#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 -1.00 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 1a5j s ILE 2 Cb 0.00 -2.41 0.00 0.00 1.25 0.00 0.00 42.46 41.30 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 -0.49 0.47 -0.87 0.37 -0.04 -1.26 -5.01 135.00 128.17 1a5j n PRO 3 Ca -0.06 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.11 1a5j n PRO 3 Cb 0.59 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.30 1a5j n PRO 3 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a5j n ASP 4 N -1.07 -2.38 -0.14 3.54 2.03 -1.26 -3.96 116.55 113.31 1a5j n ASP 4 Ca 0.00 -1.09 -0.02 0.00 0.52 0.00 0.00 54.79 54.20 1a5j n ASP 4 Cb 0.00 -0.96 -0.01 0.00 -0.72 0.00 0.00 41.12 39.43 1a5j n ASP 4 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a5j n LEU 5 N 0.00 0.07 0.00 -2.67 4.32 -1.26 -4.96 117.00 112.50 1a5j n LEU 5 Ca 0.14 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.18 1a5j n LEU 5 Cb 0.56 -1.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.27 1a5j n LEU 5 CO 0.39 -0.29 0.00 0.52 -1.22 0.00 0.00 177.39 176.79 1a5j n VAL 6 N -2.75 0.00 -2.32 4.08 0.31 -1.25 -4.30 118.33 112.09 1a5j n VAL 6 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1a5j n VAL 6 Cb 0.16 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 -2.80 0.00 5.55 4.01 -1.26 -3.71 118.16 119.95 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 -4.23 0.00 0.00 -0.51 0.00 0.00 35.03 30.29 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 -0.45 0.75 3.74 0.72 0.00 -1.26 -5.12 105.19 103.57 1a5j n GLY 8 Ca 0.00 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 4.60 0.40 1.61 0.04 -1.24 -5.04 135.00 135.37 1a5j s PRO 9 Ca 0.00 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.76 1a5j s PRO 9 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 1a5j s PRO 9 CO 0.00 0.11 0.67 -1.58 0.04 0.00 0.00 177.00 176.23 1a5j s TRP 10 N -0.51 3.52 0.00 0.56 0.52 -1.26 -5.07 118.94 116.70 1a5j s TRP 10 Ca 0.48 0.64 0.00 0.00 0.02 0.00 0.00 56.10 57.24 1a5j s TRP 10 Cb -0.30 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 29.88 1a5j s TRP 10 CO 0.37 -0.06 0.00 0.25 0.02 0.00 0.00 176.95 177.53 1a5j n THR 11 N -1.81 0.00 -0.38 2.01 -2.24 -1.26 -4.96 114.28 105.64 1a5j n THR 11 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1a5j n THR 11 Cb 0.55 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.23 -0.33 -0.78 4.81 -1.26 0.22 118.16 120.60 1a5j n LYS 12 Ca 0.00 1.53 0.23 0.00 -0.87 0.00 0.00 58.31 59.19 1a5j n LYS 12 Cb 0.00 -2.27 0.46 0.00 0.02 0.00 0.00 35.03 33.24 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1a5j h GLU 13 N 0.00 0.32 -0.35 1.64 4.22 -1.98 0.62 114.58 119.05 1a5j h GLU 13 Ca 0.35 -0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.81 1a5j h GLU 13 Cb 0.60 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1a5j h GLU 13 CO -0.99 0.21 0.14 1.05 -2.18 0.00 0.00 179.01 177.25 1a5j h GLU 14 N 0.33 0.29 -0.06 1.92 4.11 0.24 -2.28 114.58 119.14 1a5j h GLU 14 Ca 0.72 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 60.13 1a5j h GLU 14 Cb 1.60 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.79 1a5j h GLU 14 CO -0.60 0.19 0.03 -0.44 0.07 0.00 0.00 179.01 178.26 1a5j h ASP 15 N 0.30 0.07 -0.52 3.06 5.19 0.46 -1.46 116.42 123.52 1a5j h ASP 15 Ca 0.15 -0.10 0.15 0.00 -0.62 0.00 0.00 57.03 56.61 1a5j h ASP 15 Cb 0.11 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 