#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 4.69 -2.00 -0.61 -5.25 -1.26 -4.94 121.20 111.83 1a5j s ILE 2 Ca 0.00 -1.01 0.21 0.00 -0.99 0.00 0.00 60.65 58.86 1a5j s ILE 2 Cb 0.00 -3.64 0.59 0.00 2.95 0.00 0.00 42.46 42.36 1a5j s ILE 2 CO 0.00 -0.25 1.66 -0.81 -1.79 0.00 0.00 174.94 173.75 1a5j n PRO 3 N -1.51 0.75 -2.61 0.37 -0.04 -1.26 -4.61 135.00 126.09 1a5j n PRO 3 Ca -0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.18 1a5j n PRO 3 Cb 0.58 -1.44 0.08 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.90 4.66 -1.03 3.54 2.15 -1.26 -4.15 116.67 118.68 1a5j s ASP 4 Ca 0.31 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1a5j s ASP 4 Cb 0.14 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.48 1a5j s ASP 4 CO 0.24 -1.63 0.00 0.18 -0.17 0.00 0.00 175.17 173.79 1a5j n LEU 5 N -2.67 -0.78 0.02 -1.34 4.77 -1.26 -4.50 117.00 111.24 1a5j n LEU 5 Ca 0.13 0.25 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 1a5j n LEU 5 Cb 0.60 -1.71 -0.01 0.00 -2.33 0.00 0.00 43.42 39.97 1a5j n LEU 5 CO 0.43 -0.44 -0.07 0.52 -1.33 0.00 0.00 177.39 176.50 1a5j n VAL 6 N -2.01 0.15 1.80 4.08 0.31 -1.26 -2.43 118.33 118.97 1a5j n VAL 6 Ca -0.11 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1a5j n VAL 6 Cb 0.39 0.25 0.01 0.00 -0.91 0.00 0.00 33.84 33.58 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 -1.96 1.04 0.00 5.55 4.01 -1.26 -4.30 118.16 121.24 1a5j n LYS 7 Ca 0.02 -0.06 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 1a5j n LYS 7 Cb 0.44 -1.09 0.00 0.00 -0.51 0.00 0.00 35.03 33.87 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 -1.77 0.21 0.72 0.00 -1.25 -5.18 105.19 98.37 1a5j n GLY 8 Ca 0.01 0.65 -0.02 0.00 0.00 0.00 0.00 46.02 46.66 1a5j n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5j n PRO 9 N 0.00 -0.59 -1.94 1.61 -0.04 -1.02 -4.95 135.00 128.06 1a5j n PRO 9 Ca 0.00 -0.11 -0.42 0.00 -0.04 0.00 0.00 63.50 62.94 1a5j n PRO 9 Cb 0.00 -0.08 -0.03 0.00 -0.04 0.00 0.00 33.50 33.35 1a5j n PRO 9 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1a5j s TRP 10 N -1.14 3.02 0.00 0.54 0.52 -1.26 -5.00 118.94 115.62 1a5j s TRP 10 Ca 0.04 0.78 0.00 0.00 0.02 0.00 0.00 56.10 56.94 1a5j s TRP 10 Cb -0.00 -3.91 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 1a5j s TRP 10 CO 0.03 -3.18 0.00 0.25 0.02 0.00 0.00 176.95 174.07 1a5j n THR 11 N 3.22 0.00 -0.25 2.01 -2.24 -1.26 -4.76 114.28 111.01 1a5j n THR 11 Ca 0.11 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1a5j n THR 11 Cb 0.39 -0.54 -0.08 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.22 0.00 -0.78 3.64 -1.95 1.85 116.57 119.11 1a5j h LYS 12 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1a5j h LYS 12 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1a5j h LYS 12 CO 0.00 -0.15 0.00 -1.91 -2.27 0.00 0.00 179.45 175.12 1a5j n GLU 13 N -5.35 0.00 -0.33 1.90 0.00 -1.26 0.23 120.64 115.83 1a5j n GLU 13 Ca -0.00 0.67 0.17 0.00 0.00 0.00 0.00 57.16 57.99 1a5j n GLU 13 Cb 0.32 -1.23 0.41 0.00 0.00 0.00 0.00 31.44 30.93 1a5j n GLU 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1a5j h GLU 14 N 0.00 0.58 0.00 5.31 4.39 -1.82 1.15 114.58 124.18 1a5j h GLU 14 Ca 0.00 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1a5j h GLU 14 Cb 0.00 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1a5j h GLU 14 CO 0.00 0.38 -0.16 -0.44 -1.16 0.00 0.00 179.01 177.64 1a5j h ASP 15 N 0.59 0.00 0.09 1.42 3.32 0.50 -1.01 116.42 121.33 1a5j h ASP 15 Ca 0.58 