#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5j s ILE 2 N 0.00 0.62 0.00 -0.61 -4.36 -1.26 -5.17 121.20 110.42 1a5j s ILE 2 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 1a5j s ILE 2 Cb 0.00 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1a5j s ILE 2 CO 0.00 0.00 0.00 -0.81 0.24 0.00 0.00 174.94 174.37 1a5j n PRO 3 N -0.73 0.83 -2.00 0.37 -0.04 -1.26 -5.01 135.00 127.15 1a5j n PRO 3 Ca -0.03 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.14 1a5j n PRO 3 Cb 0.65 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.16 1a5j n PRO 3 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1a5j s ASP 4 N -1.25 5.36 -0.07 3.54 2.15 -1.26 -3.99 116.67 121.16 1a5j s ASP 4 Ca 0.00 0.99 0.00 0.00 0.43 0.00 0.00 52.55 53.97 1a5j s ASP 4 Cb 0.00 -1.79 0.00 0.00 -0.30 0.00 0.00 42.92 40.83 1a5j s ASP 4 CO 0.00 -1.35 0.00 0.18 -0.17 0.00 0.00 175.17 173.83 1a5j n LEU 5 N -2.95 -0.03 0.09 -1.34 4.77 -1.26 -4.90 117.00 111.39 1a5j n LEU 5 Ca 0.07 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.03 1a5j n LEU 5 Cb 0.58 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1a5j n LEU 5 CO 0.56 -0.05 0.28 0.58 -1.33 0.00 0.00 177.39 177.43 1a5j h VAL 6 N 0.00 1.35 -0.08 4.08 2.07 -1.96 -1.93 116.25 119.78 1a5j h VAL 6 Ca -0.01 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.59 1a5j h VAL 6 Cb 0.06 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1a5j h VAL 6 CO 0.02 0.77 0.00 0.29 0.02 0.00 0.00 177.57 178.67 1a5j n LYS 7 N -3.30 1.41 0.00 1.57 4.01 -1.26 -4.06 118.16 116.54 1a5j n LYS 7 Ca 0.01 -0.39 0.00 0.00 -0.51 0.00 0.00 58.31 57.42 1a5j n LYS 7 Cb 0.85 -1.42 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5j n GLY 8 N 0.28 -1.83 3.69 0.72 0.00 -1.15 -5.13 105.19 101.78 1a5j n GLY 8 Ca 0.03 0.86 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 1a5j n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5j s PRO 9 N 0.00 4.37 0.74 1.61 0.04 -0.74 -4.91 135.00 136.12 1a5j s PRO 9 Ca 0.00 1.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.63 1a5j s PRO 9 Cb 0.00 -3.52 0.04 0.00 0.04 0.00 0.00 34.50 31.06 1a5j s PRO 9 CO 0.00 -0.41 1.08 -1.58 0.04 0.00 0.00 177.00 176.13 1a5j s TRP 10 N 1.98 2.85 0.27 0.56 0.52 -1.26 -5.04 118.94 118.82 1a5j s TRP 10 Ca 0.57 1.44 -0.13 0.00 0.02 0.00 0.00 56.10 57.99 1a5j s TRP 10 Cb -0.26 -2.98 0.00 0.00 -1.15 0.00 0.00 33.47 29.09 1a5j s TRP 10 CO 0.24 -1.55 0.54 0.95 0.02 0.00 0.00 176.95 177.15 1a5j s THR 11 N -3.00 0.00 0.52 2.01 -4.23 -1.26 -4.97 115.64 104.71 1a5j s THR 11 Ca 0.60 -1.34 0.44 0.00 -1.18 0.00 0.00 61.69 60.21 1a5j s THR 11 Cb -0.15 -2.28 0.66 0.00 1.34 0.00 0.00 72.50 72.07 1a5j s THR 11 CO 0.55 0.00 1.56 1.17 -0.54 0.00 0.00 174.62 177.37 1a5j n LYS 12 N -0.43 -0.01 0.09 3.99 3.00 -1.26 0.20 118.16 123.74 1a5j n LYS 12 Ca -0.02 1.14 -0.13 0.00 -0.00 0.00 0.00 58.31 59.30 1a5j n LYS 12 Cb 0.61 -2.49 -0.08 0.00 0.00 0.00 0.00 35.03 33.07 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1a5j h GLU 13 N 0.00 -0.17 -0.71 1.64 4.22 -1.98 0.35 114.58 117.93 1a5j h GLU 13 Ca 0.92 0.01 0.18 0.00 0.08 0.00 0.00 59.36 60.55 1a5j h GLU 13 Cb 3.46 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 32.71 1a5j h GLU 13 CO -0.17 -0.02 0.49 0.93 -2.18 0.00 0.00 179.01 178.06 1a5j h GLU 14 N -0.28 0.17 0.03 1.92 3.07 0.19 -0.20 114.58 119.47 1a5j h GLU 14 Ca -0.02 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.76 1a5j h GLU 14 Cb 0.22 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1a5j h GLU 14 CO 0.03 0.11 -0.30 -0.44 -1.40 0.00 0.00 179.01 177.01 1a5j h ASP 15 N 0.17 0.20 -0.30 1.42 5.19 -1.00 -2.26 116.42 119.85 1a5j h ASP 15 Ca 0.35 -0.89 0.09 