1a5j h ASP 15 CO -0.14 0.16 0.71 0.06 -3.12 0.00 0.00 179.24 176.91 1a5j h GLN 16 N -0.02 0.00 0.15 3.56 -0.00 -0.57 0.35 115.11 118.58 1a5j h GLN 16 Ca 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1a5j h GLN 16 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 1a5j h GLN 16 CO -0.00 0.00 -0.07 -0.22 -0.00 0.00 0.00 178.83 178.54 1a5j h LYS 17 N 0.00 -0.19 -1.38 0.06 3.64 -0.72 -2.47 116.57 115.51 1a5j h LYS 17 Ca 0.25 0.01 0.40 0.00 -1.27 0.00 0.00 60.65 60.04 1a5j h LYS 17 Cb 1.67 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.47 1a5j h LYS 17 CO -0.00 0.26 0.99 0.28 -2.27 0.00 0.00 179.45 178.70 1a5j h VAL 18 N -0.82 0.30 -0.03 2.00 2.07 -0.21 1.09 116.25 120.66 1a5j h VAL 18 Ca -0.02 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1a5j h VAL 18 Cb 0.54 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1a5j h VAL 18 CO 0.03 0.00 -0.17 0.40 0.02 0.00 0.00 177.57 177.86 1a5j h ILE 19 N 0.02 1.50 0.00 4.57 5.03 -1.36 0.13 117.51 127.39 1a5j h ILE 19 Ca 0.67 -1.70 0.00 0.00 -0.12 0.00 0.00 64.86 63.71 1a5j h ILE 19 Cb 2.61 2.53 0.00 0.00 -3.03 0.00 0.00 36.82 38.94 1a5j h ILE 19 CO -0.04 0.46 0.00 -0.33 -0.68 0.00 0.00 178.15 177.56 1a5j h GLU 20 N -0.44 0.00 0.01 2.37 5.08 0.13 -1.75 114.58 119.98 1a5j h GLU 20 Ca -0.01 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.06 1a5j h GLU 20 Cb 0.85 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 1a5j h GLU 20 CO 0.03 0.00 -1.67 -0.07 -1.00 0.00 0.00 179.01 176.30 1a5j h LEU 21 N 0.00 0.04 -0.68 1.33 3.38 0.49 -2.55 115.31 117.32 1a5j h LEU 21 Ca 0.00 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1a5j h LEU 21 Cb 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1a5j h LEU 21 CO 0.00 1.07 -0.46 0.58 0.09 0.00 0.00 178.44 179.71 1a5j h VAL 22 N 0.01 1.32 0.17 1.22 2.07 -0.14 0.15 116.25 121.04 1a5j h VAL 22 Ca -0.27 -1.66 -0.30 0.00 0.82 0.00 0.00 66.70 65.28 1a5j h VAL 22 Cb 2.00 1.68 0.02 0.00 -1.52 0.00 0.00 31.29 33.48 1a5j h VAL 22 CO 0.09 0.51 -1.32 0.07 0.02 0.00 0.00 177.57 176.94 1a5j h LYS 23 N 0.37 0.49 0.00 1.57 5.09 -1.47 1.60 116.57 124.22 1a5j h LYS 23 Ca 0.02 -0.75 -0.03 0.00 0.09 0.00 0.00 60.65 59.98 1a5j h LYS 23 Cb 0.96 0.27 -0.00 0.00 0.10 0.00 0.00 32.23 33.55 1a5j h LYS 23 CO 0.08 1.34 -0.15 -0.22 -2.09 0.00 0.00 179.45 178.41 1a5j h LYS 24 N 0.17 0.00 0.00 0.07 3.64 -1.33 -3.26 116.57 115.86 1a5j h LYS 24 Ca -0.19 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.75 1a5j h LYS 24 Cb 2.01 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.76 1a5j h LYS 24 CO 0.24 0.15 -2.41 0.66 -2.27 0.00 0.00 179.45 175.83 1a5j n TYR 25 N -3.35 0.13 0.00 1.91 4.02 0.51 -5.02 117.16 115.36 1a5j n TYR 25 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 1a5j n TYR 25 Cb 0.37 -1.01 0.00 0.00 -0.02 0.00 0.00 39.34 38.68 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 1.37 0.96 1.36 2.72 0.00 0.52 -4.72 105.19 107.40 1a5j n GLY 26 Ca -0.51 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1a5j n GLY 26 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a5j n THR 27 N 0.00 -0.92 0.03 2.61 -1.04 0.44 -4.94 114.28 110.46 1a5j n THR 27 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1a5j n THR 27 Cb 0.00 -2.90 0.00 0.00 -1.82 0.00 0.00 70.33 65.61 1a5j n THR 27 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1a5j n LYS 28 N -1.41 0.00 -2.07 -2.82 4.76 -1.26 -4.85 118.16 110.51 1a5j n