#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 0.00 0.00 -0.61 -4.36 -1.26 -5.18 121.20 109.79 1a5j s ILE 2 Ca 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1a5j s ILE 2 Cb 0.00 -2.12 0.00 0.00 1.25 0.00 0.00 42.46 41.59 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 -0.54 -0.34 -0.67 0.37 -0.04 -1.26 -5.03 135.00 127.49 1a5j n PRO 3 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 1a5j n PRO 3 Cb 0.62 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.35 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 -0.33 0.00 3.54 -1.08 -1.26 -4.19 116.67 112.09 1a5j s ASP 4 Ca 0.00 0.73 0.00 0.00 -0.52 0.00 0.00 52.55 52.76 1a5j s ASP 4 Cb 0.00 -1.02 0.00 0.00 -1.46 0.00 0.00 42.92 40.44 1a5j s ASP 4 CO 0.00 -4.90 0.00 0.18 0.52 0.00 0.00 175.17 170.97 1a5j n LEU 5 N -5.30 0.00 0.00 -1.34 4.77 -1.26 -5.03 117.00 108.84 1a5j n LEU 5 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1a5j n LEU 5 Cb 0.60 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1a5j n LEU 5 CO 0.43 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.01 1a5j n VAL 6 N -2.76 0.00 -2.31 4.08 0.31 -1.26 -3.93 118.33 112.47 1a5j n VAL 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a5j n VAL 6 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1a5j n VAL 6 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5j n LYS 7 N 0.00 -2.76 0.00 5.55 4.01 -1.26 -3.55 118.16 120.15 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1a5j n LYS 7 Cb 0.00 -4.33 0.00 0.00 -0.51 0.00 0.00 35.03 30.19 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 -0.44 0.85 3.73 0.72 0.00 -1.26 -5.10 105.19 103.69 1a5j n GLY 8 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.11 4.56 0.48 1.61 0.04 -1.23 -5.03 135.00 135.31 1a5j s PRO 9 Ca 0.00 1.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.69 1a5j s PRO 9 Cb 0.00 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1a5j s PRO 9 CO 0.00 0.01 0.84 -1.58 0.04 0.00 0.00 177.00 176.30 1a5j s TRP 10 N -0.04 3.53 0.00 0.56 0.52 -1.26 -5.07 118.94 117.18 1a5j s TRP 10 Ca 0.51 1.03 0.00 0.00 0.02 0.00 0.00 56.10 57.66 1a5j s TRP 10 Cb -0.30 -2.46 0.00 0.00 -1.15 0.00 0.00 33.47 29.56 1a5j s TRP 10 CO 0.34 -0.29 0.00 0.25 0.02 0.00 0.00 176.95 177.28 1a5j n THR 11 N -1.91 0.00 -0.37 2.01 -2.24 -1.26 -4.95 114.28 105.55 1a5j n THR 11 Ca 0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 1a5j n THR 11 Cb 0.54 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.80 1a5j n THR 11 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a5j n LYS 12 N 0.00 -0.24 -0.33 -0.78 0.00 -1.26 0.24 118.16 115.78 1a5j n LYS 12 Ca 0.00 1.48 0.23 0.00 0.00 0.00 0.00 58.31 60.02 1a5j n LYS 12 Cb 0.00 -2.20 0.45 0.00 0.00 0.00 0.00 35.03 33.29 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 0.30 -0.30 1.64 4.22 -1.98 0.63 114.58 119.08 1a5j h GLU 13 Ca 0.32 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.78 1a5j h GLU 13 Cb 0.56 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1a5j h GLU 13 CO -0.95 0.20 0.10 1.05 -2.18 0.00 0.00 179.01 177.23 1a5j h GLU 14 N 0.31 0.23 -0.58 1.92 4.11 0.27 -1.91 114.58 118.92 1a5j h GLU 14 Ca 0.71 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 60.12 1a5j h GLU 14 Cb 1.61 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.78 1a5j h GLU 14 CO -0.62 0.15 0.33 -0.44 0.07 0.00 0.00 179.01 178.51 1a5j h ASP 15 N 0.24 0.71 -0.07 3.06 5.19 0.50 -0.45 116.42 125.59 1a5j h ASP 15 Ca 0.13 -0.07 0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1a5j