#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 1.82 0.00 -0.61 -4.36 -1.26 -5.07 121.20 111.72 1a5j s ILE 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1a5j s ILE 2 Cb 0.00 -2.77 0.00 0.00 1.25 0.00 0.00 42.46 40.94 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 -4.21 1.06 -0.65 0.37 -0.04 -1.26 -5.02 135.00 125.26 1a5j n PRO 3 Ca 0.14 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.31 1a5j n PRO 3 Cb 0.59 0.00 0.23 0.00 -0.04 0.00 0.00 33.50 34.28 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 1.55 -0.09 3.54 2.15 -1.26 -4.52 116.67 116.79 1a5j s ASP 4 Ca 0.00 1.61 -0.06 0.00 0.43 0.00 0.00 52.55 54.53 1a5j s ASP 4 Cb 0.00 -2.31 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 1a5j s ASP 4 CO 0.00 -3.86 0.13 0.18 -0.17 0.00 0.00 175.17 171.44 1a5j n LEU 5 N -4.70 -5.31 0.00 -1.34 4.32 -1.26 -4.97 117.00 103.74 1a5j n LEU 5 Ca 0.05 1.72 0.00 0.00 -0.02 0.00 0.00 56.01 57.76 1a5j n LEU 5 Cb 0.54 -2.47 0.00 0.00 -1.62 0.00 0.00 43.42 39.87 1a5j n LEU 5 CO 0.56 -3.41 0.00 0.52 -1.22 0.00 0.00 177.39 173.84 1a5j n VAL 6 N 2.10 0.00 -2.16 4.08 0.31 -1.26 -4.22 118.33 117.19 1a5j n VAL 6 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1a5j n VAL 6 Cb 0.33 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 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 -2.59 0.00 5.55 4.01 -1.26 -3.37 118.16 120.49 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 -4.08 0.00 0.00 -0.51 0.00 0.00 35.03 30.44 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 -0.40 0.82 3.67 0.72 0.00 -1.26 -5.08 105.19 103.66 1a5j n GLY 8 Ca 0.00 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.20 4.29 0.49 1.61 0.04 -1.22 -5.00 135.00 135.01 1a5j s PRO 9 Ca 0.00 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.52 1a5j s PRO 9 Cb 0.00 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 30.80 1a5j s PRO 9 CO 0.00 -0.59 1.09 -1.58 0.04 0.00 0.00 177.00 175.97 1a5j s TRP 10 N 2.87 2.90 0.00 0.56 0.52 -1.26 -5.04 118.94 119.49 1a5j s TRP 10 Ca 0.56 1.57 0.00 0.00 0.02 0.00 0.00 56.10 58.25 1a5j s TRP 10 Cb -0.24 -3.20 0.00 0.00 -1.15 0.00 0.00 33.47 28.88 1a5j s TRP 10 CO 0.19 -1.17 0.00 0.25 0.02 0.00 0.00 176.95 176.24 1a5j n THR 11 N -0.86 0.00 -0.40 2.01 -2.24 -1.26 -4.96 114.28 106.56 1a5j n THR 11 Ca 0.09 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1a5j n THR 11 Cb 0.51 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 1a5j n THR 11 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1a5j h LYS 12 N 0.00 -0.02 -0.89 -0.78 3.64 -1.98 0.31 116.57 116.86 1a5j h LYS 12 Ca 0.00 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1a5j h LYS 12 Cb 0.00 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 31.69 1a5j h LYS 12 CO 0.00 -0.01 -0.48 1.49 -2.27 0.00 0.00 179.45 178.18 1a5j h GLU 13 N -0.02 -0.06 -0.69 1.90 4.22 -1.98 1.02 114.58 118.97 1a5j h GLU 13 Ca 0.19 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.75 1a5j h GLU 13 Cb 0.45 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 1a5j h GLU 13 CO -0.93 -0.04 0.27 0.93 -2.18 0.00 0.00 179.01 177.06 1a5j h GLU 14 N -0.06 0.43 -0.57 1.92 3.07 -0.86 0.08 114.58 118.60 1a5j h GLU 14 Ca 0.23 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.05 1a5j h GLU 14 Cb 0.52 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.31 1a5j h GLU 14 CO -0.89 0.29 0.28 -0.44 -1.40 0.00 0.00 179.01 176.85 1a5j h ASP 15 N 0.45 0.73 -0.19 1.42 5.19 0.24 -0.97 116.42 123.29 1a5j h ASP 15 Ca 0.36 -0.12 0.06 0.00 -0.62 0.00 0.00 