#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 3.71 0.00 -0.61 -4.36 -1.26 -5.03 121.20 113.65 1a5j s ILE 2 Ca 0.00 1.41 0.00 0.00 -0.26 0.00 0.00 60.65 61.80 1a5j s ILE 2 Cb 0.00 -3.90 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1a5j s ILE 2 CO 0.00 0.21 0.00 -0.81 0.24 0.00 0.00 174.94 174.58 1a5j n PRO 3 N 2.69 1.13 -0.58 0.37 -0.04 -1.26 -4.98 135.00 132.34 1a5j n PRO 3 Ca 0.05 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 1a5j n PRO 3 Cb 0.45 0.00 0.26 0.00 -0.04 0.00 0.00 33.50 34.18 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 0.14 0.00 3.54 2.15 -1.26 -3.93 116.67 116.07 1a5j s ASP 4 Ca 0.00 1.09 0.00 0.00 0.43 0.00 0.00 52.55 54.07 1a5j s ASP 4 Cb 0.00 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.99 1a5j s ASP 4 CO 0.00 -4.66 0.00 0.18 -0.17 0.00 0.00 175.17 170.52 1a5j n LEU 5 N -5.18 0.00 0.00 -1.34 4.77 -1.26 -5.01 117.00 108.98 1a5j n LEU 5 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1a5j n LEU 5 Cb 0.58 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1a5j n LEU 5 CO 0.50 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 177.08 1a5j n VAL 6 N -2.14 0.00 -2.45 4.08 0.31 -1.25 -3.98 118.33 112.90 1a5j n VAL 6 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 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 -2.74 0.00 5.55 4.01 -1.26 -3.57 118.16 120.15 1a5j n LYS 7 Ca 0.00 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.81 1a5j n LYS 7 Cb 0.00 -4.17 0.00 0.00 -0.51 0.00 0.00 35.03 30.35 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 -0.49 0.89 3.68 0.72 0.00 -1.26 -5.09 105.19 103.64 1a5j n GLY 8 Ca 0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.13 4.31 0.28 1.61 0.04 -1.23 -5.00 135.00 134.88 1a5j s PRO 9 Ca 0.00 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 1a5j s PRO 9 Cb 0.00 -3.62 -0.10 0.00 0.04 0.00 0.00 34.50 30.83 1a5j s PRO 9 CO 0.00 -0.53 1.11 -1.58 0.04 0.00 0.00 177.00 176.04 1a5j s TRP 10 N 2.58 3.55 0.00 0.56 0.52 -1.26 -5.03 118.94 119.86 1a5j s TRP 10 Ca 0.56 1.68 0.00 0.00 0.02 0.00 0.00 56.10 58.36 1a5j s TRP 10 Cb -0.24 -3.31 0.00 0.00 -1.15 0.00 0.00 33.47 28.77 1a5j s TRP 10 CO 0.20 -0.63 0.00 0.25 0.02 0.00 0.00 176.95 176.80 1a5j n THR 11 N 1.21 0.00 -0.32 2.01 -2.24 -1.26 -4.95 114.28 108.74 1a5j n THR 11 Ca -0.01 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1a5j n THR 11 Cb 0.45 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.60 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 -0.13 -0.76 -0.78 3.64 -1.98 0.23 116.57 116.79 1a5j h LYS 12 Ca 0.00 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 1a5j h LYS 12 Cb 0.00 0.03 -0.13 0.00 -0.41 0.00 0.00 32.23 31.72 1a5j h LYS 12 CO 0.00 -0.09 -0.41 1.49 -2.27 0.00 0.00 179.45 178.17 1a5j h GLU 13 N -0.13 -0.11 -0.76 1.90 4.22 -1.98 0.75 114.58 118.46 1a5j h GLU 13 Ca 0.16 0.01 0.12 0.00 0.08 0.00 0.00 59.36 59.73 1a5j h GLU 13 Cb 0.50 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1a5j h GLU 13 CO -0.82 -0.08 0.36 0.93 -2.18 0.00 0.00 179.01 177.22 1a5j h GLU 14 N -0.12 0.54 -0.52 1.92 3.07 -1.03 0.07 114.58 118.52 1a5j h GLU 14 Ca 0.25 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.05 1a5j h GLU 14 Cb 0.56 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1a5j h GLU 14 CO -0.81 0.36 0.22 -0.44 -1.40 0.00 0.00 179.01 176.95 1a5j h ASP 15 N 0.56 0.70 -0.35 1.42 5.19 0.25 -1.35 116.42 122.85 1a5j h ASP 15 Ca 0.40 -0.15 0.10 0.00 -0.62 0.00 0.00 57.03 56.76 1a5j h