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.59 1a5j h ASP 15 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1a5j h ASP 15 CO -0.35 0.16 -0.15 0.06 -1.72 0.00 0.00 179.24 177.24 1a5j h GLN 16 N 0.00 0.13 -0.15 3.56 -0.00 1.22 -1.94 115.11 117.93 1a5j h GLN 16 Ca -0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 1a5j h GLN 16 Cb 0.29 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1a5j h GLN 16 CO 0.02 0.29 -0.01 -0.22 -0.00 0.00 0.00 178.83 178.91 1a5j h LYS 17 N 0.13 0.27 -0.44 0.06 3.64 -0.99 -2.47 116.57 116.76 1a5j h LYS 17 Ca 0.03 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1a5j h LYS 17 Cb 0.34 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1a5j h LYS 17 CO 0.02 0.51 0.19 0.28 -2.27 0.00 0.00 179.45 178.17 1a5j h VAL 18 N -0.00 0.91 -0.86 2.00 2.07 -1.37 0.61 116.25 119.60 1a5j h VAL 18 Ca 0.04 -0.13 0.17 0.00 0.82 0.00 0.00 66.70 67.61 1a5j h VAL 18 Cb 0.39 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1a5j h VAL 18 CO 0.01 0.07 0.56 0.40 0.02 0.00 0.00 177.57 178.63 1a5j h ILE 19 N 0.38 0.74 0.00 4.57 5.03 -1.23 0.99 117.51 128.00 1a5j h ILE 19 Ca 0.20 -0.16 -0.06 0.00 -0.12 0.00 0.00 64.86 64.72 1a5j h ILE 19 Cb 0.16 0.23 -0.01 0.00 -3.03 0.00 0.00 36.82 34.17 1a5j h ILE 19 CO -0.18 0.09 -0.27 -0.08 -0.68 0.00 0.00 178.15 177.02 1a5j h GLU 20 N 0.47 0.00 0.00 2.37 4.22 -0.44 -1.83 114.58 119.37 1a5j h GLU 20 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.88 1a5j h GLU 20 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1a5j h GLU 20 CO -0.17 0.27 -0.03 -0.07 -2.18 0.00 0.00 179.01 176.83 1a5j h LEU 21 N 0.00 0.00 -1.89 1.64 3.38 0.18 -2.81 115.31 115.81 1a5j h LEU 21 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1a5j h LEU 21 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1a5j h LEU 21 CO 0.04 0.39 0.46 0.58 0.09 0.00 0.00 178.44 180.00 1a5j h VAL 22 N -0.75 0.23 0.31 1.22 2.07 -0.63 0.55 116.25 119.25 1a5j h VAL 22 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1a5j h VAL 22 Cb 0.03 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1a5j h VAL 22 CO 0.00 0.00 -0.15 0.11 0.02 0.00 0.00 177.57 177.55 1a5j h LYS 23 N 0.00 -0.40 0.00 1.57 1.79 -1.40 1.58 116.57 119.70 1a5j h LYS 23 Ca 0.14 0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1a5j h LYS 23 Cb 1.06 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 1a5j h LYS 23 CO -0.00 -0.10 -0.08 -0.22 -1.08 0.00 0.00 179.45 177.97 1a5j h LYS 24 N -0.99 0.00 0.00 3.15 3.11 -0.68 -3.14 116.57 118.03 1a5j h LYS 24 Ca -0.04 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1a5j h LYS 24 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1a5j h LYS 24 CO 0.07 0.08 -0.26 1.88 -2.81 0.00 0.00 179.45 178.41 1a5j h TYR 25 N 0.00 0.00 -4.87 1.91 -1.99 0.06 -3.50 116.97 108.58 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 0.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.04 1a5j h TYR 25 CO 0.00 0.10 0.00 0.41 -0.00 0.00 0.00 178.16 178.67 1a5j n GLY 26 N 1.69 0.00 0.00 3.88 0.00 0.54 -4.85 105.19 106.45 1a5j n GLY 26 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.23 0.00 0.00 2.61 5.66 -1.26 -4.99 114.28 118.53 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 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 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 0.00 0.00 -3.46 1.09 5.02 -1.26 -5.09 118.16 114.45 1a5j n LYS 28 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1a5j n LYS 28 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 