LYS 28 Ca -0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 1a5j n LYS 28 Cb 0.52 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 33.23 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1a5j n GLN 29 N -3.27 3.04 0.30 1.97 6.02 -1.26 -4.69 117.38 119.49 1a5j n GLN 29 Ca 0.00 -2.92 0.17 0.00 -0.01 0.00 0.00 57.00 54.24 1a5j n GLN 29 Cb 0.21 -3.30 0.88 0.00 1.02 0.00 0.00 30.24 29.05 1a5j n GLN 29 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1a5j h TRP 30 N 6.45 0.00 -0.87 1.08 4.06 -2.01 0.12 115.95 124.79 1a5j h TRP 30 Ca 0.51 0.00 0.10 0.00 2.06 0.00 0.00 58.89 61.56 1a5j h TRP 30 Cb 0.71 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.79 1a5j h TRP 30 CO 1.42 0.00 0.51 0.00 -3.56 0.00 0.00 178.44 176.81 1a5j h THR 31 N 0.00 0.90 -0.69 1.49 1.03 -1.94 -0.44 112.91 113.27 1a5j h THR 31 Ca 0.03 -0.29 0.13 0.00 -0.01 0.00 0.00 66.41 66.28 1a5j h THR 31 Cb 0.58 -0.00 -0.09 0.00 -1.07 0.00 0.00 68.15 67.56 1a5j h THR 31 CO -0.00 0.15 0.20 0.17 -0.01 0.00 0.00 175.52 176.03 1a5j h LEU 32 N 0.83 0.10 -0.98 0.00 8.10 -1.14 2.79 115.31 125.02 1a5j h LEU 32 Ca 0.42 0.12 -0.02 0.00 0.11 0.00 0.00 57.88 58.52 1a5j h LEU 32 Cb 0.41 0.14 -0.04 0.00 -0.44 0.00 0.00 40.66 40.73 1a5j h LEU 32 CO -0.26 0.03 0.44 0.40 -4.11 0.00 0.00 178.44 174.95 1a5j h ILE 33 N 0.32 1.25 -0.54 0.15 5.03 -1.24 1.22 117.51 123.70 1a5j h ILE 33 Ca 0.37 -0.63 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1a5j h ILE 33 Cb 0.58 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1a5j h ILE 33 CO -0.43 0.28 0.00 0.00 -0.68 0.00 0.00 178.15 177.32 1a5j n ALA 34 N -2.42 3.27 0.00 1.87 0.00 0.11 -3.18 120.51 120.17 1a5j n ALA 34 Ca 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1a5j n ALA 34 Cb 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 2.40 -0.07 0.00 0.00 0.90 -4.62 118.16 117.58 1a5j n LYS 35 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.45 1a5j n LYS 35 Cb 0.89 -0.98 -0.07 0.00 0.00 0.00 0.00 35.03 34.88 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 0.00 -0.62 5.64 3.86 0.13 -3.37 115.15 120.78 1a5j h HIS 36 Ca 0.00 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.49 1a5j h HIS 36 Cb 0.96 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.35 1a5j h HIS 36 CO 0.00 0.58 2.84 1.28 0.86 0.00 0.00 177.93 183.49 1a5j n LEU 37 N -4.65 7.47 0.00 2.43 4.77 -1.19 -4.94 117.00 120.89 1a5j n LEU 37 Ca -0.09 -4.49 0.00 0.00 -0.03 0.00 0.00 56.01 51.41 1a5j n LEU 37 Cb 0.31 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.87 1a5j n LEU 37 CO 0.17 1.59 0.00 0.29 -1.33 0.00 0.00 177.39 178.11 1a5j n LYS 38 N 4.03 0.86 -0.96 3.23 4.01 -1.26 -4.38 118.16 123.69 1a5j n LYS 38 Ca 0.56 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1a5j n LYS 38 Cb 0.32 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.84 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5j n GLY 39 N 0.58 0.94 0.00 0.72 0.00 -1.26 -4.86 105.19 101.31 1a5j n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.09 -1.86 -1.92 1.61 1.74 -1.26 -5.10 116.66 107.78 1a5j n ARG 40 Ca 0.00 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 1a5j n ARG 40 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1a5j n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5j s LEU 41 N 0.00 4.37 -0.50 0.55 2.01 -1.26 -4.77 118.68 119.08 1a5j s LEU 41 Ca 0.00 2.55 -0.34 0.00 0.01 0.00 0.00 54.13 56.35 1a5j s LEU 41 Cb 0.00 -3.57 -0.16 0.00 0.01 0.00 0.00 46.19 42.46 1a5j s LEU 41 CO 0.00 -0.87 1.86 0.61 1.01 0.00 0.00 176.35 178.96 1a5j n GLY 42 N 3.91 -0.18 2.91 -3.19 0.00 -1.26 -4.62 105.19 102.76 1a5j n GLY 42 Ca 0.15 0.93 -0.15 0.00 0.00 0.00 0.00 46.02 46.95 1a5j n GLY 42 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1a5j n LYS 43 N 6.34 0.84 0.00 1.61 2.85 -1.26 -2.81 118.16 125.72 1a5j n LYS 43 Ca 0.47 -0.97 0.00 0.00 -1.05 0.00 0.00 58.31 56.76 1a5j n LYS 43 Cb -0.02 -2.27 0.00 0.00 -0.65 0.00 0.00 35.03 32.09 1a5j n LYS 43 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1a5j n GLN 44 N 5.11 0.00 -3.06 -1.58 -0.06 -1.26 -5.07 117.38 111.47 1a5j n GLN 44 Ca 0.23 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.79 1a5j n GLN 44 Cb 0.11 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.29 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1a5j n ARG 46 N 4.84 -5.19 0.00 0.00 1.74 -1.26 -5.04 116.66 111.75 1a5j n ARG 46 Ca 0.33 3.72 0.00 0.00 -0.77 0.00 0.00 57.85 61.12 1a5j n ARG 46 Cb 0.42 -4.45 0.00 0.00 -1.02 0.00 0.00 32.46 27.41 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 1.90 0.00 0.00 5.56 1.02 -1.26 -4.84 120.64 123.03 1a5j n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1a5j n GLU 47 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.00 0.00 -0.04 3.49 3.00 -1.26 -4.87 116.66 116.98 1a5j n ARG 48 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 1a5j n ARG 48 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1a5j n ARG 48 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1a5j n TRP 49 N 0.00 0.00 0.06 -0.14 2.14 -1.26 -4.09 117.44 114.15 1a5j n TRP 49 Ca 0.00 0.00 -0.18 0.00 2.07 0.00 0.00 57.50 59.39 1a5j n TRP 49 Cb 0.00 -0.37 -0.14 0.00 -0.81 0.00 0.00 31.31 29.99 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 0.50 -2.30 -2.67 2.76 -1.92 -3.29 115.15 108.22 1a5j h HIS 50 Ca -0.21 -0.36 -0.66 0.00 -2.20 0.00 0.00 60.37 56.94 1a5j h HIS 50 Cb 1.40 -0.02 -0.37 0.00 1.55 0.00 0.00 27.41 29.97 1a5j h HIS 50 CO 0.01 1.45 -0.12 0.09 -1.30 0.00 0.00 177.93 178.06 1a5j n ASN 51 N -3.47 5.26 0.00 3.26 3.02 -1.26 -4.74 115.26 117.32 1a5j n ASN 51 Ca -0.19 -3.64 0.00 0.00 -0.03 0.00 0.00 54.58 50.72 1a5j n ASN 51 Cb 1.05 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1a5j n ASN 51 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1a5j n HIS 52 N 0.04 -0.24 0.00 3.10 -0.00 -1.26 -4.14 115.22 112.72 1a5j n HIS 52 Ca 0.35 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1a5j n HIS 52 Cb 0.36 0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.27 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1a5j n LEU 53 N -0.99 0.00 -3.64 0.27 7.94 -1.24 -4.77 117.00 114.58 1a5j n LEU 53 Ca 0.00 0.00 -0.29 0.00 -1.11 0.00 0.00 56.01 54.61 1a5j n LEU 53 Cb 0.00 0.00 0.02 0.00 0.53 0.00 0.00 43.42 43.97 1a5j n LEU 53 CO 0.00 0.00 -0.24 -3.20 -1.11 0.00 0.00 177.39 172.84 1a5j n ASN 54 N 2.45 -5.24 -3.25 1.96 2.85 -1.26 -4.96 115.26 107.80 1a5j n ASN 54 Ca 0.00 -0.60 0.00 0.00 -0.11 0.00 0.00 54.58 53.87 1a5j n ASN 54 Cb 0.00 -1.84 0.00 0.00 1.24 0.00 0.00 39.78 39.18 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 -1.61 1.47 -3.46 1.20 -0.04 -1.26 -5.12 135.00 126.18 1a5j n PRO 55 Ca -0.21 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.13 1a5j n PRO 55 Cb 0.68 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.11 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 