0.00 -0.62 0.00 0.00 57.03 55.95 1a5j h ASP 15 Cb 1.12 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 1a5j h ASP 15 CO -0.06 1.08 0.39 0.06 -3.12 0.00 0.00 179.24 177.59 1a5j h GLN 16 N -0.64 0.00 0.00 3.56 -0.00 0.13 0.76 115.11 118.92 1a5j h GLN 16 Ca -0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.55 1a5j h GLN 16 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.63 1a5j h GLN 16 CO 0.06 0.00 -0.37 -0.22 -0.00 0.00 0.00 178.83 178.30 1a5j h LYS 17 N 0.00 0.00 -0.77 0.06 3.64 -1.10 -2.77 116.57 115.63 1a5j h LYS 17 Ca 0.14 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1a5j h LYS 17 Cb 0.92 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.69 1a5j h LYS 17 CO -0.00 0.66 0.51 0.28 -2.27 0.00 0.00 179.45 178.63 1a5j h VAL 18 N -1.00 0.98 0.00 2.00 2.07 -0.57 0.34 116.25 120.07 1a5j h VAL 18 Ca -0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a5j h VAL 18 Cb 0.80 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1a5j h VAL 18 CO -0.05 0.14 0.00 -0.38 0.02 0.00 0.00 177.57 177.29 1a5j n ILE 19 N -4.50 0.00 -0.32 4.57 -0.00 0.25 -0.50 119.36 118.86 1a5j n ILE 19 Ca 0.12 0.95 0.10 0.00 -0.00 0.00 0.00 62.75 63.92 1a5j n ILE 19 Cb 0.29 -1.80 0.22 0.00 -0.00 0.00 0.00 39.64 38.35 1a5j n ILE 19 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1a5j h GLU 20 N 0.00 0.03 0.20 0.38 4.81 -1.42 0.56 114.58 119.13 1a5j h GLU 20 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1a5j h GLU 20 Cb 0.00 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1a5j h GLU 20 CO 0.00 0.02 -0.35 -0.07 -0.73 0.00 0.00 179.01 177.88 1a5j h LEU 21 N 0.03 -0.99 -1.24 1.64 3.38 -0.36 0.42 115.31 118.19 1a5j h LEU 21 Ca 0.52 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.60 1a5j h LEU 21 Cb 0.99 0.36 0.00 0.00 0.09 0.00 0.00 40.66 42.10 1a5j h LEU 21 CO -0.88 -0.45 0.00 0.52 0.09 0.00 0.00 178.44 177.72 1a5j n VAL 22 N -5.44 1.05 0.54 1.22 0.31 0.13 0.16 118.33 116.29 1a5j n VAL 22 Ca -0.08 0.64 0.12 0.00 -0.01 0.00 0.00 64.34 65.01 1a5j n VAL 22 Cb 0.35 -1.62 0.13 0.00 -0.91 0.00 0.00 33.84 31.78 1a5j n VAL 22 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1a5j h LYS 23 N 0.00 0.00 0.00 5.55 1.57 0.40 -1.73 116.57 122.36 1a5j h LYS 23 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1a5j h LYS 23 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1a5j h LYS 23 CO 0.00 0.00 -1.50 1.17 -0.57 0.00 0.00 179.45 178.55 1a5j n LYS 24 N -2.11 0.40 -0.10 3.15 4.81 0.20 -4.69 118.16 119.81 1a5j n LYS 24 Ca 0.03 -0.10 -0.19 0.00 -0.87 0.00 0.00 58.31 57.19 1a5j n LYS 24 Cb 0.44 -1.26 -0.08 0.00 0.02 0.00 0.00 35.03 34.16 1a5j n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a5j n TYR 25 N -1.89 0.59 0.00 5.64 4.02 0.41 -5.08 117.16 120.86 1a5j n TYR 25 Ca -0.02 0.26 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 1a5j n TYR 25 Cb 0.30 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 38.70 1a5j n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5j n GLY 26 N 1.43 0.38 0.89 2.72 0.00 -0.65 -4.89 105.19 105.07 1a5j n GLY 26 Ca -0.30 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 1a5j n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5j n THR 27 N 0.00 0.00 -0.63 2.61 -2.24 -1.26 -4.46 114.28 108.30 1a5j n THR 27 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a5j n THR 27 Cb 0.00 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 1a5j n THR 27 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a5j n LYS 28 N 0.00 0.81 -3.97 -0.78 4.81 -1.26 -4.96 118.16 112.81 1a5j n LYS 28 Ca -0.22 -0.73 -0.30 0.00 -0.87 0.00 0.00 58.31 56.18 1a5j n LYS 28 Cb 0.61 -0.68 -0.14 0.00 0.02 0.00 0.00 35.03 