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 3.65 0.00 1.97 -0.21 -1.26 -4.76 119.66 119.05 1a5j s GLN 29 Ca 0.00 -3.03 0.25 0.00 0.02 0.00 0.00 55.36 52.61 1a5j s GLN 29 Cb 0.00 -4.27 0.52 0.00 1.00 0.00 0.00 33.01 30.26 1a5j s GLN 29 CO 0.00 -1.25 1.43 0.91 -2.12 0.00 0.00 175.29 174.26 1a5j n TRP 30 N 2.91 0.00 -0.03 0.91 7.02 -1.26 -4.07 117.44 122.92 1a5j n TRP 30 Ca 0.20 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.52 1a5j n TRP 30 Cb 0.40 -0.04 -0.09 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 2.48 1.39 -0.49 -0.99 1.03 -1.92 -2.93 112.91 111.46 1a5j h THR 31 Ca 0.00 -1.74 0.10 0.00 -0.01 0.00 0.00 66.41 64.76 1a5j h THR 31 Cb 0.67 2.20 -0.09 0.00 -1.07 0.00 0.00 68.15 69.85 1a5j h THR 31 CO 0.00 0.52 -0.13 0.17 -0.01 0.00 0.00 175.52 176.06 1a5j h LEU 32 N 0.02 -0.49 0.32 0.00 8.10 -1.93 1.90 115.31 123.23 1a5j h LEU 32 Ca -0.02 0.15 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 1a5j h LEU 32 Cb 1.04 0.32 -0.03 0.00 -0.44 0.00 0.00 40.66 41.55 1a5j h LEU 32 CO 0.08 -0.17 -0.45 0.40 -4.11 0.00 0.00 178.44 174.19 1a5j h ILE 33 N -0.01 0.00 0.00 0.15 5.03 -1.78 3.26 117.51 124.17 1a5j h ILE 33 Ca 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.98 1a5j h ILE 33 Cb 0.37 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.16 1a5j h ILE 33 CO -0.51 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 176.96 1a5j h ALA 34 N -0.90 1.00 -0.06 1.87 0.00 -1.15 1.35 119.26 121.36 1a5j h ALA 34 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 34 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1a5j h ALA 34 CO -0.12 0.00 0.00 1.17 0.00 0.00 0.00 179.25 180.30 1a5j n LYS 35 N -2.62 2.08 -0.04 0.00 4.81 0.64 -4.45 118.16 118.58 1a5j n LYS 35 Ca -0.02 -1.85 -0.09 0.00 -0.87 0.00 0.00 58.31 55.49 1a5j n LYS 35 Cb 0.08 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 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 1.25 0.00 -3.32 5.64 8.25 1.06 -4.89 115.22 123.20 1a5j n HIS 36 Ca 0.13 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 57.13 1a5j n HIS 36 Cb 0.55 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.31 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 -6.33 6.44 0.00 2.41 1.43 0.40 -5.05 118.68 117.98 1a5j s LEU 37 Ca -0.12 -2.18 -0.02 0.00 -1.03 0.00 0.00 54.13 50.78 1a5j s LEU 37 Cb 0.04 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1a5j s LEU 37 CO 0.16 -0.74 0.12 0.29 0.23 0.00 0.00 176.35 176.41 1a5j n LYS 38 N 4.70 -0.85 -1.40 1.70 4.01 -1.26 -3.98 118.16 121.07 1a5j n LYS 38 Ca -0.02 -0.19 -0.15 0.00 -0.51 0.00 0.00 58.31 57.45 1a5j n LYS 38 Cb 0.43 -0.15 -0.06 0.00 -0.51 0.00 0.00 35.03 34.73 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 2.56 1.38 3.56 0.72 0.00 -1.26 -4.49 105.19 107.65 1a5j n GLY 39 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1a5j n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5j s ARG 40 N -3.18 0.97 1.19 1.61 3.52 -1.26 -4.51 118.95 117.30 1a5j s ARG 40 Ca 0.00 0.54 -0.20 0.00 -0.13 0.00 0.00 55.73 55.94 1a5j s ARG 40 Cb 0.00 0.46 0.29 0.00 -1.56 0.00 0.00 34.95 34.14 1a5j s ARG 40 CO 0.00 -0.24 1.14 1.28 -0.81 0.00 0.00 175.30 176.67 1a5j n LEU 41 N 1.61 0.00 0.00 -0.88 7.99 -1.26 -4.17 117.00 120.30 1a5j n LEU 41 Ca -0.17 -1.22 0.00 0.00 -0.01 0.00 0.00 56.01 54.61 1a5j n LEU 41 Cb 0.56 -1.01 0.00 0.00 -0.11 0.00 0.00 43.42 42.86 1a5j n LEU 41 CO 0.16 -2.05 0.15 0.61 -1.51 0.00 0.00 177.39 174.75 1a5j n GLY 42 N -4.62 -0.50 