57.03 56.71 1a5j h ASP 15 Cb 0.49 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1a5j h ASP 15 CO -0.35 0.65 0.35 0.06 -3.12 0.00 0.00 179.24 176.83 1a5j h GLN 16 N 0.77 0.00 0.18 3.56 -0.00 0.27 -0.10 115.11 119.79 1a5j h GLN 16 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.84 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 -0.03 0.00 -0.09 -0.22 -0.00 0.00 0.00 178.83 178.50 1a5j h LYS 17 N 0.00 -0.23 -0.73 0.06 3.64 -0.57 -2.26 116.57 116.48 1a5j h LYS 17 Ca 0.09 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 1a5j h LYS 17 Cb 0.78 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.52 1a5j h LYS 17 CO -0.00 0.16 -0.14 0.28 -2.27 0.00 0.00 179.45 177.49 1a5j h VAL 18 N -0.73 0.29 -0.81 2.00 2.07 -0.98 1.33 116.25 119.42 1a5j h VAL 18 Ca -0.02 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1a5j h VAL 18 Cb 0.51 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1a5j h VAL 18 CO 0.04 0.00 0.53 0.40 0.02 0.00 0.00 177.57 178.57 1a5j h ILE 19 N 0.02 1.11 0.00 4.57 5.03 -1.49 0.35 117.51 127.10 1a5j h ILE 19 Ca 0.36 -0.33 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1a5j h ILE 19 Cb 0.58 0.05 0.00 0.00 -3.03 0.00 0.00 36.82 34.42 1a5j h ILE 19 CO -0.72 0.18 0.00 -0.33 -0.68 0.00 0.00 178.15 176.59 1a5j h GLU 20 N 0.97 0.00 0.00 2.37 5.08 0.19 -2.15 114.58 121.04 1a5j h GLU 20 Ca 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1a5j h GLU 20 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1a5j h GLU 20 CO -0.10 0.00 -0.26 -0.07 -1.00 0.00 0.00 179.01 177.58 1a5j h LEU 21 N 0.00 0.00 -2.36 1.33 3.38 0.43 -2.77 115.31 115.32 1a5j h LEU 21 Ca 0.00 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1a5j h LEU 21 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1a5j h LEU 21 CO 0.00 0.63 0.15 0.58 0.09 0.00 0.00 178.44 179.89 1a5j h VAL 22 N -1.00 0.37 0.21 1.22 2.07 -0.60 1.07 116.25 119.60 1a5j h VAL 22 Ca -0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 22 Cb 0.26 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1a5j h VAL 22 CO -0.00 0.00 -0.10 0.11 0.02 0.00 0.00 177.57 177.60 1a5j h LYS 23 N 0.00 -0.28 0.00 1.57 1.79 -1.50 1.00 116.57 119.15 1a5j h LYS 23 Ca 0.05 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1a5j h LYS 23 Cb 0.35 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1a5j h LYS 23 CO -0.00 0.07 -0.03 -0.22 -1.08 0.00 0.00 179.45 178.18 1a5j h LYS 24 N -0.95 0.00 0.00 3.15 3.11 -1.01 -3.21 116.57 117.67 1a5j h LYS 24 Ca -0.03 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 1a5j h LYS 24 Cb 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1a5j h LYS 24 CO 0.05 0.03 -0.31 1.88 -2.81 0.00 0.00 179.45 178.29 1a5j h TYR 25 N 0.00 0.00 -4.23 1.91 -1.99 0.12 -3.50 116.97 109.28 1a5j h TYR 25 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1a5j h TYR 25 Cb 0.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 1a5j h TYR 25 CO 0.00 0.18 -0.22 0.41 -0.00 0.00 0.00 178.16 178.52 1a5j n GLY 26 N 1.67 0.00 0.17 3.88 0.00 0.35 -4.82 105.19 106.44 1a5j n GLY 26 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1a5j n GLY 26 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a5j n THR 27 N 1.68 0.00 0.00 2.61 5.66 -1.26 -5.03 114.28 117.95 1a5j n THR 27 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1a5j n THR 27 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1a5j n THR 27 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1a5j n LYS 28 N -3.03 0.00 -3.99 1.09 5.02 -1.26 -5.12 118.16 110.87 1a5j n LYS 28 