h ASP 15 Cb 0.10 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1a5j h ASP 15 CO -0.14 0.57 0.24 0.06 -3.12 0.00 0.00 179.24 176.86 1a5j h GLN 16 N 0.78 0.00 0.41 3.56 -0.00 -0.31 -1.52 115.11 118.03 1a5j h GLN 16 Ca 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.84 1a5j h GLN 16 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.49 1a5j h GLN 16 CO -0.04 0.00 -0.20 -0.22 -0.00 0.00 0.00 178.83 178.38 1a5j h LYS 17 N 0.00 -0.53 -1.38 0.06 3.64 -0.37 -1.79 116.57 116.19 1a5j h LYS 17 Ca 0.03 0.04 0.41 0.00 -1.27 0.00 0.00 60.65 59.86 1a5j h LYS 17 Cb 0.52 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 32.37 1a5j h LYS 17 CO -0.00 -0.29 0.95 0.28 -2.27 0.00 0.00 179.45 178.12 1a5j h VAL 18 N -1.09 0.25 0.08 2.00 2.07 -1.20 0.92 116.25 119.27 1a5j h VAL 18 Ca -0.06 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 1a5j h VAL 18 Cb 0.49 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1a5j h VAL 18 CO 0.09 0.02 -0.04 0.40 0.02 0.00 0.00 177.57 178.06 1a5j h ILE 19 N 0.09 1.20 0.00 4.57 5.03 -1.40 -0.67 117.51 126.33 1a5j h ILE 19 Ca 0.73 -1.18 -0.01 0.00 -0.12 0.00 0.00 64.86 64.28 1a5j h ILE 19 Cb 2.57 1.94 -0.00 0.00 -3.03 0.00 0.00 36.82 38.30 1a5j h ILE 19 CO -0.19 0.28 -0.05 -0.08 -0.68 0.00 0.00 178.15 177.43 1a5j h GLU 20 N -0.66 0.00 0.18 2.37 4.22 0.14 -1.88 114.58 118.95 1a5j h GLU 20 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1a5j h GLU 20 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1a5j h GLU 20 CO 0.02 0.05 -0.09 -0.07 -2.18 0.00 0.00 179.01 176.74 1a5j h LEU 21 N 0.00 -0.21 -1.30 1.64 3.38 0.47 -2.57 115.31 116.71 1a5j h LEU 21 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1a5j h LEU 21 Cb 0.13 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1a5j h LEU 21 CO 0.01 0.08 0.65 0.58 0.09 0.00 0.00 178.44 179.85 1a5j h VAL 22 N -0.71 0.06 -0.01 1.22 2.07 -0.97 2.43 116.25 120.35 1a5j h VAL 22 Ca -0.02 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 1a5j h VAL 22 Cb 0.19 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1a5j h VAL 22 CO 0.04 0.00 -0.29 0.11 0.02 0.00 0.00 177.57 177.45 1a5j h LYS 23 N 0.00 0.21 -0.01 1.57 1.57 -1.30 1.65 116.57 120.26 1a5j h LYS 23 Ca 0.09 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1a5j h LYS 23 Cb 1.38 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.75 1a5j h LYS 23 CO -0.00 0.94 -0.17 1.17 -0.57 0.00 0.00 179.45 180.82 1a5j n LYS 24 N -4.47 1.05 -0.06 3.15 4.81 0.34 -4.23 118.16 118.75 1a5j n LYS 24 Ca -0.10 -0.59 -0.13 0.00 -0.87 0.00 0.00 58.31 56.63 1a5j n LYS 24 Cb 0.52 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 34.04 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 -0.46 0.00 0.00 5.64 4.02 0.73 -5.06 117.16 122.03 1a5j n TYR 25 Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 1a5j n TYR 25 Cb 0.34 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.19 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 2.11 1.74 1.15 2.72 0.00 0.56 -4.62 105.19 108.85 1a5j n GLY 26 Ca -0.23 -0.78 -0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.10 2.61 -2.24 -1.26 -4.68 114.28 108.61 1a5j n THR 27 Ca 0.00 -0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1a5j n THR 27 Cb 0.00 0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.44 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 -0.01 0.91 -3.21 -0.78 4.81 -1.26 -4.66 118.16 113.97 1a5j n LYS 28 Ca -0.00 0.05 -0.35 0.00 -0.87 0.00 0.00 58.31 57.14 1a5j n LYS 28 Cb 0.41 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 