0.00 -0.72 0.00 -1.26 -4.71 105.19 93.38 1a5j n GLY 42 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.08 0.00 -1.46 1.61 4.81 -1.26 -3.27 118.16 118.52 1a5j n LYS 43 Ca 0.00 0.49 -0.27 0.00 -0.87 0.00 0.00 58.31 57.66 1a5j n LYS 43 Cb 0.07 -1.44 -0.07 0.00 0.02 0.00 0.00 35.03 33.61 1a5j n LYS 43 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1a5j n GLN 44 N -1.96 2.83 0.00 1.64 7.27 -1.26 -4.26 117.38 121.64 1a5j n GLN 44 Ca 0.00 -2.24 0.12 0.00 0.07 0.00 0.00 57.00 54.95 1a5j n GLN 44 Cb 0.00 -2.25 0.25 0.00 2.41 0.00 0.00 30.24 30.65 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a5j n ARG 46 N -1.45 2.86 -1.54 0.00 -4.01 -1.26 -4.94 116.66 106.33 1a5j n ARG 46 Ca 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.87 1a5j n ARG 46 Cb 0.34 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.76 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 1a5j n GLU 47 N -0.13 0.00 0.00 2.89 2.13 -1.26 -4.97 120.64 119.31 1a5j n GLU 47 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a5j n GLU 47 Cb 0.00 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 29.85 1a5j n GLU 47 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1a5j n ARG 48 N -0.89 0.00 0.03 5.31 0.00 -1.26 -4.84 116.66 115.00 1a5j n ARG 48 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 1a5j n ARG 48 Cb 0.41 0.00 0.17 0.00 0.00 0.00 0.00 32.46 33.03 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 -2.20 0.27 -0.01 -0.14 4.27 -1.26 -3.56 117.44 114.80 1a5j n TRP 49 Ca 0.00 0.08 -0.22 0.00 -3.89 0.00 0.00 57.50 53.47 1a5j n TRP 49 Cb 0.00 -0.44 -0.14 0.00 -1.36 0.00 0.00 31.31 29.38 1a5j n TRP 49 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1a5j h HIS 50 N 0.00 0.41 -2.36 -2.67 2.76 -1.95 -3.39 115.15 107.94 1a5j h HIS 50 Ca 0.00 -0.30 -0.71 0.00 -2.20 0.00 0.00 60.37 57.16 1a5j h HIS 50 Cb 0.64 -0.02 -0.34 0.00 1.55 0.00 0.00 27.41 29.24 1a5j h HIS 50 CO 0.00 1.70 0.24 0.09 -1.30 0.00 0.00 177.93 178.66 1a5j n ASN 51 N -3.73 5.82 0.00 3.26 3.02 -1.25 -4.68 115.26 117.69 1a5j n ASN 51 Ca -0.31 -3.61 0.00 0.00 -0.03 0.00 0.00 54.58 50.63 1a5j n ASN 51 Cb 0.96 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.22 0.00 -1.65 3.10 8.25 -1.23 -4.57 115.22 119.34 1a5j n HIS 52 Ca 0.36 0.00 -0.66 0.00 -0.26 0.00 0.00 57.72 57.16 1a5j n HIS 52 Cb 0.33 0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.42 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 -2.27 1.20 -3.85 2.41 0.00 -1.26 -4.92 117.00 108.31 1a5j n LEU 53 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 56.01 56.93 1a5j n LEU 53 Cb 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 43.42 42.36 1a5j n LEU 53 CO 0.00 -0.80 -0.38 0.21 0.00 0.00 0.00 177.39 176.42 1a5j s ASN 54 N 3.62 0.39 0.00 1.96 2.47 -1.26 -5.15 114.94 116.97 1a5j s ASN 54 Ca 1.07 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 54.32 1a5j s ASN 54 Cb -1.47 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 38.17 1a5j s ASN 54 CO 0.78 -0.06 0.00 -0.81 -3.72 0.00 0.00 177.10 173.29 1a5j n PRO 55 N 3.78 1.45 -2.25 0.43 -0.04 -1.26 -5.12 135.00 131.99 1a5j n PRO 55 Ca -0.23 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.21 1a5j n PRO 55 Cb 0.53 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.98 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 0.40 0.00 0.54 2.13 -1.26 -5.00 120.64 117.45 1a5j n GLU 56 Ca 0.00 -0.36 0.12 0.00 0.66 0.00 0.00 57.16 57.58 1a5j n GLU 56 Cb 0.00 0.26 0.68 0.00 0.27 0.00 0.00 