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1a5j n LYS 28 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 34.86 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a5j s GLN 29 N 0.00 1.60 0.00 1.97 -0.21 -1.26 -4.85 119.66 116.92 1a5j s GLN 29 Ca 0.00 -2.08 0.07 0.00 0.02 0.00 0.00 55.36 53.37 1a5j s GLN 29 Cb 0.00 -3.21 -0.04 0.00 1.00 0.00 0.00 33.01 30.76 1a5j s GLN 29 CO 0.00 -0.99 0.38 0.91 -2.12 0.00 0.00 175.29 173.47 1a5j n TRP 30 N 3.94 0.00 0.05 0.91 7.02 -1.26 -4.54 117.44 123.56 1a5j n TRP 30 Ca 0.04 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.32 1a5j n TRP 30 Cb 0.39 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.17 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 0.34 1.28 -0.24 -0.99 1.03 -1.99 -3.28 112.91 109.04 1a5j h THR 31 Ca 0.00 -2.27 0.06 0.00 -0.01 0.00 0.00 66.41 64.19 1a5j h THR 31 Cb 0.19 2.42 -0.06 0.00 -1.07 0.00 0.00 68.15 69.62 1a5j h THR 31 CO 0.00 0.70 -0.16 0.17 -0.01 0.00 0.00 175.52 176.22 1a5j h LEU 32 N 0.39 -0.52 -0.89 0.00 8.10 -1.96 1.81 115.31 122.24 1a5j h LEU 32 Ca -0.14 0.11 0.22 0.00 0.11 0.00 0.00 57.88 58.18 1a5j h LEU 32 Cb 1.73 0.27 -0.16 0.00 -0.44 0.00 0.00 40.66 42.06 1a5j h LEU 32 CO 0.21 -0.20 -0.01 0.40 -4.11 0.00 0.00 178.44 174.73 1a5j h ILE 33 N -0.14 0.16 0.00 0.15 5.03 -1.82 3.80 117.51 124.69 1a5j h ILE 33 Ca 0.14 -0.02 -0.08 0.00 -0.12 0.00 0.00 64.86 64.78 1a5j h ILE 33 Cb 0.35 0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 34.23 1a5j h ILE 33 CO -0.33 0.01 -0.52 0.00 -0.68 0.00 0.00 178.15 176.63 1a5j h ALA 34 N 1.86 0.74 -0.09 1.87 0.00 -1.17 0.91 119.26 123.38 1a5j h ALA 34 Ca 0.50 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.83 1a5j h ALA 34 Cb 0.94 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1a5j h ALA 34 CO -0.82 0.47 -0.81 -0.22 0.00 0.00 0.00 179.25 177.87 1a5j h LYS 35 N 0.00 0.62 0.00 0.00 3.64 1.54 -3.23 116.57 119.14 1a5j h LYS 35 Ca -0.02 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.81 1a5j h LYS 35 Cb 1.29 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.24 1a5j h LYS 35 CO 0.04 1.16 -0.25 0.45 -2.27 0.00 0.00 179.45 178.58 1a5j h HIS 36 N 0.41 0.00 -1.65 1.91 3.86 0.63 -3.40 115.15 116.91 1a5j h HIS 36 Ca -0.06 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.42 1a5j h HIS 36 Cb 1.43 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.75 1a5j h HIS 36 CO 0.07 0.09 1.77 1.28 0.86 0.00 0.00 177.93 182.00 1a5j n LEU 37 N -4.70 5.72 0.00 2.43 4.77 0.31 -4.96 117.00 120.58 1a5j n LEU 37 Ca -0.04 -4.43 0.00 0.00 -0.03 0.00 0.00 56.01 51.50 1a5j n LEU 37 Cb 0.15 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 1a5j n LEU 37 CO 0.06 0.88 0.00 0.29 -1.33 0.00 0.00 177.39 177.29 1a5j n LYS 38 N 5.45 0.82 0.00 3.23 4.01 -1.22 -4.46 118.16 125.98 1a5j n LYS 38 Ca 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.20 1a5j n LYS 38 Cb 0.41 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 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 5.00 2.36 1.77 0.72 0.00 -1.26 -4.89 105.19 108.89 1a5j n GLY 39 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 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 0.43 -2.26 1.61 3.00 -1.26 -5.01 116.66 113.16 1a5j n ARG 40 Ca 0.00 -1.31 -0.40 0.00 -0.01 0.00 0.00 57.85 56.13 1a5j n ARG 40 Cb 0.00 1.38 -0.03 0.00 0.00 0.00 0.00 32.46 33.81 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 4.38 -0.01 0.55 2.01 -1.26 -4.87 118.68 119.49 1a5j s LEU 41 Ca 0.12 2.47 -0.32 0.00 0.01 0.00 0.00 54.13 56.42 1a5j s LEU 41 Cb -0.01 -3.77 -0.16 0.00 0.01 0.00 0.00 46.19 42.27 1a5j s LEU 41 CO 0.09 -0.48 0.85 0.61 1.01 0.00 0.00 176.35 178.43 1a5j n GLY 42 N 0.85 -0.21 3.51 -3.19 0.00 -1.26 -4.43 105.19 100.46 1a5j n GLY 42 Ca 0.01 0.60 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 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 1.23 0.18 -3.42 1.61 3.00 -1.26 -2.40 118.16 117.09 1a5j n LYS 43 Ca 0.16 -0.09 -0.34 0.00 -0.00 0.00 0.00 58.31 58.04 1a5j n LYS 43 Cb 0.06 -1.78 0.03 0.00 0.00 0.00 0.00 35.03 33.34 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 7.50 -1.71 -1.52 1.64 3.00 -1.26 -4.44 117.38 120.59 1a5j n GLN 44 Ca 0.61 1.18 -0.30 0.00 -0.01 0.00 0.00 57.00 58.48 1a5j n GLN 44 Cb 0.17 -1.89 -0.13 0.00 0.00 0.00 0.00 30.24 28.40 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 7.95 -0.71 0.00 0.00 1.74 -1.26 -5.03 116.66 119.35 1a5j n ARG 46 Ca 0.56 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.58 1a5j n ARG 46 Cb 0.26 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.00 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 0.24 0.00 -0.06 5.56 1.02 -1.25 -4.87 120.64 121.29 1a5j n GLU 47 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1a5j n GLU 47 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1a5j n GLU 47 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1a5j h ARG 48 N 0.00 0.65 0.00 3.49 1.12 -1.88 -2.79 114.38 114.97 1a5j h ARG 48 Ca 0.00 -0.45 -0.06 0.00 -1.11 0.00 0.00 59.98 58.36 1a5j h ARG 48 Cb 0.00 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 1a5j h ARG 48 CO 0.00 1.07 -1.56 -2.67 -3.11 0.00 0.00 179.97 173.70 1a5j n TRP 49 N -4.19 0.00 -0.28 2.20 2.14 -1.26 -4.49 117.44 111.56 1a5j n TRP 49 Ca -0.06 0.00 -0.06 0.00 2.07 0.00 0.00 57.50 59.45 1a5j n TRP 49 Cb 0.57 -0.33 0.06 0.00 -0.81 0.00 0.00 31.31 30.80 1a5j n TRP 49 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1a5j h HIS 50 N 0.00 1.16 -3.10 -2.67 3.86 -1.90 -3.44 115.15 109.07 1a5j h HIS 50 Ca -0.09 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 1a5j h HIS 50 Cb 0.87 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1a5j h HIS 50 CO 0.00 0.89 0.00 0.09 0.86 0.00 0.00 177.93 179.77 1a5j n ASN 51 N -4.31 0.80 0.00 2.45 5.03 -1.05 -4.63 115.26 113.54 1a5j n ASN 51 Ca 0.07 -0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.42 1a5j n ASN 51 Cb 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.95 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1a5j n HIS 52 N -0.06 0.00 -3.48 3.10 8.25 -1.26 -4.57 115.22 117.20 1a5j n HIS 52 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1a5j n HIS 52 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1a5j n LEU 53 N 0.00 0.28 0.00 2.41 7.94 -1.26 -4.93 117.00 121.43 1a5j n LEU 53 Ca 0.00 -4.56 0.00 0.00 -1.11 0.00 0.00 56.01 50.34 1a5j n LEU 53 Cb 0.00 0.28 0.00 0.00 0.53 0.00 0.00 43.42 44.23 1a5j n LEU 53 CO 0.00 1.85 0.00 -3.20 -1.11 0.00 0.00 177.39 174.93 1a5j n ASN 54 N 2.57 0.00 -3.25 1.96 2.85 -1.26 -5.01 115.26 113.12 1a5j n ASN 54 Ca 0.28 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 1a5j n ASN 54 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 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 0.00 1.45 -3.91 1.20 -0.04 -1.26 -4.96 135.00 127.48 1a5j n PRO 55 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1a5j n PRO 55 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 1a5j n PRO 55 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1a5j s GLU 56 N 0.00 0.49 -0.00 0.54 2.12 -1.26 -4.69 118.70 115.89 