s VAL 425 Cb -0.12 -2.87 -0.15 0.00 0.00 0.00 0.00 36.38 33.24 3ifj s VAL 425 CO 0.01 0.43 1.47 1.21 0.00 0.00 0.00 175.10 178.22 3ifj n GLU 426 N 4.16 1.68 0.00 2.72 2.13 -0.46 -2.66 120.64 128.21 3ifj n GLU 426 Ca -0.17 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3ifj n GLU 426 Cb 0.52 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.91 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 3.04 0.00 0.19 5.31 2.13 -1.26 -4.44 120.64 125.61 3ifj n GLU 427 Ca 0.18 0.00 0.09 0.00 0.66 0.00 0.00 57.16 58.09 3ifj n GLU 427 Cb 0.24 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.07 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 1.93 4.31 3.38 -1.92 -3.48 115.31 119.54 3ifj h LEU 428 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3ifj h LEU 428 Cb 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3ifj h LEU 428 CO 0.00 0.15 -0.38 1.41 0.09 0.00 0.00 178.44 179.71 3ifj n HIS 429 N -3.11 -0.70 -4.20 1.13 8.25 -1.09 -4.91 115.22 110.59 3ifj n HIS 429 Ca 0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.37 3ifj n HIS 429 Cb 0.59 -3.24 -0.10 0.00 1.12 0.00 0.00 29.99 28.36 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 -2.66 0.49 -0.02 1.59 -4.23 -1.26 -4.75 115.64 104.80 3ifj s THR 430 Ca 0.00 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.27 3ifj s THR 430 Cb 0.00 -2.05 0.08 0.00 1.34 0.00 0.00 72.50 71.87 3ifj s THR 430 CO 0.00 -0.52 0.72 -1.48 -0.54 0.00 0.00 174.62 172.80 3ifj s LEU 431 N -3.12 -0.58 -0.23 4.79 2.34 -0.68 -4.47 118.68 116.73 3ifj s LEU 431 Ca 0.23 0.49 -0.17 0.00 0.06 0.00 0.00 54.13 54.73 3ifj s LEU 431 Cb 0.07 2.42 -0.03 0.00 -0.56 0.00 0.00 46.19 48.09 3ifj s LEU 431 CO 0.02 -0.65 0.48 -0.69 -1.06 0.00 0.00 176.35 174.45 3ifj s VAL 432 N -1.81 5.12 -0.10 1.48 1.01 0.02 -0.73 120.40 125.38 3ifj s VAL 432 Ca -0.06 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.76 3ifj s VAL 432 Cb -0.00 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.60 3ifj s VAL 432 CO 0.03 0.15 -0.12 0.00 0.00 0.00 0.00 175.10 175.16 3ifj s ALA 433 N 1.91 1.49 -1.58 5.51 0.00 0.29 -4.39 121.76 124.98 3ifj s ALA 433 Ca 0.21 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 3ifj s ALA 433 Cb -0.15 -0.82 0.00 0.00 0.00 0.00 0.00 23.12 22.15 3ifj s ALA 433 CO 0.09 -0.17 0.05 0.39 0.00 0.00 0.00 175.76 176.12 3ifj n GLU 434 N 4.40 -2.08 -0.10 0.00 -0.58 -0.18 -1.00 120.64 121.10 3ifj n GLU 434 Ca -0.18 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.46 3ifj n GLU 434 Cb 0.51 -5.56 0.00 0.00 -0.57 0.00 0.00 31.44 25.82 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 -1.00 2.42 3.84 0.62 0.00 -1.26 -4.83 105.19 104.99 3ifj n GLY 435 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.98 5.29 -0.44 1.61 1.01 -0.17 -0.69 120.40 124.03 3ifj s VAL 436 Ca 0.00 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 3ifj s VAL 436 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3ifj s VAL 436 CO 0.00 0.57 1.14 -0.69 0.00 0.00 0.00 175.10 176.12 3ifj s VAL 437 N -0.84 4.25 0.33 2.92 1.01 -0.42 -0.55 120.40 127.10 3ifj s VAL 437 Ca 0.18 1.31 0.10 0.00 0.00 0.00 0.00 61.98 63.58 3ifj s VAL 437 Cb -0.14 -4.55 -0.06 0.00 0.00 0.00 0.00 36.38 31.63 3ifj s VAL 437 CO 0.08 -0.89 -0.11 0.68 0.00 0.00 0.00 175.10 174.85 3ifj s VAL 438 N 4.34 2.31 -2.00 2.92 -7.23 0.09 -1.44 120.40 119.39 3ifj s VAL 438 Ca 0.48 -2.22 0.20 0.00 -1.81 0.00 0.00 61.98 58.63 3ifj s VAL 438 Cb -0.08 -2.60 0.58 0.00 0.56 0.00 0.00 36.38 34.83 3ifj s VAL 438 CO 0.29 -0.24 1.60 1.57 -0.31 0.00 0.00 175.10 178.01