31.44 32.65 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 -0.08 0.11 0.00 6.31 0.31 -1.26 -4.99 118.33 118.73 1a5j n VAL 57 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1a5j n VAL 57 Cb 0.07 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 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 -1.13 0.00 0.00 5.55 0.00 -1.26 -4.81 118.16 116.51 1a5j n LYS 58 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.47 1a5j n LYS 58 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.16 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 -1.44 0.00 -1.13 1.64 5.02 -1.26 -4.75 118.16 116.24 1a5j n LYS 59 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1a5j n LYS 59 Cb 0.00 -0.41 0.06 0.00 -0.02 0.00 0.00 35.03 34.66 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 -0.20 -2.63 0.00 4.39 3.41 -1.26 -4.63 113.62 112.69 1a5j n SER 60 Ca 0.00 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1a5j n SER 60 Cb 0.00 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 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 0.66 0.00 -3.76 4.04 7.64 -1.26 -4.89 113.62 116.05 1a5j n SER 61 Ca 0.07 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.65 1a5j n SER 61 Cb 0.51 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.98 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 0.07 0.00 1.43 0.52 -1.26 -5.07 118.94 114.63 1a5j s TRP 62 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 56.10 56.79 1a5j s TRP 62 Cb 0.00 -3.07 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1a5j s TRP 62 CO 0.00 -4.49 0.00 0.25 0.02 0.00 0.00 176.95 172.73 1a5j n THR 63 N -5.28 0.00 0.00 2.01 -2.24 -1.26 -4.72 114.28 102.79 1a5j n THR 63 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1a5j n THR 63 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.37 -0.78 -0.58 -1.26 -2.42 120.64 115.23 1a5j n GLU 64 Ca 0.00 0.15 0.28 0.00 -0.42 0.00 0.00 57.16 57.17 1a5j n GLU 64 Cb 0.00 -0.78 0.55 0.00 -0.57 0.00 0.00 31.44 30.64 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 0.24 -0.47 3.49 5.08 -1.99 1.73 114.58 122.67 1a5j h GLU 65 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1a5j h GLU 65 Cb 0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1a5j h GLU 65 CO 0.00 0.16 0.24 0.93 -1.00 0.00 0.00 179.01 179.34 1a5j h GLU 66 N 0.25 0.64 0.23 2.33 5.08 -1.98 0.24 114.58 121.38 1a5j h GLU 66 Ca 0.73 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 59.01 1a5j h GLU 66 Cb 1.96 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1a5j h GLU 66 CO -0.45 0.49 -0.11 0.22 -1.00 0.00 0.00 179.01 178.15 1a5j h ASP 67 N 0.65 -0.26 0.23 1.42 1.82 0.29 -2.77 116.42 117.80 1a5j h ASP 67 Ca 0.17 -0.26 0.01 0.00 -0.39 0.00 0.00 57.03 56.55 1a5j h ASP 67 Cb 0.04 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 40.08 1a5j h ASP 67 CO -0.03 0.20 -0.36 0.03 -1.61 0.00 0.00 179.24 177.47 1a5j h ARG 68 N -0.82 -0.64 0.00 0.28 3.08 -1.05 0.26 114.38 115.50 1a5j h ARG 68 Ca -0.03 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1a5j h ARG 68 Cb 0.51 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1a5j h ARG 68 CO 0.05 -0.43 0.00 -0.89 -1.07 0.00 0.00 179.97 177.64 1a5j n ILE 69 N -5.45 0.00 -0.23 2.04 5.41 0.84 0.30 119.36 122.26 1a5j n ILE 69 Ca -0.08 1.41 -0.01 0.00 1.00 0.00 0.00 62.75 65.06 1a5j n ILE 69 Cb 0.36 -1.95 0.05 0.00 -0.71 0.00 0.00 39.64 37.39 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 0.25 0.00 1.39 2.04 -1.41 2.47 117.51 122.25 