34.84 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1a5j s GLN 29 N -0.29 1.76 0.00 1.64 1.11 -1.26 -4.89 119.66 117.73 1a5j s GLN 29 Ca 0.00 -2.31 0.28 0.00 0.01 0.00 0.00 55.36 53.34 1a5j s GLN 29 Cb 0.00 -3.25 1.15 0.00 -1.01 0.00 0.00 33.01 29.90 1a5j s GLN 29 CO 0.00 -1.04 1.82 0.91 0.01 0.00 0.00 175.29 176.99 1a5j n TRP 30 N 3.58 0.00 -0.04 0.91 7.02 -1.26 -3.66 117.44 123.98 1a5j n TRP 30 Ca 0.05 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.40 1a5j n TRP 30 Cb 0.36 -0.24 -0.08 0.00 -2.42 0.00 0.00 31.31 28.93 1a5j n TRP 30 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1a5j h THR 31 N 0.41 1.34 0.00 -0.99 2.02 -1.92 -2.03 112.91 111.73 1a5j h THR 31 Ca 0.00 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.03 1a5j h THR 31 Cb 0.39 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1a5j h THR 31 CO 0.00 0.32 0.33 0.17 0.37 0.00 0.00 175.52 176.71 1a5j h LEU 32 N -0.18 0.00 0.02 2.58 8.10 -1.96 2.04 115.31 125.91 1a5j h LEU 32 Ca 0.02 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.75 1a5j h LEU 32 Cb 0.55 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.73 1a5j h LEU 32 CO 0.02 0.00 -1.44 -0.38 -4.11 0.00 0.00 178.44 172.53 1a5j n ILE 33 N -2.33 1.57 -0.98 0.15 -0.00 -0.95 -3.34 119.36 113.49 1a5j n ILE 33 Ca -0.01 -0.13 -0.19 0.00 -0.00 0.00 0.00 62.75 62.42 1a5j n ILE 33 Cb 0.36 -1.99 0.18 0.00 -0.00 0.00 0.00 39.64 38.19 1a5j n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a5j n ALA 34 N -3.41 5.13 0.00 -1.39 0.00 0.83 -3.60 120.51 118.08 1a5j n ALA 34 Ca -0.33 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 50.59 1a5j n ALA 34 Cb 0.74 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1a5j n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a5j n LYS 35 N -0.82 0.53 0.00 0.00 4.81 0.66 -4.69 118.16 118.65 1a5j n LYS 35 Ca 0.51 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 58.08 1a5j n LYS 35 Cb 1.51 -0.85 0.40 0.00 0.02 0.00 0.00 35.03 36.12 1a5j n LYS 35 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1a5j n HIS 36 N -2.06 0.00 -3.55 5.64 8.25 -1.21 -4.65 115.22 117.63 1a5j n HIS 36 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.23 1a5j n HIS 36 Cb 0.35 -0.35 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 1a5j n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5j s LEU 37 N -2.99 0.14 -0.24 2.41 1.43 -1.24 -5.10 118.68 113.09 1a5j s LEU 37 Ca 0.12 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1a5j s LEU 37 Cb 0.18 0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.40 1a5j s LEU 37 CO 0.63 -0.34 0.18 -1.59 0.23 0.00 0.00 176.35 175.45 1a5j s LYS 38 N 2.22 4.07 0.00 1.70 0.00 -1.26 -4.52 119.74 121.95 1a5j s LYS 38 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 55.97 55.77 1a5j s LYS 38 Cb -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 37.83 34.13 1a5j s LYS 38 CO -0.11 0.04 0.00 0.41 0.00 0.00 0.00 175.35 175.69 1a5j n GLY 39 N 4.30 0.36 3.29 0.59 0.00 -1.26 -4.97 105.19 107.49 1a5j n GLY 39 Ca -0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 1a5j n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j s ARG 40 N 0.00 1.25 0.72 1.61 1.81 -1.26 -4.92 118.95 118.15 1a5j s ARG 40 Ca 0.00 -1.63 -0.11 0.00 -1.72 0.00 0.00 55.73 52.27 1a5j s ARG 40 Cb 0.00 -0.38 0.02 0.00 -0.45 0.00 0.00 34.95 34.14 1a5j s ARG 40 CO 0.00 -0.15 1.10 -0.51 -0.68 0.00 0.00 175.30 175.06 1a5j s LEU 41 N -3.25 2.87 -0.55 2.53 2.01 -1.26 -4.91 118.68 116.12 1a5j s LEU 41 Ca 0.28 1.14 -0.07 0.00 0.01 0.00 0.00 54.13 55.49 1a5j s LEU 41 Cb 0.06 -3.92 0.14 0.00 0.01 0.00 0.00 46.19 42.49 1a5j s LEU 41 CO 0.08 -1.41 0.41 -0.83 1.01 0.00 0.00 176.35 