34.00 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1a5j n GLN 29 N -2.87 3.54 0.05 1.64 6.02 -1.26 -4.80 117.38 119.71 1a5j n GLN 29 Ca -0.33 -4.62 0.05 0.00 -0.01 0.00 0.00 57.00 52.10 1a5j n GLN 29 Cb 0.98 -2.39 0.25 0.00 1.02 0.00 0.00 30.24 30.10 1a5j n GLN 29 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1a5j n TRP 30 N 1.10 0.25 -0.11 1.08 7.02 -1.26 -1.40 117.44 124.12 1a5j n TRP 30 Ca 0.28 0.12 -0.12 0.00 -1.02 0.00 0.00 57.50 56.76 1a5j n TRP 30 Cb 0.37 -0.70 -0.03 0.00 -2.42 0.00 0.00 31.31 28.53 1a5j n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1a5j h THR 31 N 0.00 1.29 -0.43 -0.99 1.03 -1.95 -2.46 112.91 109.40 1a5j h THR 31 Ca 0.00 -1.23 0.13 0.00 -0.01 0.00 0.00 66.41 65.29 1a5j h THR 31 Cb 0.08 1.42 -0.02 0.00 -1.07 0.00 0.00 68.15 68.56 1a5j h THR 31 CO 0.00 0.40 0.48 0.17 -0.01 0.00 0.00 175.52 176.56 1a5j h LEU 32 N 0.42 0.00 -0.03 0.00 -0.00 -1.62 3.01 115.31 117.09 1a5j h LEU 32 Ca 0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.77 1a5j h LEU 32 Cb 0.66 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.33 1a5j h LEU 32 CO 0.04 0.00 -0.70 0.40 -0.00 0.00 0.00 178.44 178.18 1a5j h ILE 33 N 0.00 1.37 -0.59 0.15 5.03 -1.57 -1.53 117.51 120.37 1a5j h ILE 33 Ca 0.21 -2.06 0.00 0.00 -0.12 0.00 0.00 64.86 62.89 1a5j h ILE 33 Cb 1.17 2.42 0.00 0.00 -3.03 0.00 0.00 36.82 37.38 1a5j h ILE 33 CO -0.00 0.62 0.00 0.00 -0.68 0.00 0.00 178.15 178.08 1a5j n ALA 34 N -2.60 3.33 -0.01 1.87 0.00 0.18 -3.54 120.51 119.75 1a5j n ALA 34 Ca -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.58 1a5j n ALA 34 Cb 0.71 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 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 0.81 1.71 -0.10 0.00 0.00 0.95 -4.73 118.16 116.81 1a5j n LYS 35 Ca 0.26 -0.02 -0.22 0.00 0.00 0.00 0.00 58.31 58.33 1a5j n LYS 35 Cb 0.99 -1.09 -0.12 0.00 0.00 0.00 0.00 35.03 34.81 1a5j n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a5j h HIS 36 N 0.00 0.03 -1.41 5.64 3.86 -1.41 -3.41 115.15 118.44 1a5j h HIS 36 Ca -0.05 -0.02 -0.70 0.00 -1.16 0.00 0.00 60.37 58.44 1a5j h HIS 36 Cb 0.69 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.04 1a5j h HIS 36 CO 0.00 1.51 1.81 -0.51 0.86 0.00 0.00 177.93 181.60 1a5j s LEU 37 N -7.82 4.32 0.00 2.43 1.43 -1.23 -4.96 118.68 112.84 1a5j s LEU 37 Ca -0.28 -2.61 0.00 0.00 -1.03 0.00 0.00 54.13 50.21 1a5j s LEU 37 Cb 0.06 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1a5j s LEU 37 CO 0.60 -1.02 0.00 2.29 0.23 0.00 0.00 176.35 178.46 1a5j n LYS 38 N 7.31 0.20 0.00 1.70 2.85 -1.26 -4.25 118.16 124.72 1a5j n LYS 38 Ca 0.43 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.69 1a5j n LYS 38 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a5j n GLY 39 N 3.63 1.33 1.99 2.58 0.00 -1.26 -4.78 105.19 108.67 1a5j n GLY 39 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1a5j n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5j n ARG 40 N 0.00 0.42 -0.87 1.61 3.00 -1.26 -5.14 116.66 114.42 1a5j n ARG 40 Ca 0.00 -2.06 -0.30 0.00 -0.01 0.00 0.00 57.85 55.48 1a5j n ARG 40 Cb 0.00 1.48 0.25 0.00 0.00 0.00 0.00 32.46 34.19 1a5j n ARG 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1a5j s LEU 41 N 0.00 0.20 0.00 0.55 2.01 -1.26 -4.93 118.68 115.24 1a5j s LEU 41 Ca 0.20 0.72 0.00 0.00 0.01 0.00 0.00 54.13 55.06 1a5j s LEU 41 Cb 0.01 -2.37 0.00 0.00 0.01 0.00 0.00 46.19 43.84 1a5j s LEU 41 CO 0.14 -4.48 0.00 0.61 1.01 0.00 0.00 176.35 173.63 1a5j n GLY 42 N -0.25 -2.80 2.72 -3.19 0.00 -1.26 -4.93 105.19 95.49 1a5j n GLY 42 Ca 0.13 -0.35 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 1a5j n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a5j n LYS 43 N 0.00 0.48 -2.30 1.61 0.00 -1.26 -5.04 118.16 111.65 1a5j n LYS 43 Ca 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 58.31 56.90 1a5j n LYS 43 Cb 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 35.03 34.05 1a5j n LYS 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a5j n GLN 44 N 1.87 -3.46 -2.66 1.64 3.00 -1.26 -4.91 117.38 111.60 1a5j n GLN 44 Ca 0.08 2.73 -0.43 0.00 -0.01 0.00 0.00 57.00 59.37 1a5j n GLN 44 Cb 0.65 -4.03 -0.02 0.00 0.00 0.00 0.00 30.24 26.83 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a5j n ARG 46 N 5.98 -2.81 -2.28 0.00 1.74 -1.26 -5.02 116.66 113.00 1a5j n ARG 46 Ca 0.11 2.35 -0.02 0.00 -0.77 0.00 0.00 57.85 59.52 1a5j n ARG 46 Cb 0.47 -4.74 0.05 0.00 -1.02 0.00 0.00 32.46 27.21 1a5j n ARG 46 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1a5j n GLU 47 N 0.45 0.57 0.00 5.56 1.02 -1.26 -4.76 120.64 122.23 1a5j n GLU 47 Ca 0.02 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 1a5j n GLU 47 Cb 0.06 0.11 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 1a5j n GLU 47 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a5j n ARG 48 N -0.63 0.00 -0.07 3.49 0.63 -1.26 -4.90 116.66 113.93 1a5j n ARG 48 Ca -0.13 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.73 1a5j n ARG 48 Cb 0.69 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.50 1a5j n ARG 48 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 1a5j n TRP 49 N -0.42 0.00 0.10 -0.14 2.14 -1.26 -4.47 117.44 113.39 1a5j n TRP 49 Ca 0.00 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.35 1a5j n TRP 49 Cb 0.00 -0.62 -0.15 0.00 -0.81 0.00 0.00 31.31 29.73 1a5j n TRP 49 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 1a5j h HIS 50 N 0.00 0.78 -3.56 -2.67 2.76 -1.92 -3.41 115.15 107.13 1a5j h HIS 50 Ca -0.34 -0.56 -0.70 0.00 -2.20 0.00 0.00 60.37 56.56 1a5j h HIS 50 Cb 1.74 -0.03 -0.35 0.00 1.55 0.00 0.00 27.41 30.32 1a5j h HIS 50 CO 0.00 1.43 -0.34 -0.80 -1.30 0.00 0.00 177.93 176.93 1a5j s ASN 51 N -7.28 5.34 0.25 3.26 0.01 -1.26 -4.69 114.94 110.58 1a5j s ASN 51 Ca -0.11 -2.83 0.00 0.00 -0.71 0.00 0.00 52.86 49.21 1a5j s ASN 51 Cb 0.03 -1.88 0.00 0.00 0.41 0.00 0.00 41.25 39.81 1a5j s ASN 51 CO 0.89 -0.39 0.00 1.57 -1.51 0.00 0.00 177.10 177.66 1a5j n HIS 52 N 3.54 -3.55 -1.85 2.20 -0.00 -1.26 -4.09 115.22 110.21 1a5j n HIS 52 Ca 0.08 0.87 -0.26 0.00 0.46 0.00 0.00 57.72 58.87 1a5j n HIS 52 Cb 0.38 2.37 -0.05 0.00 -0.12 0.00 0.00 29.99 32.57 1a5j n HIS 52 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1a5j s LEU 53 N -5.98 3.13 -0.40 0.27 2.96 -1.26 -4.59 118.68 112.81 1a5j s LEU 53 Ca 0.00 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1a5j s LEU 53 Cb 0.00 -2.54 0.29 0.00 0.50 0.00 0.00 46.19 44.44 1a5j s LEU 53 CO 0.00 -3.02 1.17 -3.20 -1.32 0.00 0.00 176.35 169.98 1a5j n ASN 54 N 15.32 -1.92 -3.25 3.68 2.85 -1.26 -5.14 115.26 125.53 1a5j n ASN 54 Ca 0.38 -2.65 0.00 0.00 -0.11 0.00 0.00 54.58 52.20 1a5j n ASN 54 Cb 0.48 1.40 0.00 0.00 1.24 0.00 0.00 39.78 42.90 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 0.99 1.43 -2.31 1.20 -0.04 -1.26 -5.12 135.00 129.89 1a5j n PRO 55 Ca 0.02 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1a5j n PRO 55 Cb 0.70 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.15 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 0.07 -0.15 0.54 2.13 -1.26 -5.05 120.64 116.92 1a5j n GLU 56 Ca 0.00 -0.52 -0.10 0.00 0.66 0.00 0.00 57.16 57.19 1a5j n GLU 56 Cb 0.00 0.44 -0.01 0.00 0.27 0.00 0.00 31.44 32.14 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 1.17 1.26 -0.03 6.31 2.07 -1.85 -3.43 116.25 121.75 1a5j h VAL 57 Ca -0.04 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.50 1a5j h VAL 57 Cb 0.19 1.