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 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1a5j h ILE 70 CO 0.00 0.00 0.20 0.15 0.00 0.00 0.00 178.15 178.50 1a5j h PHE 71 N -0.05 0.00 0.00 1.37 3.04 0.17 0.43 116.94 121.89 1a5j h PHE 71 Ca 0.30 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.96 1a5j h PHE 71 Cb 0.53 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1a5j h PHE 71 CO -0.59 0.00 -1.96 -1.91 -2.02 0.00 0.00 178.31 171.82 1a5j n GLU 72 N -2.17 0.39 -0.34 1.11 2.13 0.70 -4.48 120.64 117.97 1a5j n GLU 72 Ca -0.01 0.17 0.18 0.00 0.66 0.00 0.00 57.16 58.16 1a5j n GLU 72 Cb 0.22 -1.15 0.40 0.00 0.27 0.00 0.00 31.44 31.18 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5j h ALA 73 N -0.66 1.85 0.00 4.31 0.00 0.29 2.41 119.26 127.46 1a5j h ALA 73 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1a5j h ALA 73 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1a5j h ALA 73 CO -0.27 -0.29 0.00 1.58 0.00 0.00 0.00 179.25 180.27 1a5j n HIS 74 N -4.82 0.71 -1.19 0.00 -0.00 0.09 -0.12 115.22 109.90 1a5j n HIS 74 Ca 0.26 0.35 -0.05 0.00 -0.00 0.00 0.00 57.72 58.28 1a5j n HIS 74 Cb 0.74 -1.06 0.24 0.00 -0.00 0.00 0.00 29.99 29.91 1a5j n HIS 74 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1a5j n LYS 75 N -2.22 2.75 0.00 1.57 2.85 0.81 -3.84 118.16 120.08 1a5j n LYS 75 Ca -0.01 -3.06 0.00 0.00 -1.05 0.00 0.00 58.31 54.20 1a5j n LYS 75 Cb 0.08 -2.01 0.00 0.00 -0.65 0.00 0.00 35.03 32.45 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 -0.69 0.00 0.00 0.58 0.31 0.84 -5.00 118.33 114.37 1a5j n VAL 76 Ca 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.70 1a5j n VAL 76 Cb 1.22 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.88 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 -1.97 0.02 0.00 7.52 4.77 -0.22 -5.12 117.00 122.00 1a5j n LEU 77 Ca 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1a5j n LEU 77 Cb 0.07 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1a5j n LEU 77 CO 0.00 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 1a5j n GLY 78 N 1.92 2.28 1.64 -0.72 0.00 -1.25 -4.82 105.19 104.23 1a5j n GLY 78 Ca 0.00 -0.50 -0.04 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 -1.30 -2.10 1.61 0.23 -1.26 -4.70 115.26 107.73 1a5j n ASN 79 Ca 0.00 0.18 -0.12 0.00 -0.53 0.00 0.00 54.58 54.11 1a5j n ASN 79 Cb 0.00 -1.45 -0.15 0.00 -2.08 0.00 0.00 39.78 36.10 1a5j n ASN 79 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1a5j n ARG 80 N -1.64 1.94 -0.34 -3.83 0.63 -1.26 -4.52 116.66 107.64 1a5j n ARG 80 Ca -0.04 -0.99 0.22 0.00 -0.92 0.00 0.00 57.85 56.11 1a5j n ARG 80 Cb 0.25 -2.01 0.47 0.00 0.45 0.00 0.00 32.46 31.62 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1a5j h TRP 81 N 3.33 0.79 -0.19 -0.14 4.06 -1.90 2.31 115.95 124.20 1a5j h TRP 81 Ca 0.21 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.24 1a5j h TRP 81 Cb 1.35 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1a5j h TRP 81 CO 1.74 0.04 0.40 0.00 -3.56 0.00 0.00 178.44 177.06 1a5j h ALA 82 N 1.67 1.71 0.00 1.49 0.00 -1.89 -0.77 119.26 121.46 1a5j h ALA 82 Ca 0.63 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.28 1a5j h ALA 82 Cb 1.46 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 1a5j h ALA 82 CO -0.37 -0.49 -1.96 -0.85 0.00 0.00 0.00 179.25 175.57 1a5j n GLU 83 N -3.26 0.49 -0.22 0.00 -0.00 0.73 -4.16 120.64 114.22 1a5j n GLU 83 Ca 0.02 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.28 1a5j n GLU 83 Cb 0.50 -1.34 0.08 0.00 -0.00 0.00 0.00 31.44 30.68 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 0.36 -0.78 3.84 1.08 0.10 0.47 117.51 122.59 1a5j h ILE 84 Ca -0.38 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.05 1a5j h ILE 84 Cb 1.60 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.66 1a5j h ILE 84 CO -0.05 0.00 0.33 0.00 -0.69 0.00 0.00 178.15 177.74 1a5j h ALA 85 N 1.65 1.01 0.00 1.87 0.00 -1.43 -3.22 119.26 119.14 1a5j h ALA 85 Ca 0.32 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.72 1a5j h ALA 85 Cb 0.50 -0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.00 1a5j h ALA 85 CO -0.66 0.62 2.35 1.63 0.00 0.00 0.00 179.25 183.19 1a5j n LYS 86 N -4.32 1.73 0.00 0.00 5.02 0.17 -2.27 118.16 118.49 1a5j n LYS 86 Ca 0.07 -1.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 1a5j n LYS 86 Cb 0.17 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.78 1a5j n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a5j n LEU 87 N 4.46 0.00 -4.95 -0.35 4.77 -1.21 -4.94 117.00 114.77 1a5j n LEU 87 Ca 0.38 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.13 1a5j n LEU 87 Cb 0.12 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1a5j n LEU 87 CO 0.69 -0.09 0.24 -0.76 -1.33 0.00 0.00 177.39 176.13 1a5j s LEU 88 N -3.37 3.78 0.00 2.23 1.43 -0.96 -4.97 118.68 116.82 1a5j s LEU 88 Ca 0.00 0.30 0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1a5j s LEU 88 Cb 0.00 -3.18 1.33 0.00 0.03 0.00 0.00 46.19 44.37 1a5j s LEU 88 CO 0.00 -0.56 1.72 -0.81 0.23 0.00 0.00 176.35 176.93 1a5j n PRO 89 N -1.96 0.75 0.00 1.29 -0.04 -1.26 -4.81 135.00 128.96 1a5j n PRO 89 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1a5j n PRO 89 Cb 0.57 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 0.48 4.71 1.21 0.55 0.00 -1.26 -5.14 105.19 105.73 1a5j n GLY 90 Ca 0.17 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.37 -4.16 1.61 5.12 -1.26 -4.87 116.66 110.72 1a5j n ARG 91 Ca 0.00 1.83 -0.16 0.00 -1.93 0.00 0.00 57.85 57.60 1a5j n ARG 91 Cb 0.00 -2.95 -0.06 0.00 -1.16 0.00 0.00 32.46 28.29 1a5j n ARG 91 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a5j s THR 92 N -3.65 0.00 0.06 0.55 -4.23 -1.26 -4.90 115.64 102.20 1a5j s THR 92 Ca 0.00 -1.78 -0.33 0.00 -1.18 0.00 0.00 61.69 58.40 1a5j s THR 92 Cb 0.00 -2.54 -0.18 0.00 1.34 0.00 0.00 72.50 71.12 1a5j s THR 92 CO 0.00 0.00 1.50 -2.24 -0.54 0.00 0.00 174.62 173.34 1a5j h ASP 93 N 2.20 -1.06 -1.08 3.99 2.03 -1.92 0.14 116.42 120.73 1a5j h ASP 93 Ca -0.28 0.05 0.30 0.00 -0.73 0.00 0.00 57.03 56.37 1a5j h ASP 93 Cb 1.24 0.29 -0.06 0.00 -0.83 0.00 0.00 39.33 39.97 1a5j h ASP 93 CO 0.40 -0.71 0.75 -0.55 -1.03 0.00 0.00 179.24 178.10 1a5j h ASN 94 N -1.16 0.15 0.37 4.15 7.08 -1.98 0.75 115.58 124.94 1a5j h ASN 94 Ca -0.11 0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 53.12 1a5j h ASN 94 Cb 0.90 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.15 1a5j h ASN 94 CO 0.16 0.03 -0.18 0.00 -2.08 0.00 0.00 177.43 175.36 1a5j h ALA 95 N 1.51 -0.78 0.44 4.14 0.00 -1.73 -1.84 119.26 121.00 1a5j h ALA 95 Ca 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1a5j h ALA 95 Cb 1.90 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.86 1a5j h ALA 95 CO -0.10 -0.74 -0.46 0.28 0.00 0.00 0.00 179.25 178.23 1a5j h VAL 96 N -0.70 0.00 -0.73 0.00 2.07 0.66 1.32 116.25 118.88 1a5j h VAL 96 Ca -0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.53 1a5j h VAL 96 Cb 0.38 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.06 