0.45 0.01 0.54 2.13 -1.26 -5.05 120.64 117.47 1a5j n GLU 56 Ca 0.00 -2.21 0.11 0.00 0.66 0.00 0.00 57.16 55.72 1a5j n GLU 56 Cb 0.00 2.02 -0.13 0.00 0.27 0.00 0.00 31.44 33.60 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j n VAL 57 N -0.44 0.12 0.00 6.31 0.31 -1.26 -4.76 118.33 118.60 1a5j n VAL 57 Ca 0.02 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1a5j n VAL 57 Cb 0.44 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 1a5j n VAL 57 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1a5j n LYS 58 N -2.28 0.00 -3.02 5.55 3.00 -1.26 -5.05 118.16 115.10 1a5j n LYS 58 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.24 1a5j n LYS 58 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1a5j n LYS 59 N 0.00 -0.40 0.00 1.64 4.76 -1.26 -4.66 118.16 118.24 1a5j n LYS 59 Ca 0.00 0.77 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 1a5j n LYS 59 Cb 0.00 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1a5j n LYS 59 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1a5j n SER 60 N 1.15 0.00 0.00 4.39 3.41 -1.26 -5.04 113.62 116.27 1a5j n SER 60 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1a5j n SER 60 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 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 -0.13 0.00 -4.06 4.04 7.64 -1.26 -4.69 113.62 115.15 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 0.59 0.00 1.43 0.52 -1.26 -5.03 118.94 115.19 1a5j s TRP 62 Ca 0.00 0.88 0.00 0.00 0.02 0.00 0.00 56.10 57.00 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 -4.29 0.00 0.25 0.02 0.00 0.00 176.95 172.93 1a5j n THR 63 N -5.17 0.00 0.00 2.01 -2.24 -1.26 -4.40 114.28 103.22 1a5j n THR 63 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1a5j n THR 63 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -0.48 -0.78 -0.58 -1.26 -2.75 120.64 114.80 1a5j n GLU 64 Ca 0.00 0.00 0.39 0.00 -0.42 0.00 0.00 57.16 57.13 1a5j n GLU 64 Cb 0.00 -0.48 0.68 0.00 -0.57 0.00 0.00 31.44 31.07 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 0.08 -0.73 3.49 4.11 -1.99 1.84 114.58 121.38 1a5j h GLU 65 Ca 0.00 -0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1a5j h GLU 65 Cb 0.00 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1a5j h GLU 65 CO 0.00 0.05 0.26 0.93 0.07 0.00 0.00 179.01 180.32 1a5j h GLU 66 N 0.08 1.11 -0.15 1.06 5.08 -1.98 0.20 114.58 119.98 1a5j h GLU 66 Ca 0.81 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.92 1a5j h GLU 66 Cb 2.71 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.78 1a5j h GLU 66 CO -0.30 0.93 -0.02 0.22 -1.00 0.00 0.00 179.01 178.84 1a5j h ASP 67 N 1.06 0.27 0.69 1.42 1.82 0.30 -2.71 116.42 119.26 1a5j h ASP 67 Ca 0.24 -0.34 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 1a5j h ASP 67 Cb 0.26 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1a5j h ASP 67 CO -0.01 0.55 -0.37 0.03 -1.61 0.00 0.00 179.24 177.82 1a5j h ARG 68 N -0.01 -0.94 0.00 0.28 2.47 -1.02 0.32 114.38 115.48 1a5j h ARG 68 Ca 0.04 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1a5j h ARG 68 Cb 0.42 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.95 1a5j h ARG 68 CO 0.01 -0.62 0.00 -0.89 0.56 0.00 0.00 179.97 179.03 1a5j n ILE 69 N -4.74 0.00 -0.18 2.04 5.41 0.68 0.19 119.36 122.76 1a5j n ILE 69 Ca -0.12 1.28 -0.03 0.00 1.00 0.00 0.00 62.75 64.88 1a5j n ILE 69 Cb 0.39 -1.72 0.04 0.00 -0.71 0.00 0.00 39.64 37.65 