175.60 1a5j s GLY 42 N -4.32 2.23 0.00 -3.19 0.00 -1.26 -4.59 107.32 96.19 1a5j s GLY 42 Ca 0.58 -2.83 0.00 0.00 0.00 0.00 0.00 44.72 42.48 1a5j s GLY 42 CO 0.52 1.12 0.00 1.17 0.00 0.00 0.00 173.10 175.91 1a5j n LYS 43 N 4.38 0.00 -3.80 2.90 3.00 -1.26 -5.02 118.16 118.36 1a5j n LYS 43 Ca -0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1a5j n LYS 43 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.32 1a5j n LYS 43 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1a5j s GLN 44 N -1.45 2.10 0.00 1.64 -2.07 -1.26 -4.81 119.66 113.81 1a5j s GLN 44 Ca 0.00 -2.10 0.00 0.00 -1.82 0.00 0.00 55.36 51.44 1a5j s GLN 44 Cb 0.00 -3.56 0.00 0.00 -1.09 0.00 0.00 33.01 28.36 1a5j s GLN 44 CO 0.00 -1.09 0.00 0.00 -1.32 0.00 0.00 175.29 172.88 1a5j n ARG 46 N -1.35 3.70 -0.00 0.00 1.85 -1.26 -4.57 116.66 115.02 1a5j n ARG 46 Ca 0.00 -4.17 0.05 0.00 -1.00 0.00 0.00 57.85 52.73 1a5j n ARG 46 Cb 0.00 -2.74 -0.06 0.00 -1.05 0.00 0.00 32.46 28.61 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1a5j n GLU 47 N 3.42 2.63 0.00 2.89 2.13 -1.26 -4.35 120.64 126.11 1a5j n GLU 47 Ca 0.30 -0.03 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1a5j n GLU 47 Cb 0.38 -1.05 0.00 0.00 0.27 0.00 0.00 31.44 31.04 1a5j n GLU 47 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1a5j n ARG 48 N -1.44 0.00 -0.62 5.31 3.00 -1.26 -3.51 116.66 118.15 1a5j n ARG 48 Ca 0.01 0.00 0.49 0.00 -0.01 0.00 0.00 57.85 58.34 1a5j n ARG 48 Cb 0.19 0.00 0.80 0.00 0.00 0.00 0.00 32.46 33.45 1a5j n ARG 48 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.63 177.74 1a5j h TRP 49 N 0.00 0.03 0.49 -1.55 5.08 -1.94 0.46 115.95 118.52 1a5j h TRP 49 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 1a5j h TRP 49 Cb 0.00 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1a5j h TRP 49 CO 0.00 -0.01 -0.24 1.25 -1.28 0.00 0.00 178.44 178.16 1a5j h HIS 50 N 0.00 -0.61 -0.66 0.12 2.76 -1.79 -3.45 115.15 111.52 1a5j h HIS 50 Ca 0.86 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 59.01 1a5j h HIS 50 Cb 3.41 0.20 0.00 0.00 1.55 0.00 0.00 27.41 32.58 1a5j h HIS 50 CO -0.00 -0.38 0.00 0.09 -1.30 0.00 0.00 177.93 176.34 1a5j n ASN 51 N -3.92 0.00 0.00 3.26 3.02 0.16 -4.73 115.26 113.04 1a5j n ASN 51 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1a5j n ASN 51 Cb 0.26 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a5j n HIS 52 N 0.00 0.00 -2.30 3.10 8.25 -1.25 -4.73 115.22 118.28 1a5j n HIS 52 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1a5j n HIS 52 Cb 0.00 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1a5j n HIS 52 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1a5j s LEU 53 N 0.00 3.40 -0.40 2.41 0.20 -1.26 -4.48 118.68 118.54 1a5j s LEU 53 Ca 0.00 -1.86 0.03 0.00 0.69 0.00 0.00 54.13 52.99 1a5j s LEU 53 Cb 0.00 -2.58 0.28 0.00 -0.43 0.00 0.00 46.19 43.46 1a5j s LEU 53 CO 0.00 -2.19 1.13 -3.20 -0.29 0.00 0.00 176.35 171.80 1a5j n ASN 54 N 11.60 -1.98 -3.25 3.68 2.85 -1.26 -5.12 115.26 121.78 1a5j n ASN 54 Ca 0.45 -2.62 0.00 0.00 -0.11 0.00 0.00 54.58 52.30 1a5j n ASN 54 Cb 0.47 1.36 0.00 0.00 1.24 0.00 0.00 39.78 42.85 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1a5j n PRO 55 N 1.19 1.41 -2.26 1.20 -0.04 -1.26 -5.12 135.00 130.12 1a5j n PRO 55 Ca 0.03 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1a5j n PRO 55 Cb 0.69 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.14 1a5j n PRO 55 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1a5j n GLU 56 N 0.00 0.87 -0.07 0.54 2.13 -1.26 -5.04 120.64 117.81 1a5j n GLU 56 Ca 0.00 -0.37 -0.09 0.00 0.66 0.00 0.00 57.16 57.36 1a5j n GLU 56 Cb 0.00 0.21 0.07 0.00 0.27 0.00 