1a5j h VAL 96 CO 0.08 0.00 -0.43 1.17 0.02 0.00 0.00 177.57 178.41 1a5j n LYS 97 N -5.21 -0.32 0.28 1.57 4.81 0.25 0.12 118.16 119.66 1a5j n LYS 97 Ca -0.11 1.22 -0.16 0.00 -0.87 0.00 0.00 58.31 58.38 1a5j n LYS 97 Cb 0.42 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.59 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 -0.57 -1.29 3.14 -0.73 -1.03 -1.27 115.58 113.83 1a5j h ASN 98 Ca 0.12 0.01 0.37 0.00 1.87 0.00 0.00 56.30 58.67 1a5j h ASN 98 Cb 0.30 0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.98 1a5j h ASN 98 CO -0.68 -0.40 1.08 -0.74 -0.37 0.00 0.00 177.43 176.31 1a5j h HIS 99 N -0.68 0.00 0.26 0.67 2.76 0.51 1.25 115.15 119.92 1a5j h HIS 99 Ca -0.07 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1a5j h HIS 99 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1a5j h HIS 99 CO -0.04 0.00 -0.13 2.35 -1.30 0.00 0.00 177.93 178.82 1a5j h TRP 100 N 0.00 -0.32 0.00 5.26 -0.00 0.21 -2.04 115.95 119.06 1a5j h TRP 100 Ca 0.61 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.49 1a5j h TRP 100 Cb 2.76 0.11 0.00 0.00 -0.00 0.00 0.00 29.16 32.02 1a5j h TRP 100 CO 0.00 -0.20 0.00 0.09 -0.00 0.00 0.00 178.44 178.33 1a5j n ASN 101 N -2.99 0.00 0.00 2.65 3.02 0.64 -0.90 115.26 117.68 1a5j n ASN 101 Ca -0.04 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 1a5j n ASN 101 Cb 0.14 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.19 0.00 -0.00 6.41 7.64 0.40 -4.58 113.62 122.30 1a5j n SER 102 Ca 0.11 0.18 0.03 0.00 1.01 0.00 0.00 58.87 60.20 1a5j n SER 102 Cb 0.12 0.00 -0.04 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 -0.49 0.00 0.08 0.44 -1.04 -0.81 -4.51 114.28 107.94 1a5j n THR 103 Ca 0.00 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.05 61.65 1a5j n THR 103 Cb 0.00 0.73 0.08 0.00 -1.82 0.00 0.00 70.33 69.33 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 -1.38 1.87 -3.31 12.58 2.08 -0.08 -4.62 119.36 126.50 1a5j n ILE 104 Ca 0.00 -0.79 -0.07 0.00 0.56 0.00 0.00 62.75 62.45 1a5j n ILE 104 Cb 0.13 -0.75 -0.07 0.00 -0.75 0.00 0.00 39.64 38.20 1a5j n ILE 104 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1a5j s LYS 105 N -1.41 0.39 -0.02 0.38 -0.14 -0.80 -4.63 119.74 113.52 1a5j s LYS 105 Ca 0.24 0.54 -0.05 0.00 -1.36 0.00 0.00 55.97 55.33 1a5j s LYS 105 Cb 0.20 -0.30 -0.03 0.00 -1.68 0.00 0.00 37.83 36.02 1a5j s LYS 105 CO 0.05 -0.71 0.39 0.00 -0.76 0.00 0.00 175.35 174.32 1a5j h ARG 106 N 8.15 -0.19 -4.83 1.68 -0.00 -1.92 -3.37 114.38 113.91 1a5j h ARG 106 Ca -0.18 0.01 -0.54 0.00 -0.50 0.00 0.00 59.98 58.78 1a5j h ARG 106 Cb 1.15 0.04 0.06 0.00 0.00 0.00 0.00 29.97 31.23 1a5j h ARG 106 CO 0.27 -0.13 1.66 1.17 0.00 0.00 0.00 179.97 182.94 1a5j n LYS 107 N -3.40 0.94 0.07 0.04 0.00 -1.26 -2.95 118.16 111.60 1a5j n LYS 107 Ca -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 58.31 56.62 1a5j n LYS 107 Cb 0.08 -2.99 0.00 0.00 0.00 0.00 0.00 35.03 32.12 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 6.82 0.00 -2.96 3.15 0.31 -1.26 -5.04 118.33 119.35 1a5j n VAL 108 Ca 0.47 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.68 1a5j n VAL 108 Cb 0.42 -0.13 -0.02 0.00 -0.91 0.00 0.00 33.84 33.20 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 -2.82 -2.34 0.00 4.52 -0.08 -1.15 -5.21 116.55 109.46 1a5j n ASP 109 Ca 0.00 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.47 1a5j n ASP 109 Cb 0.00 0.98 0.00 0.00 2.34 0.00 0.00 41.12 44.44 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39