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 0.37 0.00 1.39 2.04 -1.51 2.10 117.51 121.91 1a5j h ILE 70 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1a5j h ILE 70 Cb 0.00 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1a5j h ILE 70 CO 0.00 0.00 0.03 0.33 0.00 0.00 0.00 178.15 178.51 1a5j n PHE 71 N -5.41 0.62 -0.87 1.37 -0.00 0.12 -0.24 117.46 113.05 1a5j n PHE 71 Ca 0.05 0.32 0.04 0.00 -0.00 0.00 0.00 57.45 57.87 1a5j n PHE 71 Cb 0.31 -1.00 0.06 0.00 -0.00 0.00 0.00 39.48 38.85 1a5j n PHE 71 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1a5j n GLU 72 N -2.15 1.47 -0.00 -4.13 -0.58 0.51 -4.60 120.64 111.17 1a5j n GLU 72 Ca -0.01 -1.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 1a5j n GLU 72 Cb 0.06 -1.07 -0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a5j n ALA 73 N -0.75 2.01 0.06 0.62 0.00 0.59 -4.49 120.51 118.55 1a5j n ALA 73 Ca 0.07 -0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.53 1a5j n ALA 73 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.00 -1.38 -3.06 115.15 110.12 1a5j h HIS 74 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1a5j h HIS 74 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1a5j h HIS 74 CO 0.00 0.46 0.00 0.36 -0.00 0.00 0.00 177.93 178.75 1a5j n LYS 75 N -2.90 2.76 -0.03 5.26 2.85 -1.26 -2.82 118.16 122.03 1a5j n LYS 75 Ca -0.06 -2.27 -0.03 0.00 -1.05 0.00 0.00 58.31 54.90 1a5j n LYS 75 Cb 0.77 -1.60 -0.04 0.00 -0.65 0.00 0.00 35.03 33.51 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 1.14 0.35 0.00 0.58 0.31 -1.23 -4.95 118.33 114.53 1a5j n VAL 76 Ca 0.21 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1a5j n VAL 76 Cb 0.62 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.29 0.00 0.00 7.52 4.32 -1.16 -5.11 117.00 120.28 1a5j n LEU 77 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.90 1a5j n LEU 77 Cb 0.65 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1a5j n LEU 77 CO 0.10 -0.23 0.00 0.61 -1.22 0.00 0.00 177.39 176.65 1a5j n GLY 78 N 3.63 2.95 2.36 -0.72 0.00 -1.13 -4.87 105.19 107.42 1a5j n GLY 78 Ca 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.89 -2.05 1.61 0.23 -1.26 -4.66 115.26 108.23 1a5j n ASN 79 Ca 0.00 0.21 -0.14 0.00 -0.53 0.00 0.00 54.58 54.12 1a5j n ASN 79 Cb 0.00 -0.87 -0.11 0.00 -2.08 0.00 0.00 39.78 36.72 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 -2.19 1.97 -0.30 -3.83 3.00 -1.26 -4.51 116.66 109.53 1a5j n ARG 80 Ca 0.01 -1.23 0.17 0.00 -0.01 0.00 0.00 57.85 56.79 1a5j n ARG 80 Cb 0.40 -1.90 0.43 0.00 0.00 0.00 0.00 32.46 31.39 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 2.69 0.78 0.00 -1.55 4.06 -1.88 2.18 115.95 122.23 1a5j h TRP 81 Ca 0.22 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.20 1a5j h TRP 81 Cb 1.24 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1a5j h TRP 81 CO 1.48 0.19 0.07 0.00 -3.56 0.00 0.00 178.44 176.62 1a5j h ALA 82 N 1.62 1.07 0.00 1.49 0.00 -1.87 -0.68 119.26 120.89 1a5j h ALA 82 Ca 0.52 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.24 1a5j h ALA 82 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1a5j h ALA 82 CO -0.27 -0.07 -1.73 -0.85 0.00 0.00 0.00 179.25 176.34 1a5j n GLU 83 N -2.91 1.04 0.06 0.00 -0.00 0.62 -4.19 120.64 115.26 1a5j n GLU 83 Ca -0.03 0.05 -0.11 0.00 -0.00 0.00 0.00 57.16 57.07 1a5j n GLU 83 Cb 0.13 -1.26 -0.05 0.00 -0.00 0.00 0.00 31.44 30.26 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 