ASP 15 Cb 0.52 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1a5j h ASP 15 CO -0.34 0.66 0.46 0.06 -3.12 0.00 0.00 179.24 176.97 1a5j h GLN 16 N 0.69 0.00 0.06 3.56 -0.00 0.22 0.12 115.11 119.77 1a5j h GLN 16 Ca 0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1a5j h GLN 16 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1a5j h GLN 16 CO -0.02 0.00 -0.03 -0.22 -0.00 0.00 0.00 178.83 178.56 1a5j h LYS 17 N 0.00 -0.08 -1.11 0.06 3.64 -0.75 -2.74 116.57 115.58 1a5j h LYS 17 Ca 0.17 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.86 1a5j h LYS 17 Cb 1.09 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.83 1a5j h LYS 17 CO -0.00 0.43 0.73 0.28 -2.27 0.00 0.00 179.45 178.62 1a5j h VAL 18 N -0.66 0.43 -0.18 2.00 2.07 -0.71 0.80 116.25 120.00 1a5j h VAL 18 Ca -0.01 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1a5j h VAL 18 Cb 0.55 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1a5j h VAL 18 CO 0.01 0.05 0.00 0.40 0.02 0.00 0.00 177.57 178.06 1a5j h ILE 19 N 0.28 1.25 -0.59 4.57 5.03 -1.37 0.27 117.51 126.96 1a5j h ILE 19 Ca 0.63 -0.84 -0.06 0.00 -0.12 0.00 0.00 64.86 64.47 1a5j h ILE 19 Cb 1.81 1.45 -0.03 0.00 -3.03 0.00 0.00 36.82 37.02 1a5j h ILE 19 CO -0.28 0.25 0.12 -0.08 -0.68 0.00 0.00 178.15 177.48 1a5j h GLU 20 N 0.08 0.93 -0.21 2.37 4.81 0.63 -0.27 114.58 122.91 1a5j h GLU 20 Ca 0.05 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 1a5j h GLU 20 Cb 0.38 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1a5j h GLU 20 CO 0.01 0.84 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.03 1a5j h LEU 21 N 0.88 0.39 -1.01 1.64 3.38 0.15 -1.90 115.31 118.85 1a5j h LEU 21 Ca 0.19 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1a5j h LEU 21 Cb 0.35 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1a5j h LEU 21 CO 0.00 0.65 0.00 0.58 0.09 0.00 0.00 178.44 179.76 1a5j h VAL 22 N 0.13 0.00 0.04 1.22 2.07 -0.17 0.36 116.25 119.90 1a5j h VAL 22 Ca 0.06 -0.16 -0.17 0.00 0.82 0.00 0.00 66.70 67.24 1a5j h VAL 22 Cb 0.47 0.83 0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1a5j h VAL 22 CO 0.02 0.00 -0.71 0.11 0.02 0.00 0.00 177.57 177.01 1a5j h LYS 23 N 0.00 0.40 0.00 1.57 1.57 -0.27 0.72 116.57 120.56 1a5j h LYS 23 Ca 0.00 -0.49 -0.11 0.00 -1.87 0.00 0.00 60.65 58.18 1a5j h LYS 23 Cb 0.25 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1a5j h LYS 23 CO 0.00 1.16 -0.64 -0.22 -0.57 0.00 0.00 179.45 179.18 1a5j h LYS 24 N -0.14 0.00 0.00 3.15 3.64 -0.86 -3.36 116.57 119.00 1a5j h LYS 24 Ca -0.10 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1a5j h LYS 24 Cb 1.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 1a5j h LYS 24 CO 0.14 0.42 -0.41 1.88 -2.27 0.00 0.00 179.45 179.21 1a5j h TYR 25 N 0.00 0.00 0.00 1.91 -1.99 -0.35 -3.51 116.97 113.03 1a5j h TYR 25 Ca -0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1a5j h TYR 25 Cb 1.38 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.11 1a5j h TYR 25 CO 0.00 0.42 0.00 0.41 -0.00 0.00 0.00 178.16 178.99 1a5j n GLY 26 N 1.63 1.05 2.65 3.88 0.00 0.25 -4.87 105.19 109.79 1a5j n GLY 26 Ca -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 2.61 -2.24 -1.26 -4.53 114.28 108.86 1a5j n THR 27 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1a5j n THR 27 Cb 0.00 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 0.07 0.00 0.05 -0.78 3.00 -1.26 -4.92 118.16 114.33 1a5j n LYS 28 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.11 1a5j n LYS 28 Cb 0.70 -0.67 -0.01 0.00 0.00 0.00 0.00 35.03 35.06 1a5j n LYS 28 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1a5j h GLN 29 N 0.00 -0.16 0.00 1.64 7.50 -1.95 -3.46 115.11 118.68 1a5j h GLN 29 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1a5j h GLN 29 Cb 0.37 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.93 1a5j h GLN 29 CO 0.00 -0.11 0.00 0.91 -1.50 0.00 0.00 178.83 178.13 1a5j n TRP 30 N -3.15 0.00 0.12 2.96 7.02 -1.26 -4.80 117.44 118.33 1a5j n TRP 30 Ca -0.02 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.24 1a5j n TRP 30 Cb 0.07 -0.98 -0.14 0.00 -2.42 0.00 0.00 31.31 27.84 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 1.34 -0.21 -0.99 1.03 -2.00 -3.30 112.91 108.78 1a5j h THR 31 Ca 0.00 -2.72 0.05 0.00 -0.01 0.00 0.00 66.41 63.73 1a5j h THR 31 Cb 0.26 2.91 -0.05 0.00 -1.07 0.00 0.00 68.15 70.20 1a5j h THR 31 CO 0.00 0.81 -0.11 0.17 -0.01 0.00 0.00 175.52 176.38 1a5j h LEU 32 N 0.17 -0.37 0.00 0.00 8.10 -1.96 0.83 115.31 122.08 1a5j h LEU 32 Ca -0.20 0.09 0.00 0.00 0.11 0.00 0.00 57.88 57.87 1a5j h LEU 32 Cb 2.04 0.20 0.00 0.00 -0.44 0.00 0.00 40.66 42.46 1a5j h LEU 32 CO 0.25 -0.15 0.00 -0.38 -4.11 0.00 0.00 178.44 174.05 1a5j n ILE 33 N -5.27 0.00 -0.29 0.15 -0.00 -1.25 0.31 119.36 113.02 1a5j n ILE 33 Ca -0.02 1.04 0.11 0.00 -0.00 0.00 0.00 62.75 63.88 1a5j n ILE 33 Cb 0.19 -1.70 0.25 0.00 -0.00 0.00 0.00 39.64 38.38 1a5j n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a5j h ALA 34 N -1.95 1.14 -0.71 -1.39 0.00 -1.62 1.99 119.26 116.72 1a5j h ALA 34 Ca 0.00 0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.22 1a5j h ALA 34 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1a5j h ALA 34 CO 0.00 -0.45 0.47 -0.22 0.00 0.00 0.00 179.25 179.06 1a5j h LYS 35 N 0.19 0.62 0.00 0.00 3.64 0.16 0.29 116.57 121.47 1a5j h LYS 35 Ca 0.51 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1a5j h LYS 35 Cb 0.99 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1a5j h LYS 35 CO -0.65 0.41 -0.07 0.45 -2.27 0.00 0.00 179.45 177.32 1a5j h HIS 36 N 0.64 0.00 -0.72 1.91 3.86 1.72 -3.38 115.15 119.18 1a5j h HIS 36 Ca 0.32 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.82 1a5j h HIS 36 Cb 0.42 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.82 1a5j h HIS 36 CO -0.00 0.00 2.95 1.28 0.86 0.00 0.00 177.93 183.01 1a5j n LEU 37 N -3.02 8.22 0.00 2.43 4.77 0.51 -4.94 117.00 124.97 1a5j n LEU 37 Ca -0.01 -4.67 0.00 0.00 -0.03 0.00 0.00 56.01 51.30 1a5j n LEU 37 Cb 0.04 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.68 1a5j n LEU 37 CO 0.02 2.01 0.00 2.29 -1.33 0.00 0.00 177.39 180.38 1a5j n LYS 38 N 2.61 -1.05 0.00 3.23 -0.00 0.09 -4.40 118.16 118.64 1a5j n LYS 38 Ca 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 1a5j n LYS 38 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.28 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a5j n GLY 39 N 1.63 3.12 1.11 2.58 0.00 -1.26 -4.61 105.19 107.75 1a5j n GLY 39 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 46.02 44.98 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 0.11 -1.09 1.61 5.12 -1.26 -5.10 116.66 116.04 1a5j n ARG 40 Ca 0.00 -0.18 -0.06 0.00 -1.93 0.00 0.00 57.85 55.68 1a5j n ARG 40 Cb 0.00 0.30 0.03 0.00 -1.16 0.00 0.00 32.46 31.63 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1a5j n LEU 41 N -0.12 0.00 -0.63 0.55 7.99 -1.26 -4.81 117.00 118.72 1a5j n LEU 41 Ca -0.04 -0.53 0.00 0.00 -0.01 0.00 0.00 56.01 55.43 1a5j n LEU 41 Cb 0.44 -0.17 