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.87 1a5j h VAL 57 CO 0.06 0.34 -0.03 1.17 0.02 0.00 0.00 177.57 179.13 1a5j n LYS 58 N -4.43 0.03 0.00 1.57 4.81 -1.26 -5.10 118.16 113.77 1a5j n LYS 58 Ca -0.00 -0.56 0.00 0.00 -0.87 0.00 0.00 58.31 56.88 1a5j n LYS 58 Cb 0.28 0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1a5j n LYS 58 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1a5j n LYS 59 N 2.13 0.00 -0.89 1.64 0.00 -1.26 -4.49 118.16 115.29 1a5j n LYS 59 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 58.01 1a5j n LYS 59 Cb 0.68 0.00 0.08 0.00 -0.00 0.00 0.00 35.03 35.79 1a5j n LYS 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1a5j n SER 60 N -2.69 -2.97 0.00 -5.58 3.41 -1.26 -4.67 113.62 99.86 1a5j n SER 60 Ca 0.00 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1a5j n SER 60 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a5j n SER 61 N 1.77 0.00 -4.19 4.04 7.64 -1.26 -4.94 113.62 116.67 1a5j n SER 61 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 1a5j n SER 61 Cb 0.70 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.17 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 0.78 0.00 1.43 0.52 -1.26 -5.06 118.94 115.35 1a5j s TRP 62 Ca 0.00 0.99 0.00 0.00 0.02 0.00 0.00 56.10 57.11 1a5j s TRP 62 Cb 0.00 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 1a5j s TRP 62 CO 0.00 -4.27 0.00 0.25 0.02 0.00 0.00 176.95 172.95 1a5j n THR 63 N -5.18 0.00 0.00 2.01 -2.24 -1.26 -4.57 114.28 103.03 1a5j n THR 63 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1a5j n THR 63 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.38 -0.78 -0.58 -1.26 -2.40 120.64 115.24 1a5j n GLU 64 Ca 0.00 0.00 0.31 0.00 -0.42 0.00 0.00 57.16 57.05 1a5j n GLU 64 Cb 0.00 -0.45 0.57 0.00 -0.57 0.00 0.00 31.44 30.99 1a5j n GLU 64 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1a5j h GLU 65 N 0.00 0.16 -0.79 3.49 4.11 -2.00 1.56 114.58 121.12 1a5j h GLU 65 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.40 1a5j h GLU 65 Cb 0.00 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1a5j h GLU 65 CO 0.00 0.11 0.41 0.93 0.07 0.00 0.00 179.01 180.53 1a5j h GLU 66 N 0.17 1.12 0.44 1.06 5.08 -1.98 0.15 114.58 120.62 1a5j h GLU 66 Ca 0.78 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.98 1a5j h GLU 66 Cb 2.16 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 1a5j h GLU 66 CO -0.53 0.85 -0.24 0.22 -1.00 0.00 0.00 179.01 178.31 1a5j h ASP 67 N 1.11 -0.59 0.36 1.42 1.82 0.26 -2.36 116.42 118.45 1a5j h ASP 67 Ca 0.28 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1a5j h ASP 67 Cb 0.07 0.16 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1a5j h ASP 67 CO -0.04 -0.39 -0.37 0.03 -1.61 0.00 0.00 179.24 176.86 1a5j h ARG 68 N -0.64 -0.70 -0.69 0.28 2.47 -1.17 -2.16 114.38 111.78 1a5j h ARG 68 Ca -0.05 0.05 0.14 0.00 -1.26 0.00 0.00 59.98 58.85 1a5j h ARG 68 Cb 0.51 0.16 -0.13 0.00 -1.65 0.00 0.00 29.97 28.85 1a5j h ARG 68 CO 0.08 -0.47 -0.17 -0.89 0.56 0.00 0.00 179.97 179.07 1a5j n ILE 69 N -4.62 -0.29 0.12 2.04 5.41 0.02 0.23 119.36 122.27 1a5j n ILE 69 Ca -0.09 1.58 -0.08 0.00 1.00 0.00 0.00 62.75 65.16 1a5j n