1a5j s GLU 56 Ca 0.00 -0.56 0.06 0.00 0.36 0.00 0.00 54.97 54.83 1a5j s GLU 56 Cb 0.00 0.19 -0.06 0.00 0.26 0.00 0.00 34.13 34.52 1a5j s GLU 56 CO 0.00 -0.11 0.23 0.28 -0.54 0.00 0.00 175.26 175.11 1a5j n VAL 57 N 1.24 0.00 -3.17 3.70 0.31 -1.26 -4.98 118.33 114.18 1a5j n VAL 57 Ca -0.22 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 1a5j n VAL 57 Cb 0.56 0.93 0.00 0.00 -0.91 0.00 0.00 33.84 34.42 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 -1.20 -0.99 -0.89 5.55 3.00 -1.26 -5.00 118.16 117.37 1a5j n LYS 58 Ca 0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.07 1a5j n LYS 58 Cb 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.09 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 2.46 0.00 1.64 5.02 -1.26 -4.23 118.16 121.79 1a5j n LYS 59 Ca 0.00 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 1a5j n LYS 59 Cb 0.00 -2.48 0.00 0.00 -0.02 0.00 0.00 35.03 32.53 1a5j n LYS 59 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a5j n SER 60 N 3.85 0.00 0.00 4.39 3.41 -1.26 -5.10 113.62 118.91 1a5j n SER 60 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1a5j n SER 60 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.00 0.00 -2.29 4.04 7.64 -1.26 -5.06 113.62 116.69 1a5j n SER 61 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1a5j n SER 61 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1a5j n SER 61 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a5j n TRP 62 N 0.00 -2.67 -3.77 1.43 7.02 -1.26 -5.02 117.44 113.16 1a5j n TRP 62 Ca 0.00 -0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.27 1a5j n TRP 62 Cb 0.00 -0.05 0.00 0.00 -2.42 0.00 0.00 31.31 28.84 1a5j n TRP 62 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1a5j n THR 63 N -1.04 0.00 0.00 -0.99 -2.24 -1.26 -4.01 114.28 104.74 1a5j n THR 63 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1a5j n THR 63 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 -0.32 -0.78 1.02 -1.26 -2.59 120.64 116.71 1a5j n GLU 64 Ca 0.00 0.30 0.17 0.00 -0.02 0.00 0.00 57.16 57.61 1a5j n GLU 64 Cb 0.00 -0.95 0.36 0.00 -0.02 0.00 0.00 31.44 30.84 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1a5j h GLU 65 N 0.00 0.31 0.00 3.49 5.08 -1.99 2.17 114.58 123.65 1a5j h GLU 65 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a5j h GLU 65 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 1a5j h GLU 65 CO 0.00 0.21 -0.01 0.93 -1.00 0.00 0.00 179.01 179.14 1a5j h GLU 66 N 0.32 0.00 0.04 2.33 5.08 -1.98 0.35 114.58 120.72 1a5j h GLU 66 Ca 0.62 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1a5j h GLU 66 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1a5j h GLU 66 CO -0.60 0.01 -0.02 0.22 -1.00 0.00 0.00 179.01 177.62 1a5j h ASP 67 N 0.00 -0.05 -0.73 1.42 3.58 0.38 -2.72 116.42 118.30 1a5j h ASP 67 Ca -0.00 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.56 1a5j h ASP 67 Cb 0.04 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 41.02 1a5j h ASP 67 CO 0.00 0.32 0.35 0.08 -2.88 0.00 0.00 179.24 177.11 1a5j h ARG 68 N -0.77 0.56 0.00 0.28 0.11 -1.12 0.53 114.38 113.97 1a5j h ARG 68 Ca -0.01 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1a5j h ARG 68 Cb 0.04 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.00 1a5j h ARG 68 CO 0.01 0.37 0.00 -0.89 0.10 0.00 0.00 179.97 179.56 1a5j n ILE 69 N -4.89 0.00 -0.31 0.08 5.41 0.12 -1.43 119.36 118.34 1a5j n ILE 69 Ca 0.12 1.19 0.14 0.00 1.00 0.00 0.00 62.75 65.19 1a5j n ILE 69 Cb 0.31 -2.10 0.29 0.00 -0.71 0.00 0.00 39.64 37.43 