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 1a5j n LEU 41 CO -0.02 -0.63 0.00 0.61 -1.51 0.00 0.00 177.39 175.84 1a5j n GLY 42 N 3.06 0.62 0.40 -0.72 0.00 -1.26 -4.90 105.19 102.39 1a5j n GLY 42 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.63 0.00 -2.74 1.61 3.00 -1.26 -5.02 118.16 113.12 1a5j n LYS 43 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 1a5j n LYS 43 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.41 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 -1.49 3.71 -4.39 1.64 6.02 -1.26 -4.95 117.38 116.66 1a5j n GLN 44 Ca 0.00 -3.91 -0.20 0.00 -0.01 0.00 0.00 57.00 52.88 1a5j n GLN 44 Cb 0.00 -2.84 -0.10 0.00 1.02 0.00 0.00 30.24 28.32 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5j n ARG 46 N -0.51 -0.58 0.00 0.00 1.85 -1.26 -4.79 116.66 111.37 1a5j n ARG 46 Ca -0.06 0.80 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 1a5j n ARG 46 Cb 0.63 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.98 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1a5j n GLU 47 N 0.86 0.00 0.10 2.89 2.13 -1.26 -4.89 120.64 120.47 1a5j n GLU 47 Ca -0.02 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.90 1a5j n GLU 47 Cb 0.48 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.18 1a5j n GLU 47 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1a5j h ARG 48 N 0.00 0.00 0.07 5.31 2.43 -1.86 -3.31 114.38 117.01 1a5j h ARG 48 Ca 0.00 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.83 1a5j h ARG 48 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1a5j h ARG 48 CO 0.00 0.05 -1.91 0.91 -1.51 0.00 0.00 179.97 177.51 1a5j n TRP 49 N -2.74 0.96 0.00 2.20 7.02 -1.26 -4.45 117.44 119.17 1a5j n TRP 49 Ca -0.01 0.26 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 1a5j n TRP 49 Cb 0.60 -1.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.37 1a5j n TRP 49 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 1a5j n HIS 50 N -3.75 0.00 -1.77 -5.99 8.25 -1.26 -4.16 115.22 106.54 1a5j n HIS 50 Ca -0.35 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 56.91 1a5j n HIS 50 Cb 0.94 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.95 1a5j n HIS 50 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1a5j s ASN 51 N -1.88 3.97 0.07 0.41 0.01 -1.25 -3.24 114.94 113.03 1a5j s ASN 51 Ca 0.00 -1.21 0.00 0.00 -0.71 0.00 0.00 52.86 50.94 1a5j s ASN 51 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 1a5j s ASN 51 CO 0.00 -4.20 0.00 1.57 -1.51 0.00 0.00 177.10 172.96 1a5j n HIS 52 N 17.91 -2.42 0.00 2.20 -0.00 -1.26 -4.76 115.22 126.89 1a5j n HIS 52 Ca 0.43 0.23 0.00 0.00 0.46 0.00 0.00 57.72 58.84 1a5j n HIS 52 Cb 0.47 0.98 0.00 0.00 -0.12 0.00 0.00 29.99 31.32 1a5j n HIS 52 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1a5j n LEU 53 N -2.66 0.00 -3.89 0.27 4.77 -1.20 -4.83 117.00 109.46 1a5j n LEU 53 Ca 0.00 0.46 -0.33 0.00 -0.03 0.00 0.00 56.01 56.11 1a5j n LEU 53 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1a5j n LEU 53 CO 0.00 0.00 -0.20 -3.20 -1.33 0.00 0.00 177.39 172.66 1a5j n ASN 54 N -0.79 -4.63 -3.25 -1.43 5.15 -1.26 -4.95 115.26 104.11 1a5j n ASN 54 Ca 0.00 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 1a5j n ASN 54 Cb 0.00 -1.77 0.00 0.00 -0.53 0.00 0.00 39.78 37.48 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1a5j n PRO 55 N -3.63 1.49 -1.41 1.20 -0.04 -1.26 -5.12 135.00 126.23 1a5j n PRO 55 Ca -0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1a5j n PRO 55 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 