0.44 -0.91 3.84 1.08 0.26 0.68 117.51 122.90 1a5j h ILE 84 Ca -0.29 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 1a5j h ILE 84 Cb 1.51 0.44 -0.05 0.00 -3.07 0.00 0.00 36.82 35.66 1a5j h ILE 84 CO -0.02 0.00 0.60 0.00 -0.69 0.00 0.00 178.15 178.04 1a5j h ALA 85 N 0.45 1.38 -0.31 1.87 0.00 -1.37 0.04 119.26 121.33 1a5j h ALA 85 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 85 Cb 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1a5j h ALA 85 CO -0.21 0.56 -0.01 0.87 0.00 0.00 0.00 179.25 180.46 1a5j h LYS 86 N 1.20 0.47 -0.10 0.00 1.57 -1.34 0.98 116.57 119.34 1a5j h LYS 86 Ca 0.34 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1a5j h LYS 86 Cb -0.08 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1a5j h LYS 86 CO -0.09 0.51 0.00 1.28 -0.57 0.00 0.00 179.45 180.58 1a5j n LEU 87 N -4.29 0.74 -4.80 2.94 7.99 0.23 -4.82 117.00 114.98 1a5j n LEU 87 Ca 0.01 -0.34 -0.22 0.00 -0.01 0.00 0.00 56.01 55.46 1a5j n LEU 87 Cb 0.24 -0.07 -0.05 0.00 -0.11 0.00 0.00 43.42 43.43 1a5j n LEU 87 CO 0.38 0.17 -0.17 -0.76 -1.51 0.00 0.00 177.39 175.50 1a5j s LEU 88 N -1.33 3.65 0.00 2.23 1.43 0.34 -5.00 118.68 120.01 1a5j s LEU 88 Ca 0.21 -0.39 0.23 0.00 -1.03 0.00 0.00 54.13 53.15 1a5j s LEU 88 Cb 0.11 -2.20 1.22 0.00 0.03 0.00 0.00 46.19 45.35 1a5j s LEU 88 CO 0.16 -0.12 1.75 -0.81 0.23 0.00 0.00 176.35 177.57 1a5j n PRO 89 N -1.18 0.43 0.00 1.29 -0.04 -1.26 -4.90 135.00 129.34 1a5j n PRO 89 Ca -0.06 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1a5j n PRO 89 Cb 0.59 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1a5j n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5j n GLY 90 N 0.60 1.32 3.67 0.55 0.00 -1.26 -5.16 105.19 104.91 1a5j n GLY 90 Ca 0.13 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -0.60 -2.73 1.61 5.12 -1.26 -4.71 116.66 114.09 1a5j n ARG 91 Ca 0.00 0.39 -0.07 0.00 -1.93 0.00 0.00 57.85 56.25 1a5j n ARG 91 Cb 0.00 -0.73 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 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 -1.40 0.00 0.09 0.55 -2.24 -1.26 -4.88 114.28 105.13 1a5j n THR 92 Ca 0.00 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 60.88 1a5j n THR 92 Cb 0.14 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.64 0.32 1.10 3.42 2.03 -1.93 -2.40 116.42 119.60 1a5j h ASP 93 Ca -0.08 -0.29 -0.03 0.00 -0.73 0.00 0.00 57.03 55.90 1a5j h ASP 93 Cb 0.39 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1a5j h ASP 93 CO 0.12 1.15 -0.14 -1.13 -1.03 0.00 0.00 179.24 178.20 1a5j h ASN 94 N 0.10 0.00 0.09 4.15 -1.24 -1.97 -0.59 115.58 116.12 1a5j h ASN 94 Ca -0.07 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.93 1a5j h ASN 94 Cb 1.69 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.74 1a5j h ASN 94 CO 0.16 0.14 -0.04 0.00 -1.29 0.00 0.00 177.43 176.40 1a5j h ALA 95 N 1.86 -0.13 0.53 1.57 0.00 -1.93 -3.07 119.26 118.10 1a5j h ALA 95 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 95 Cb 0.73 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1a5j h ALA 95 CO 0.02 -0.12 -0.49 0.28 0.00 0.00 0.00 179.25 178.94 1a5j h VAL 96 N -0.90 0.00 -0.84 0.00 2.07 -1.47 0.75 116.25 115.84 1a5j h VAL 96 Ca -0.01 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.66 1a5j h VAL 96 Cb 0.09 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.71 1a5j h VAL 96 CO 0.02 0.00 -0.27 1.17 0.02 0.00 0.00 177.57 178.50 1a5j n