0.00 31.44 31.99 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j h VAL 57 N 1.07 1.28 0.00 6.31 2.07 -1.87 -3.47 116.25 121.64 1a5j h VAL 57 Ca -0.03 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 66.02 1a5j h VAL 57 Cb 0.13 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1a5j h VAL 57 CO 0.05 0.48 0.00 2.29 0.02 0.00 0.00 177.57 180.41 1a5j n LYS 58 N -4.07 0.00 -1.88 1.57 2.85 -1.26 -5.09 118.16 110.27 1a5j n LYS 58 Ca -0.01 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.85 1a5j n LYS 58 Cb 0.49 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.84 1a5j n LYS 58 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 1a5j s LYS 59 N -2.00 2.85 2.15 -1.58 0.00 -1.26 -4.67 119.74 115.23 1a5j s LYS 59 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 55.97 57.20 1a5j s LYS 59 Cb 0.00 -4.35 0.00 0.00 0.00 0.00 0.00 37.83 33.48 1a5j s LYS 59 CO 0.00 -2.44 0.00 0.45 0.00 0.00 0.00 175.35 173.36 1a5j n SER 60 N 12.31 0.00 0.00 0.03 2.88 -1.26 -5.01 113.62 122.57 1a5j n SER 60 Ca 0.26 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 1a5j n SER 60 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a5j n SER 61 N 0.55 -0.17 -3.95 -3.46 7.64 -1.26 -4.64 113.62 108.34 1a5j n SER 61 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1a5j n SER 61 Cb 0.00 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.46 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1a5j s TRP 62 N 0.00 0.39 0.00 1.43 0.52 -1.26 -5.06 118.94 114.96 1a5j s TRP 62 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 56.10 56.92 1a5j s TRP 62 Cb 0.00 -3.05 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1a5j s TRP 62 CO 0.00 -4.36 0.00 0.25 0.02 0.00 0.00 176.95 172.86 1a5j n THR 63 N -5.21 0.00 0.00 2.01 -2.24 -1.26 -4.61 114.28 102.97 1a5j n THR 63 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1a5j n THR 63 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5j n GLU 64 N 0.00 0.00 -0.43 -0.78 -0.58 -1.26 -2.62 120.64 114.97 1a5j n GLU 64 Ca 0.00 0.03 0.35 0.00 -0.42 0.00 0.00 57.16 57.12 1a5j n GLU 64 Cb 0.00 -0.52 0.65 0.00 -0.57 0.00 0.00 31.44 31.00 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a5j h GLU 65 N 0.00 0.13 -0.57 3.49 5.08 -1.99 1.66 114.58 122.38 1a5j h GLU 65 Ca 0.00 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1a5j h GLU 65 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1a5j h GLU 65 CO 0.00 0.09 0.05 0.93 -1.00 0.00 0.00 179.01 179.07 1a5j h GLU 66 N 0.14 0.95 0.04 2.33 5.08 -1.98 0.26 114.58 121.39 1a5j h GLU 66 Ca 0.74 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1a5j h GLU 66 Cb 2.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1a5j h GLU 66 CO -0.27 0.91 -0.02 0.22 -1.00 0.00 0.00 179.01 178.85 1a5j h ASP 67 N 0.89 -0.04 0.58 1.42 1.82 0.26 -2.79 116.42 118.56 1a5j h ASP 67 Ca 0.17 -0.45 -0.03 0.00 -0.39 0.00 0.00 57.03 56.34 1a5j h ASP 67 Cb 0.46 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1a5j h ASP 67 CO 0.02 0.43 -0.33 0.03 -1.61 0.00 0.00 179.24 177.78 1a5j h ARG 68 N -0.53 -0.81 0.00 0.28 3.08 -0.98 0.42 114.38 115.84 1a5j h ARG 68 Ca -0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1a5j h ARG 68 Cb 0.48 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1a5j h ARG 68 CO 0.01 -0.54 0.00 -0.89 -1.07 0.00 0.00 179.97 177.48 1a5j n ILE 69 N -4.45 0.00 -0.14 2.04 5.41 0.91 0.20 119.36 123.32 1a5j n ILE 69 Ca -0.10 1.25 -0.04 0.00 1.00 0.00 0.00 62.75 64.86 1a5j n ILE 69 Cb 0.35 -1.67 0.02 0.00 -0.71 0.00 0.00 39.64 37.62 1a5j n ILE 69 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1a5j h ILE 70 N 0.00 0.40 -0.17 1.39 2.04 -1.51 1.52 117.51 