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 0.00 -0.58 0.54 2.13 -1.26 -5.02 120.64 116.45 1a5j n GLU 56 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1a5j n GLU 56 Cb 0.00 0.00 0.26 0.00 0.27 0.00 0.00 31.44 31.97 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 0.00 1.79 -1.41 6.31 0.31 -1.26 -4.90 118.33 119.17 1a5j n VAL 57 Ca 0.00 -0.90 0.00 0.00 -0.01 0.00 0.00 64.34 63.43 1a5j n VAL 57 Cb 0.00 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 1a5j n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5j n LYS 58 N 0.40 0.00 0.00 5.55 4.01 -1.26 -4.56 118.16 122.30 1a5j n LYS 58 Ca 0.18 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.45 1a5j n LYS 58 Cb 0.87 -1.08 0.00 0.00 -0.51 0.00 0.00 35.03 34.30 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a5j n LYS 59 N -0.14 0.00 -1.44 1.97 4.76 -1.26 -4.20 118.16 117.85 1a5j n LYS 59 Ca 0.00 0.00 -0.58 0.00 -2.87 0.00 0.00 58.31 54.86 1a5j n LYS 59 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 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 -3.93 1.46 0.00 4.39 3.41 -1.26 -4.71 113.62 112.98 1a5j n SER 60 Ca 0.00 0.72 0.00 0.00 -0.26 0.00 0.00 58.87 59.33 1a5j n SER 60 Cb 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1a5j n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5j n SER 61 N 7.46 0.00 -3.67 4.04 3.41 -1.26 -5.10 113.62 118.49 1a5j n SER 61 Ca 0.44 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.75 1a5j n SER 61 Cb 0.06 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.29 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a5j s TRP 62 N -1.41 -0.14 0.00 7.33 0.52 -1.26 -5.00 118.94 118.97 1a5j s TRP 62 Ca 0.00 0.66 0.00 0.00 0.02 0.00 0.00 56.10 56.78 1a5j s TRP 62 Cb 0.00 -3.00 0.00 0.00 -1.15 0.00 0.00 33.47 29.32 1a5j s TRP 62 CO 0.00 -4.66 0.00 0.25 0.02 0.00 0.00 176.95 172.56 1a5j n THR 63 N -5.41 0.00 0.00 2.01 -2.24 -1.26 -4.37 114.28 103.02 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 -0.39 -0.78 -0.58 -1.26 -1.89 120.64 115.75 1a5j n GLU 64 Ca 0.00 0.07 0.32 0.00 -0.42 0.00 0.00 57.16 57.13 1a5j n GLU 64 Cb 0.00 -0.71 0.62 0.00 -0.57 0.00 0.00 31.44 30.78 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 0.18 -0.57 3.49 5.08 -1.99 1.28 114.58 122.05 1a5j h GLU 65 Ca 0.00 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 1a5j h GLU 65 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1a5j h GLU 65 CO 0.00 0.12 0.03 0.93 -1.00 0.00 0.00 179.01 179.09 1a5j h GLU 66 N 0.19 0.96 0.26 2.33 5.08 -1.98 0.13 114.58 121.54 1a5j h GLU 66 Ca 0.69 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1a5j h GLU 66 Cb 2.15 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1a5j h GLU 66 CO -0.26 0.93 -0.12 0.22 -1.00 0.00 0.00 179.01 178.77 1a5j h ASP 67 N 0.89 -0.29 0.80 1.42 3.58 0.23 -1.86 116.42 121.19 1a5j h ASP 67 Ca 0.17 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 1a5j h ASP 67 Cb 0.48 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1a5j h ASP 67 CO 0.02 -0.19 -0.42 0.03 -2.88 0.00 0.00 179.24 175.80 1a5j h ARG 68 N -0.37 -1.09 -0.83 0.28 2.47 -1.27 -1.47 114.38 112.11 1a5j h ARG 68 Ca -0.04 0.07 0.16 0.00 -1.26 0.00 0.00 59.98 58.92 1a5j h ARG 68 Cb 0.28 0.25 -0.15 0.00 -1.65 0.00 0.00 29.97 28.70 1a5j h ARG 68 CO 0.06 -0.72 -0.22 -0.89 0.56 0.00 0.00 179.97 178.76 1a5j n ILE 69 N -5.15 -0.35 0.10 2.04 5.41 0.02 0.16 119.36 121.58 1a5j n ILE 69 Ca -0.14 1.89 -0.05 0.00 1.00 0.00 0.00 