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 0.17 -1.06 1.39 2.04 -1.39 1.87 117.51 120.53 1a5j h ILE 70 Ca 0.00 -0.03 0.28 0.00 1.00 0.00 0.00 64.86 66.11 1a5j h ILE 70 Cb 0.00 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.05 1a5j h ILE 70 CO 0.00 0.02 0.68 0.15 0.00 0.00 0.00 178.15 179.00 1a5j h PHE 71 N 0.09 0.64 0.02 1.37 3.57 0.27 -0.10 116.94 122.80 1a5j h PHE 71 Ca 0.57 0.02 -0.36 0.00 3.53 0.00 0.00 57.97 61.73 1a5j h PHE 71 Cb 1.17 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 1a5j h PHE 71 CO -0.37 0.03 -2.27 -0.85 -2.23 0.00 0.00 178.31 172.62 1a5j n GLU 72 N -4.63 0.68 0.31 1.11 0.28 0.49 -4.09 120.64 114.78 1a5j n GLU 72 Ca 0.26 0.12 0.15 0.00 -0.16 0.00 0.00 57.16 57.54 1a5j n GLU 72 Cb 0.93 -1.58 0.82 0.00 1.43 0.00 0.00 31.44 33.03 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a5j h ALA 73 N 0.55 1.26 0.00 -1.84 0.00 0.36 1.62 119.26 121.23 1a5j h ALA 73 Ca -0.50 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1a5j h ALA 73 Cb 2.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 1a5j h ALA 73 CO 0.01 -0.26 -0.85 1.25 0.00 0.00 0.00 179.25 179.39 1a5j h HIS 74 N 0.00 0.00 -0.69 0.00 -0.00 -1.23 -3.18 115.15 110.06 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 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.96 1a5j h HIS 74 CO 0.00 0.17 0.00 0.36 -0.00 0.00 0.00 177.93 178.46 1a5j n LYS 75 N -2.86 3.03 -0.00 5.26 2.85 0.54 -1.88 118.16 125.10 1a5j n LYS 75 Ca -0.01 -2.65 0.03 0.00 -1.05 0.00 0.00 58.31 54.62 1a5j n LYS 75 Cb 0.63 -1.68 -0.04 0.00 -0.65 0.00 0.00 35.03 33.29 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 1.42 0.00 0.09 0.58 0.31 -0.43 -4.88 118.33 115.41 1a5j n VAL 76 Ca 0.24 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1a5j n VAL 76 Cb 0.70 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 34.11 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 -1.59 0.36 0.00 7.52 4.77 -1.20 -5.09 117.00 121.76 1a5j n LEU 77 Ca -0.01 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1a5j n LEU 77 Cb 0.13 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1a5j n LEU 77 CO 0.11 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.03 1a5j n GLY 78 N 2.42 1.65 0.76 -0.72 0.00 -0.79 -4.84 105.19 103.66 1a5j n GLY 78 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.38 -3.18 1.61 0.23 -1.26 -4.78 115.26 107.50 1a5j n ASN 79 Ca 0.00 -1.52 -0.22 0.00 -0.53 0.00 0.00 54.58 52.31 1a5j n ASN 79 Cb 0.00 0.10 -0.02 0.00 -2.08 0.00 0.00 39.78 37.79 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 0.02 2.01 -0.27 -3.83 3.00 -1.26 -4.54 116.66 111.79 1a5j n ARG 80 Ca -0.12 -1.43 0.18 0.00 -0.01 0.00 0.00 57.85 56.47 1a5j n ARG 80 Cb 0.62 -2.45 0.47 0.00 0.00 0.00 0.00 32.46 31.11 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 6.40 0.65 0.00 -1.55 4.06 -1.94 2.05 115.95 125.62 1a5j h TRP 81 Ca 0.48 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.45 1a5j h TRP 81 Cb 0.16 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.12 1a5j h TRP 81 CO 1.95 0.16 -0.00 0.00 -3.56 0.00 0.00 178.44 176.99 1a5j h ALA 82 N 1.61 1.09 0.00 1.49 0.00 -1.88 -0.89 119.26 120.68 1a5j h ALA 82 Ca 0.50 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.20 1a5j h ALA 82 Cb 1.13 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1a5j h ALA 82 CO -0.22 0.00 -2.00 0.39 0.00 0.00 0.00 179.25 177.42 1a5j n GLU 83 N -3.21 1.15 -0.32 0.00 -0.58 0.63 -3.95 120.64 114.36 1a5j n GLU 83 Ca -0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 57.16 56.62 1a5j n GLU 83 Cb 0.08 -1.41 0.08 0.00 -0.57 0.00 0.00 31.44 29.62 1a5j n GLU 83 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1a5j h ILE 84 N 0.00 1.26 0.00 -3.67 1.08 0.16 -1.30 117.51 115.03 1a5j h ILE 84 Ca -0.31 -0.66 -0.11 0.00 -0.39 0.00 0.00 64.86 63.39 1a5j h ILE 84 Cb 1.64 0.