LYS 97 N -5.41 -0.14 0.17 1.57 4.81 -0.23 0.62 118.16 119.55 1a5j n LYS 97 Ca -0.12 1.31 -0.14 0.00 -0.87 0.00 0.00 58.31 58.49 1a5j n LYS 97 Cb 0.45 -1.95 -0.08 0.00 0.02 0.00 0.00 35.03 33.47 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 -0.37 -0.88 3.14 -0.73 -1.31 -2.37 115.58 113.06 1a5j h ASN 98 Ca 0.35 -0.14 0.26 0.00 1.87 0.00 0.00 56.30 58.63 1a5j h ASN 98 Cb 0.56 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.21 1a5j h ASN 98 CO -0.85 -0.05 0.93 -0.74 -0.37 0.00 0.00 177.43 176.35 1a5j h HIS 99 N -0.72 0.00 0.01 0.67 2.76 0.61 0.86 115.15 119.34 1a5j h HIS 99 Ca -0.05 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 1a5j h HIS 99 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1a5j h HIS 99 CO 0.01 0.00 -0.00 2.35 -1.30 0.00 0.00 177.93 178.99 1a5j h TRP 100 N 0.00 -0.01 0.00 5.26 -0.00 0.68 -2.35 115.95 119.53 1a5j h TRP 100 Ca 0.42 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.31 1a5j h TRP 100 Cb 2.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 31.44 1a5j h TRP 100 CO 0.00 -0.00 0.00 0.09 -0.00 0.00 0.00 178.44 178.53 1a5j n ASN 101 N -2.02 0.00 0.00 2.65 3.02 0.12 -1.09 115.26 117.94 1a5j n ASN 101 Ca -0.00 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1a5j n ASN 101 Cb 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 -1.24 0.00 0.00 6.41 7.64 0.28 -4.70 113.62 122.00 1a5j n SER 102 Ca 0.06 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1a5j n SER 102 Cb 0.08 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 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 -0.50 0.00 -0.62 0.44 -1.04 -0.93 -4.66 114.28 106.96 1a5j n THR 103 Ca 0.00 -0.27 -0.17 0.00 -2.04 0.00 0.00 64.05 61.57 1a5j n THR 103 Cb 0.00 0.79 0.08 0.00 -1.82 0.00 0.00 70.33 69.38 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 -0.97 2.61 -3.24 12.58 5.41 -0.33 -4.52 119.36 130.90 1a5j n ILE 104 Ca 0.00 -1.50 -0.15 0.00 1.00 0.00 0.00 62.75 62.10 1a5j n ILE 104 Cb 0.00 -0.96 -0.06 0.00 -0.71 0.00 0.00 39.64 37.92 1a5j n ILE 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1a5j s LYS 105 N -2.11 0.80 0.00 0.38 -0.14 -0.25 -4.62 119.74 113.80 1a5j s LYS 105 Ca 0.36 -1.09 0.00 0.00 -1.36 0.00 0.00 55.97 53.88 1a5j s LYS 105 Cb 0.29 -0.65 0.00 0.00 -1.68 0.00 0.00 37.83 35.80 1a5j s LYS 105 CO 0.03 -1.26 0.73 2.89 -0.76 0.00 0.00 175.35 176.99 1a5j n ARG 106 N 3.73 0.00 -1.97 1.68 0.00 -1.26 -4.26 116.66 114.57 1a5j n ARG 106 Ca 0.16 0.47 -0.27 0.00 -0.00 0.00 0.00 57.85 58.21 1a5j n ARG 106 Cb 0.49 -1.35 -0.05 0.00 -0.00 0.00 0.00 32.46 31.55 1a5j n ARG 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1a5j s LYS 107 N -2.41 2.43 -0.18 2.89 2.20 -1.26 -4.62 119.74 118.80 1a5j s LYS 107 Ca 0.00 -0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 55.47 1a5j s LYS 107 Cb 0.00 -4.92 -0.08 0.00 -1.51 0.00 0.00 37.83 31.33 1a5j s LYS 107 CO 0.00 -3.42 -0.28 0.28 -0.36 0.00 0.00 175.35 171.58 1a5j n VAL 108 N 7.90 1.28 -3.69 4.02 0.31 -1.26 -5.03 118.33 121.85 1a5j n VAL 108 Ca 0.38 -0.11 -0.23 0.00 -0.01 0.00 0.00 64.34 64.36 1a5j n VAL 108 Cb 0.47 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 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 -4.07 -4.41 0.00 4.52 2.03 -1.26 -5.24 116.55 108.11 1a5j n ASP 109 Ca -0.31 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.12 1a5j n ASP 109 Cb 0.65 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69