ILE 69 Cb 0.33 -2.18 -0.04 0.00 -0.71 0.00 0.00 39.64 37.04 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 0.00 0.00 1.39 1.08 -0.85 0.87 117.51 120.00 1a5j h ILE 70 Ca 0.33 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.80 1a5j h ILE 70 Cb 0.50 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 1a5j h ILE 70 CO -0.71 0.00 0.00 0.33 -0.69 0.00 0.00 178.15 177.08 1a5j n PHE 71 N -3.73 0.49 0.72 1.37 -0.00 0.22 0.98 117.46 117.51 1a5j n PHE 71 Ca -0.05 0.25 0.11 0.00 -0.00 0.00 0.00 57.45 57.76 1a5j n PHE 71 Cb 0.20 -0.90 0.05 0.00 -0.00 0.00 0.00 39.48 38.83 1a5j n PHE 71 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1a5j n GLU 72 N -2.00 0.19 -0.00 -4.13 2.13 0.61 -3.80 120.64 113.63 1a5j n GLU 72 Ca -0.01 -0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1a5j n GLU 72 Cb 0.04 -1.56 -0.07 0.00 0.27 0.00 0.00 31.44 30.13 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5j n ALA 73 N -1.71 2.49 0.18 4.31 0.00 0.29 -4.41 120.51 121.66 1a5j n ALA 73 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.31 1a5j n ALA 73 Cb 0.40 -0.31 0.23 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.58 0.00 2.76 0.48 -2.60 115.15 115.21 1a5j h HIS 74 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a5j h HIS 74 Cb 0.37 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1a5j h HIS 74 CO 0.00 0.35 0.00 0.36 -1.30 0.00 0.00 177.93 177.34 1a5j n LYS 75 N -3.31 2.68 -0.02 5.26 2.85 -1.25 -1.60 118.16 122.77 1a5j n LYS 75 Ca 0.01 -2.21 0.00 0.00 -1.05 0.00 0.00 58.31 55.06 1a5j n LYS 75 Cb 0.58 -1.58 -0.06 0.00 -0.65 0.00 0.00 35.03 33.33 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 1.12 0.27 0.06 0.58 0.31 -1.00 -4.87 118.33 114.80 1a5j n VAL 76 Ca 0.20 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1a5j n VAL 76 Cb 0.59 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 -2.04 0.96 0.00 7.52 4.77 -1.07 -5.09 117.00 122.05 1a5j n LEU 77 Ca -0.07 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1a5j n LEU 77 Cb 0.49 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1a5j n LEU 77 CO 0.17 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.08 1a5j n GLY 78 N 3.28 3.30 0.69 -0.72 0.00 -0.63 -4.82 105.19 106.30 1a5j n GLY 78 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.42 -3.26 1.61 6.94 -1.26 -4.84 115.26 114.02 1a5j n ASN 79 Ca 0.00 -1.35 -0.27 0.00 -0.02 0.00 0.00 54.58 52.94 1a5j n ASN 79 Cb 0.00 0.13 -0.02 0.00 -2.36 0.00 0.00 39.78 37.52 1a5j n ASN 79 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1a5j n ARG 80 N 0.00 2.11 -0.25 -3.83 3.00 -1.26 -4.54 116.66 111.89 1a5j n ARG 80 Ca -0.12 -1.58 0.10 0.00 -0.01 0.00 0.00 57.85 56.24 1a5j n ARG 80 Cb 0.56 -2.56 0.36 0.00 0.00 0.00 0.00 32.46 30.82 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 6.46 0.83 0.00 -1.55 4.06 -1.93 1.23 115.95 125.05 1a5j h TRP 81 Ca 0.51 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.48 1a5j h TRP 81 Cb 0.25 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1a5j h TRP 81 CO 1.84 0.35 0.08 0.00 -3.56 0.00 0.00 178.44 177.14 1a5j h ALA 82 N 1.59 1.06 0.00 1.49 0.00 -1.80 -1.84 119.26 119.77 1a5j h ALA 82 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 1a5j h ALA 82 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1a5j h ALA 82 CO -0.18 -0.06 -1.75 0.39 0.00 0.00 0.00 179.25 177.65 1a5j n GLU 83 N -2.48 0.33 -0.34 0.00 1.02 0.35 -4.37 120.64 115.15 1a5j n GLU 83 Ca -0.02 0.08 0.19 0.00 -0.02 0.00 0.00 57.16 57.39 1a5j n GLU 83 Cb 0.12 -1.25 0.41 0.00 -0.02 