121.18 1a5j h ILE 70 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1a5j h ILE 70 Cb 0.00 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1a5j h ILE 70 CO 0.00 0.00 0.30 0.15 0.00 0.00 0.00 178.15 178.60 1a5j h PHE 71 N -0.10 0.00 -0.22 1.37 3.57 0.42 0.66 116.94 122.64 1a5j h PHE 71 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1a5j h PHE 71 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1a5j h PHE 71 CO -0.46 0.00 0.00 -0.85 -2.23 0.00 0.00 178.31 174.77 1a5j n GLU 72 N -3.40 2.84 -0.03 1.11 0.28 0.52 -4.43 120.64 117.54 1a5j n GLU 72 Ca 0.02 -2.00 0.02 0.00 -0.16 0.00 0.00 57.16 55.03 1a5j n GLU 72 Cb 0.40 -1.26 -0.11 0.00 1.43 0.00 0.00 31.44 31.91 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a5j n ALA 73 N 0.04 2.18 0.49 -1.84 0.00 0.44 -4.31 120.51 117.50 1a5j n ALA 73 Ca 0.09 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.12 1a5j n ALA 73 Cb 0.43 -0.29 0.45 0.00 0.00 0.00 0.00 19.45 20.04 1a5j n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a5j h HIS 74 N 0.00 0.00 -0.72 0.00 2.76 -1.33 -2.25 115.15 113.60 1a5j h HIS 74 Ca -0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1a5j h HIS 74 Cb 1.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.06 1a5j h HIS 74 CO 0.00 0.00 0.00 0.36 -1.30 0.00 0.00 177.93 176.99 1a5j n LYS 75 N -2.35 3.09 -0.04 5.26 2.85 -1.26 -3.17 118.16 122.53 1a5j n LYS 75 Ca 0.04 -2.76 -0.04 0.00 -1.05 0.00 0.00 58.31 54.49 1a5j n LYS 75 Cb 0.34 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 32.97 1a5j n LYS 75 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1a5j n VAL 76 N 1.51 0.55 0.00 0.58 0.31 -0.86 -4.96 118.33 115.46 1a5j n VAL 76 Ca 0.25 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a5j n VAL 76 Cb 0.72 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 1a5j n VAL 76 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a5j n LEU 77 N -2.31 0.00 0.00 7.52 4.32 -1.13 -5.13 117.00 120.27 1a5j n LEU 77 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 1a5j n LEU 77 Cb 0.76 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 1a5j n LEU 77 CO 0.17 -0.35 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 1a5j n GLY 78 N 2.21 -0.45 1.31 -0.72 0.00 -1.19 -4.89 105.19 101.47 1a5j n GLY 78 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 1a5j n GLY 78 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a5j n ASN 79 N 0.00 3.22 -2.54 1.61 0.23 -1.26 -4.54 115.26 111.98 1a5j n ASN 79 Ca 0.00 -2.55 -0.13 0.00 -0.53 0.00 0.00 54.58 51.37 1a5j n ASN 79 Cb 0.00 -0.61 -0.07 0.00 -2.08 0.00 0.00 39.78 37.01 1a5j n ASN 79 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a5j n ARG 80 N 0.06 1.58 -0.34 -3.83 3.00 -1.26 -4.49 116.66 111.38 1a5j n ARG 80 Ca 0.19 -0.93 0.28 0.00 -0.01 0.00 0.00 57.85 57.38 1a5j n ARG 80 Cb 0.83 -2.04 0.60 0.00 0.00 0.00 0.00 32.46 31.84 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1a5j h TRP 81 N 4.86 0.44 -0.60 -1.55 4.06 -1.89 2.41 115.95 123.67 1a5j h TRP 81 Ca 0.26 0.02 0.12 0.00 2.06 0.00 0.00 58.89 61.35 1a5j h TRP 81 Cb 0.67 -0.13 -0.04 0.00 -1.00 0.00 0.00 29.16 28.67 1a5j h TRP 81 CO 1.64 0.01 0.41 0.00 -3.56 0.00 0.00 178.44 176.95 1a5j h ALA 82 N 1.55 2.15 0.00 1.49 0.00 -1.89 0.20 119.26 122.78 1a5j h ALA 82 Ca 0.61 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 55.18 1a5j h ALA 82 Cb 1.87 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 1a5j h ALA 82 CO -0.22 -0.31 -2.28 -0.85 0.00 0.00 0.00 179.25 175.59 1a5j n GLU 83 N -4.45 0.73 -0.16 0.00 -0.00 0.68 -3.44 120.64 113.99 1a5j n GLU 83 Ca 0.11 0.09 -0.02 0.00 -0.00 0.00 0.00 57.16 57.33 1a5j n GLU 83 Cb 0.46 -1.46 0.07 0.00 -0.00 0.00 0.00 31.44 30.51 1a5j n GLU 83 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1a5j h ILE 84 N 0.00 0.77 -0.10 3.84 5.03 0.29 -1.74 117.51 125.59 1a5j h ILE 84 Ca -0.50 -0.10 -0.22 0.00 -0.12 0.00 0.00 64.86 63.92 1a5j h ILE 84 Cb 1.88 0.45 0.01 0.00 -3.03 0.00 0.00 36.82 36.13 1a5j h ILE 84 CO -0.05 0.05 -0.78 0.00 -0.68 0.00 0.00 178.15 176.70 1a5j h ALA 85 N 1.37 0.24 -0.00 1.87 0.00 -0.81 -3.37 119.26 118.55 1a5j h ALA 85 Ca 0.25 -0.60 -0.63 0.00 0.00 0.00 0.00 54.91 53.93 1a5j h ALA 85 Cb 0.31 0.01 0.08 0.00 0.00 0.00 0.00 17.79 18.19 1a5j h ALA 85 CO -0.29 0.61 1.97 1.63 0.00 0.00 0.00 179.25 183.17 1a5j n LYS 86 N -3.99 0.97 0.00 0.00 5.02 -0.65 -2.13 118.16 117.38 1a5j n LYS 86 Ca -0.09 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.65 1a5j n LYS 86 Cb 0.75 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1a5j n LYS 86 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1a5j n LEU 87 N 8.05 0.00 -4.90 -0.35 7.94 -1.26 -4.85 117.00 121.64 1a5j n LEU 87 Ca 0.49 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 55.05 1a5j n LEU 87 Cb 0.41 0.09 -0.05 0.00 0.53 0.00 0.00 43.42 44.40 1a5j n LEU 87 CO 1.10 -0.09 -0.16 -0.76 -1.11 0.00 0.00 177.39 176.36 1a5j s LEU 88 N -3.02 4.37 -1.03 -1.96 2.01 -0.91 -5.02 118.68 113.13 1a5j s LEU 88 Ca 0.00 0.37 -0.23 0.00 0.01 0.00 0.00 54.13 54.28 1a5j s LEU 88 Cb 0.00 -2.49 -0.00 0.00 0.01 0.00 0.00 46.19 43.70 1a5j s LEU 88 CO 0.00 0.29 1.73 -2.16 1.01 0.00 0.00 176.35 177.22 1a5j s PRO 89 N -1.74 3.12 0.00 1.29 0.04 -1.26 -4.72 135.00 131.73 1a5j s PRO 89 Ca 0.25 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.37 1a5j s PRO 89 Cb -0.12 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1a5j s PRO 89 CO 0.15 -2.86 0.00 0.41 0.04 0.00 0.00 177.00 174.74 1a5j n GLY 90 N 6.57 4.61 0.92 0.56 0.00 -1.26 -5.16 105.19 111.43 1a5j n GLY 90 Ca 0.39 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1a5j n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5j n ARG 91 N -1.78 -2.44 0.00 1.61 5.12 -1.26 -5.00 116.66 112.91 1a5j n ARG 91 Ca 0.00 1.88 0.00 0.00 -1.93 0.00 0.00 57.85 57.80 1a5j n ARG 91 Cb 0.00 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 28.98 1a5j n ARG 91 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1a5j n THR 92 N -1.97 0.00 -0.06 0.55 -2.24 -1.26 -4.77 114.28 104.53 1a5j n THR 92 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1a5j n THR 92 Cb 0.24 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.35 1a5j n THR 92 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1a5j h ASP 93 N 0.00 -0.01 0.06 3.42 2.03 -1.90 -2.24 116.42 117.78 1a5j h ASP 93 Ca 0.00 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 1a5j h ASP 93 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1a5j h ASP 93 CO 0.00 0.89 0.00 0.59 -1.03 0.00 0.00 179.24 179.69 1a5j n ASN 94 N -4.66 0.52 -0.02 4.15 3.02 -1.26 0.18 115.26 117.18 1a5j n ASN 94 Ca -0.09 0.73 -0.01 0.00 -0.03 0.00 0.00 54.58 55.18 1a5j n ASN 94 Cb 0.41 -0.80 -0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1a5j n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5j h ALA 95 N 2.02 0.00 -0.07 5.41 0.00 -1.93 -3.28 119.26 121.42 1a5j h ALA 95 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1a5j h ALA 95 Cb 0.03 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1a5j h ALA 95 CO 0.00 0.10 -0.17 0.28 0.00 0.00 0.00 179.25 179.46 1a5j h VAL 96 N -0.38 0.58 -0.65 0.00 2.07 -1.15 0.11 116.25 116.83 1a5j h VAL 96 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1a5j h VAL 96 Cb 0.10 0.58 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 1a5j h VAL 96 CO 0.00 0.00 -0.38 