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.49 1a5j h ILE 84 CO 0.02 0.29 -0.52 0.00 -0.69 0.00 0.00 178.15 177.25 1a5j h ALA 85 N 1.24 0.84 -0.95 1.87 0.00 -1.42 -3.07 119.26 117.76 1a5j h ALA 85 Ca 0.30 -0.47 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1a5j h ALA 85 Cb 0.06 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 1a5j h ALA 85 CO -0.04 0.65 0.60 0.87 0.00 0.00 0.00 179.25 181.33 1a5j h LYS 86 N 0.00 1.04 0.00 0.00 1.57 -1.37 0.77 116.57 118.58 1a5j h LYS 86 Ca -0.01 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1a5j h LYS 86 Cb 1.15 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1a5j h LYS 86 CO 0.07 0.69 0.00 1.47 -0.57 0.00 0.00 179.45 181.10 1a5j n LEU 87 N -4.57 0.00 -4.54 2.94 -0.00 -1.04 -4.73 117.00 105.05 1a5j n LEU 87 Ca 0.15 0.15 -0.24 0.00 -0.00 0.00 0.00 56.01 56.07 1a5j n LEU 87 Cb 0.22 -0.15 -0.09 0.00 -0.00 0.00 0.00 43.42 43.40 1a5j n LEU 87 CO 0.31 -0.04 -0.40 -0.76 -0.00 0.00 0.00 177.39 176.49 1a5j s LEU 88 N -2.29 2.80 0.00 1.47 1.43 0.27 -5.00 118.68 117.35 1a5j s LEU 88 Ca 0.28 -0.97 0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1a5j s LEU 88 Cb 0.15 -1.26 0.96 0.00 0.03 0.00 0.00 46.19 46.08 1a5j s LEU 88 CO 0.30 -0.05 1.45 -0.81 0.23 0.00 0.00 176.35 177.48 1a5j n PRO 89 N -0.76 0.75 0.00 1.29 -0.04 -1.26 -4.89 135.00 130.09 1a5j n PRO 89 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1a5j n PRO 89 Cb 0.61 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.42 -0.63 3.08 0.55 0.00 -1.26 -5.00 105.19 102.35 1a5j n GLY 90 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.19 0.00 1.61 5.12 -1.26 -4.59 116.66 117.35 1a5j n ARG 91 Ca 0.00 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 1a5j n ARG 91 Cb 0.00 -3.33 0.00 0.00 -1.16 0.00 0.00 32.46 27.97 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 -2.17 0.00 -0.05 0.55 -2.24 -1.26 -3.11 114.28 106.00 1a5j n THR 92 Ca 0.00 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1a5j n THR 92 Cb 0.05 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.18 1a5j n THR 92 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1a5j n ASP 93 N -3.35 1.95 0.19 3.42 8.00 -1.26 -3.95 116.55 121.55 1a5j n ASP 93 Ca 0.00 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.64 1a5j n ASP 93 Cb 0.00 1.03 0.58 0.00 -0.02 0.00 0.00 41.12 42.71 1a5j n ASP 93 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1a5j h ASN 94 N 0.00 0.00 0.00 -2.24 2.35 -1.92 0.10 115.58 113.87 1a5j h ASN 94 Ca -0.24 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.44 1a5j h ASN 94 Cb 1.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 1a5j h ASN 94 CO 0.01 0.00 -0.71 0.00 -1.65 0.00 0.00 177.43 175.08 1a5j h ALA 95 N 2.16 0.08 -0.06 -0.83 0.00 -1.73 -3.15 119.26 115.73 1a5j h ALA 95 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 54.91 54.24 1a5j h ALA 95 Cb 0.43 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1a5j h ALA 95 CO 0.00 0.54 -0.19 0.28 0.00 0.00 0.00 179.25 179.89 1a5j h VAL 96 N -1.00 0.54 -0.11 0.00 2.07 -1.52 1.92 116.25 118.15 1a5j h VAL 96 Ca -0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.46 1a5j h VAL 96 Cb 0.74 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1a5j h VAL 