0.00 0.00 31.44 30.70 1a5j n GLU 83 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1a5j h ILE 84 N -0.03 0.45 -0.53 -3.67 1.08 0.14 1.21 117.51 116.16 1a5j h ILE 84 Ca -0.30 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 63.92 1a5j h ILE 84 Cb 1.45 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 1a5j h ILE 84 CO -0.06 0.09 0.00 0.00 -0.69 0.00 0.00 178.15 177.50 1a5j h ALA 85 N 1.77 1.00 -0.19 1.87 0.00 -1.55 -1.62 119.26 120.55 1a5j h ALA 85 Ca 0.67 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.35 1a5j h ALA 85 Cb 1.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1a5j h ALA 85 CO -0.52 0.61 0.51 0.87 0.00 0.00 0.00 179.25 180.72 1a5j h LYS 86 N 0.84 0.00 0.01 0.00 1.57 0.13 1.64 116.57 120.76 1a5j h LYS 86 Ca 0.16 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.65 1a5j h LYS 86 Cb 0.49 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1a5j h LYS 86 CO 0.02 0.00 -1.63 -0.07 -0.57 0.00 0.00 179.45 177.20 1a5j h LEU 87 N 0.00 0.05-10.23 2.94 4.07 -1.09 -3.47 115.31 107.58 1a5j h LEU 87 Ca 0.09 -0.10 -0.48 0.00 0.08 0.00 0.00 57.88 57.47 1a5j h LEU 87 Cb 1.12 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.85 1a5j h LEU 87 CO -0.00 1.08 -0.16 -0.76 -1.08 0.00 0.00 178.44 177.52 1a5j s LEU 88 N -6.28 3.99 -1.16 1.67 2.01 0.56 -4.99 118.68 114.48 1a5j s LEU 88 Ca -0.05 0.51 -0.21 0.00 0.01 0.00 0.00 54.13 54.38 1a5j s LEU 88 Cb 0.08 -3.38 -0.00 0.00 0.01 0.00 0.00 46.19 42.90 1a5j s LEU 88 CO 0.82 -0.31 1.79 -2.16 1.01 0.00 0.00 176.35 177.50 1a5j s PRO 89 N -4.29 3.21 -0.11 1.29 0.04 -1.26 -4.40 135.00 129.48 1a5j s PRO 89 Ca 0.41 -1.33 -0.06 0.00 0.04 0.00 0.00 61.00 60.05 1a5j s PRO 89 Cb -0.10 -5.34 0.02 0.00 0.04 0.00 0.00 34.50 29.13 1a5j s PRO 89 CO 0.36 -3.01 0.13 0.41 0.04 0.00 0.00 177.00 174.93 1a5j n GLY 90 N 5.98 -4.21 0.34 0.56 0.00 -1.26 -5.02 105.19 101.58 1a5j n GLY 90 Ca 0.44 0.79 0.00 0.00 0.00 0.00 0.00 46.02 47.24 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 0.90 0.00 0.00 1.61 5.12 -1.26 -5.09 116.66 117.94 1a5j n ARG 91 Ca -0.22 -0.58 0.00 0.00 -1.93 0.00 0.00 57.85 55.13 1a5j n ARG 91 Cb 0.33 -0.35 0.00 0.00 -1.16 0.00 0.00 32.46 31.29 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 0.00 0.00 0.00 0.55 -2.24 -1.26 -3.66 114.28 107.67 1a5j n THR 92 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1a5j n THR 92 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1a5j n THR 92 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a5j n ASP 93 N 2.96 0.00 0.17 3.42 5.75 -1.26 -4.23 116.55 123.36 1a5j n ASP 93 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.90 1a5j n ASP 93 Cb 0.00 0.30 0.61 0.00 -1.03 0.00 0.00 41.12 41.00 1a5j n ASP 93 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1a5j n ASN 94 N -2.14 0.59 0.03 -1.12 3.02 -1.26 -0.95 115.26 113.43 1a5j n ASN 94 Ca 0.00 0.77 -0.02 0.00 -0.03 0.00 0.00 54.58 55.30 1a5j n ASN 94 Cb 0.00 -0.85 -0.01 0.00 -0.61 0.00 0.00 39.78 38.31 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 -0.28 0.57 5.41 0.00 -1.90 -2.75 119.26 122.33 1a5j h ALA 95 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 95 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a5j h ALA 95 CO 0.00 -0.27 -0.46 0.28 0.00 0.00 0.00 179.25 178.80 1a5j h VAL 96 N -0.33 0.09 -0.92 0.00 2.07 -1.61 0.55 116.25 116.10 1a5j h VAL 96 Ca -0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.60 1a5j h VAL 96 Cb 0.08 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 29.82 1a5j h VAL 96 CO 0.02 0.00 -0.53 1.17 