1.17 0.02 0.00 0.00 177.57 178.38 1a5j n LYS 97 N -5.31 -0.29 -0.19 1.57 4.81 0.13 0.11 118.16 118.99 1a5j n LYS 97 Ca -0.04 1.22 -0.05 0.00 -0.87 0.00 0.00 58.31 58.57 1a5j n LYS 97 Cb 0.22 -1.79 0.05 0.00 0.02 0.00 0.00 35.03 33.53 1a5j n LYS 97 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1a5j h ASN 98 N 0.00 0.51 -0.26 3.14 -0.73 -1.53 0.11 115.58 116.82 1a5j h ASN 98 Ca 0.10 0.01 0.07 0.00 1.87 0.00 0.00 56.30 58.36 1a5j h ASN 98 Cb 0.27 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1a5j h ASN 98 CO -0.61 0.36 0.54 -0.74 -0.37 0.00 0.00 177.43 176.61 1a5j h HIS 99 N 0.64 0.00 0.19 0.67 2.76 0.34 0.83 115.15 120.57 1a5j h HIS 99 Ca 0.23 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1a5j h HIS 99 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1a5j h HIS 99 CO -0.07 0.00 -0.09 2.35 -1.30 0.00 0.00 177.93 178.82 1a5j h TRP 100 N 0.00 -0.23 -0.01 5.26 -0.00 0.23 -2.62 115.95 118.57 1a5j h TRP 100 Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.01 1a5j h TRP 100 Cb 1.21 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 30.45 1a5j h TRP 100 CO 0.00 0.12 0.00 0.09 -0.00 0.00 0.00 178.44 178.65 1a5j n ASN 101 N -5.04 0.57 0.00 2.65 3.02 0.15 -0.95 115.26 115.67 1a5j n ASN 101 Ca -0.09 -1.20 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 1a5j n ASN 101 Cb 0.24 -0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1a5j n ASN 101 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a5j n SER 102 N -0.55 0.00 0.00 6.41 2.88 0.24 -4.76 113.62 117.84 1a5j n SER 102 Ca 0.22 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.10 1a5j n SER 102 Cb 0.20 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1a5j n THR 103 N -1.15 0.00 -1.28 2.46 -1.04 -1.10 -4.74 114.28 107.43 1a5j n THR 103 Ca 0.00 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 1a5j n THR 103 Cb 0.00 1.08 0.09 0.00 -1.82 0.00 0.00 70.33 69.68 1a5j n THR 103 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1a5j n ILE 104 N -0.41 3.52 -2.43 12.58 5.41 -1.05 -4.42 119.36 132.55 1a5j n ILE 104 Ca 0.00 -2.70 -0.22 0.00 1.00 0.00 0.00 62.75 60.83 1a5j n ILE 104 Cb 0.02 -1.08 0.01 0.00 -0.71 0.00 0.00 39.64 37.88 1a5j n ILE 104 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1a5j n LYS 105 N -0.86 3.01 0.01 0.38 -0.00 -0.13 -4.61 118.16 115.95 1a5j n LYS 105 Ca 0.60 -4.18 -0.02 0.00 -0.00 0.00 0.00 58.31 54.71 1a5j n LYS 105 Cb 0.79 -2.06 -0.01 0.00 -0.00 0.00 0.00 35.03 33.75 1a5j n LYS 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a5j h ARG 106 N 2.56 -0.13 -5.21 -1.58 2.47 -1.87 -3.39 114.38 107.23 1a5j h ARG 106 Ca 0.23 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.76 1a5j h ARG 106 Cb 1.12 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 1a5j h ARG 106 CO 0.73 -0.06 0.62 1.17 0.56 0.00 0.00 179.97 183.00 1a5j n LYS 107 N -4.86 0.78 0.00 0.04 0.00 -1.26 -3.27 118.16 109.58 1a5j n LYS 107 Ca -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 58.31 56.29 1a5j n LYS 107 Cb 0.07 -3.74 0.00 0.00 0.00 0.00 0.00 35.03 31.35 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1a5j n VAL 108 N 8.34 0.00 -1.15 3.15 0.31 -1.26 -4.90 118.33 122.82 1a5j n VAL 108 Ca 0.43 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.56 1a5j n VAL 108 Cb 0.46 -0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 33.22 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1a5j n ASP 109 N -2.26 6.30 0.00 4.52 -0.08 -1.20 -5.26 116.55 118.57 1a5j n ASP 109 Ca 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 1a5j n ASP 109 Cb 0.00 -1.17 0.00 0.00 2.34 0.00 0.00 41.12 42.29 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39