96 CO -0.07 0.00 -0.36 0.50 0.02 0.00 0.00 177.57 177.67 1a5j h LYS 97 N -0.27 -0.43 0.42 1.57 3.64 -1.17 0.34 116.57 120.66 1a5j h LYS 97 Ca 0.07 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1a5j h LYS 97 Cb 0.38 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1a5j h LYS 97 CO -0.22 -0.28 -0.21 -0.97 -2.27 0.00 0.00 179.45 175.50 1a5j h ASN 98 N -0.44 -0.49 -1.38 4.20 -0.73 -1.38 -1.18 115.58 114.18 1a5j h ASN 98 Ca 0.09 0.02 0.40 0.00 1.87 0.00 0.00 56.30 58.67 1a5j h ASN 98 Cb 0.58 0.13 -0.06 0.00 0.27 0.00 0.00 38.32 39.25 1a5j h ASN 98 CO -0.36 -0.35 1.12 -0.74 -0.37 0.00 0.00 177.43 176.74 1a5j h HIS 99 N -0.57 0.00 0.18 0.67 2.76 0.36 1.16 115.15 119.71 1a5j h HIS 99 Ca -0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 1a5j h HIS 99 Cb 0.44 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.40 1a5j h HIS 99 CO -0.05 0.00 -0.09 2.35 -1.30 0.00 0.00 177.93 178.84 1a5j h TRP 100 N 0.00 -0.22 0.00 5.26 -0.00 0.35 -2.23 115.95 119.11 1a5j h TRP 100 Ca 0.65 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.54 1a5j h TRP 100 Cb 2.89 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 32.12 1a5j h TRP 100 CO 0.00 -0.14 0.00 0.09 -0.00 0.00 0.00 178.44 178.39 1a5j n ASN 101 N -2.70 0.00 0.00 2.65 3.02 0.61 -1.30 115.26 117.53 1a5j n ASN 101 Ca -0.03 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 1a5j n ASN 101 Cb 0.10 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.21 0.00 0.00 6.41 2.88 0.37 -4.70 113.62 117.37 1a5j n SER 102 Ca 0.09 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1a5j n SER 102 Cb 0.11 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.72 0.00 -0.60 2.46 -1.04 -0.88 -4.68 114.28 108.82 1a5j n THR 103 Ca 0.00 -0.28 -0.17 0.00 -2.04 0.00 0.00 64.05 61.56 1a5j n THR 103 Cb 0.00 0.84 0.08 0.00 -1.82 0.00 0.00 70.33 69.42 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 -0.86 2.58 -3.46 12.58 5.41 -0.44 -4.67 119.36 130.50 1a5j n ILE 104 Ca 0.00 -1.46 -0.20 0.00 1.00 0.00 0.00 62.75 62.09 1a5j n ILE 104 Cb 0.00 -0.96 -0.12 0.00 -0.71 0.00 0.00 39.64 37.85 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 -2.05 0.25 0.19 0.38 -0.14 -0.42 -4.63 119.74 113.32 1a5j s LYS 105 Ca 0.35 -0.09 -0.09 0.00 -1.36 0.00 0.00 55.97 54.77 1a5j s LYS 105 Cb 0.29 -0.97 0.12 0.00 -1.68 0.00 0.00 37.83 35.58 1a5j s LYS 105 CO 0.03 -0.89 1.74 0.07 -0.76 0.00 0.00 175.35 175.54 1a5j h ARG 106 N 8.31 1.08 -2.53 1.68 0.11 -1.90 -3.05 114.38 118.08 1a5j h ARG 106 Ca -0.16 -0.22 -0.46 0.00 0.10 0.00 0.00 59.98 59.23 1a5j h ARG 106 Cb 1.09 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 31.98 1a5j h ARG 106 CO 0.34 0.92 1.88 1.17 0.10 0.00 0.00 179.97 184.38 1a5j n LYS 107 N -4.32 2.98 0.00 0.08 4.81 -1.26 -3.33 118.16 117.12 1a5j n LYS 107 Ca 0.05 -1.75 0.00 0.00 -0.87 0.00 0.00 58.31 55.74 1a5j n LYS 107 Cb 0.21 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 32.83 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a5j n VAL 108 N 2.95 0.00 -2.93 3.15 0.31 -1.15 -5.04 118.33 115.62 1a5j n VAL 108 Ca 0.62 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.85 1a5j n VAL 108 Cb 0.53 -0.29 -0.02 0.00 -0.91 0.00 0.00 33.84 33.16 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a5j s ASP 109 N -3.71 -0.74 0.00 4.52 2.15 -1.21 -5.17 116.67 112.51 1a5j s ASP 109 Ca 0.00 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 50.95 1a5j s ASP 109 Cb 0.00 1.33 0.00 0.00 -0.30 0.00 0.00 42.92 43.95 1a5j s ASP 109 CO 0.00 -0.08 0.36 1.07 -0.17 0.00 0.00 175.17 176.34