0.02 0.00 0.00 177.57 178.25 1a5j n LYS 97 N -5.56 -0.39 -0.37 1.57 4.81 -0.13 0.19 118.16 118.28 1a5j n LYS 97 Ca -0.12 1.39 -0.02 0.00 -0.87 0.00 0.00 58.31 58.69 1a5j n LYS 97 Cb 0.45 -2.05 0.12 0.00 0.02 0.00 0.00 35.03 33.56 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 1.13 -0.03 3.14 -0.73 -1.20 0.99 115.58 118.88 1a5j h ASN 98 Ca 0.16 -0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.32 1a5j h ASN 98 Cb 0.39 -0.28 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 1a5j h ASN 98 CO -0.87 0.81 0.03 -0.74 -0.37 0.00 0.00 177.43 176.29 1a5j h HIS 99 N 1.33 0.00 -0.12 0.67 2.76 0.76 0.85 115.15 121.39 1a5j h HIS 99 Ca 0.37 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.52 1a5j h HIS 99 Cb -0.12 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 1a5j h HIS 99 CO -0.00 0.00 -0.01 2.35 -1.30 0.00 0.00 177.93 178.97 1a5j h TRP 100 N 0.00 0.24 -0.05 5.26 -0.00 0.32 -2.41 115.95 119.33 1a5j h TRP 100 Ca 0.01 -0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.86 1a5j h TRP 100 Cb 0.08 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 29.17 1a5j h TRP 100 CO 0.00 0.49 0.00 0.09 -0.00 0.00 0.00 178.44 179.02 1a5j n ASN 101 N -4.77 1.22 0.00 2.65 3.02 -0.24 -1.40 115.26 115.74 1a5j n ASN 101 Ca -0.06 -1.46 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 1a5j n ASN 101 Cb 0.22 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1a5j n ASN 101 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a5j n SER 102 N -0.03 0.00 0.00 6.41 7.64 0.28 -4.77 113.62 123.15 1a5j n SER 102 Ca 0.19 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1a5j n SER 102 Cb 0.30 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1a5j n THR 103 N -0.88 0.00 -1.23 0.44 -1.04 -1.11 -4.72 114.28 105.74 1a5j n THR 103 Ca 0.00 -0.32 -0.31 0.00 -2.04 0.00 0.00 64.05 61.38 1a5j n THR 103 Cb 0.00 1.05 0.08 0.00 -1.82 0.00 0.00 70.33 69.64 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 -0.55 3.44 -2.53 12.58 5.41 -1.07 -4.37 119.36 132.27 1a5j n ILE 104 Ca 0.00 -2.62 -0.17 0.00 1.00 0.00 0.00 62.75 60.96 1a5j n ILE 104 Cb 0.01 -1.13 0.02 0.00 -0.71 0.00 0.00 39.64 37.83 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 -0.72 2.43 -0.02 0.38 -0.00 -0.49 -4.61 118.16 115.12 1a5j n LYS 105 Ca 0.57 -3.90 -0.01 0.00 -0.00 0.00 0.00 58.31 54.97 1a5j n LYS 105 Cb 0.73 -1.81 -0.00 0.00 -0.00 0.00 0.00 35.03 33.94 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 2.69 -0.06 -5.22 -1.58 2.47 -1.87 -3.40 114.38 107.42 1a5j h ARG 106 Ca 0.11 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.63 1a5j h ARG 106 Cb 1.12 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.45 1a5j h ARG 106 CO 0.64 -0.04 0.64 1.17 0.56 0.00 0.00 179.97 182.94 1a5j n LYS 107 N -4.59 0.81 0.00 0.04 0.00 -1.26 -3.35 118.16 109.81 1a5j n LYS 107 Ca -0.01 -2.01 0.00 0.00 0.00 0.00 0.00 58.31 56.29 1a5j n LYS 107 Cb 0.02 -3.74 0.00 0.00 0.00 0.00 0.00 35.03 31.32 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 8.31 0.00 -0.84 3.15 0.31 -1.26 -4.88 118.33 123.11 1a5j n VAL 108 Ca 0.43 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.59 1a5j n VAL 108 Cb 0.46 -0.21 0.05 0.00 -0.91 0.00 0.00 33.84 33.24 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 -2.35 6.18 0.00 4.52 2.03 -1.21 -5.26 116.55 120.46 1a5j n ASP 109 Ca 0.00 -3.10 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1a5j n ASP 109 Cb 0.00 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.40 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69