62.75 65.46 1a5j n ILE 69 Cb 0.45 -2.61 -0.03 0.00 -0.71 0.00 0.00 39.64 36.75 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 -1.04 0.41 117.51 119.34 1a5j h ILE 70 Ca 0.39 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.86 1a5j h ILE 70 Cb 0.59 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1a5j h ILE 70 CO -0.85 0.00 0.43 0.15 -0.69 0.00 0.00 178.15 177.19 1a5j h PHE 71 N -0.29 0.00 0.00 1.37 3.04 0.47 0.18 116.94 121.70 1a5j h PHE 71 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1a5j h PHE 71 Cb 0.24 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.75 1a5j h PHE 71 CO 0.01 0.00 -0.01 1.49 -2.02 0.00 0.00 178.31 177.78 1a5j h GLU 72 N 0.00 0.00 -0.97 1.11 4.81 0.26 -3.28 114.58 116.52 1a5j h GLU 72 Ca 0.00 0.00 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 1a5j h GLU 72 Cb 0.85 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.15 1a5j h GLU 72 CO 0.00 0.00 0.63 0.00 -0.73 0.00 0.00 179.01 178.91 1a5j h ALA 73 N -1.25 2.11 0.00 2.92 0.00 0.80 1.79 119.26 125.62 1a5j h ALA 73 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a5j h ALA 73 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1a5j h ALA 73 CO 0.00 -0.44 0.00 1.58 0.00 0.00 0.00 179.25 180.39 1a5j n HIS 74 N -4.59 0.67 -0.61 0.00 -0.00 -0.05 0.50 115.22 111.14 1a5j n HIS 74 Ca 0.22 0.33 0.09 0.00 -0.00 0.00 0.00 57.72 58.36 1a5j n HIS 74 Cb 0.73 -1.03 0.30 0.00 -0.00 0.00 0.00 29.99 29.99 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 -2.17 3.43 0.00 1.57 2.85 0.61 -3.69 118.16 120.75 1a5j n LYS 75 Ca -0.01 -2.72 0.00 0.00 -1.05 0.00 0.00 58.31 54.53 1a5j n LYS 75 Cb 0.07 -1.76 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 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 0.18 -4.98 118.33 115.11 1a5j n VAL 76 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1a5j n VAL 76 Cb 0.80 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 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 -2.44 0.00 0.00 7.52 4.32 -0.36 -5.12 117.00 120.91 1a5j n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1a5j n LEU 77 Cb 0.46 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 1a5j n LEU 77 CO 0.00 -0.32 0.00 0.61 -1.22 0.00 0.00 177.39 176.46 1a5j n GLY 78 N 3.30 -0.32 1.35 -0.72 0.00 -1.24 -4.87 105.19 102.68 1a5j n GLY 78 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a5j n GLY 78 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a5j n ASN 79 N 0.00 3.57 -2.88 1.61 6.94 -1.26 -4.48 115.26 118.75 1a5j n ASN 79 Ca 0.00 -2.59 -0.18 0.00 -0.02 0.00 0.00 54.58 51.79 1a5j n ASN 79 Cb 0.00 -0.62 -0.04 0.00 -2.36 0.00 0.00 39.78 36.76 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 0.19 1.87 -0.27 -3.83 3.00 -1.26 -4.50 116.66 111.85 1a5j n ARG 80 Ca 0.19 -1.22 0.16 0.00 -0.01 0.00 0.00 57.85 56.97 1a5j n ARG 80 Cb 0.85 -2.26 0.43 0.00 0.00 0.00 0.00 32.46 31.48 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 5.63 0.74 -0.05 -1.55 4.06 -1.89 1.67 115.95 124.56 1a5j h TRP 81 Ca 0.39 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.38 1a5j h TRP 81 Cb 0.39 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1a5j h TRP 81 CO 1.81 0.21 0.09 0.00 -3.56 0.00 0.00 178.44 176.99 1a5j h ALA 82 N 1.61 1.44 0.00 1.49 0.00 -1.79 -1.39 119.26 120.63 1a5j h ALA 82 Ca 0.49 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.05 1a5j h ALA 82 Cb 0.97 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1a5j h ALA 82 CO -0.23 -0.12 -2.29 0.39 0.00 0.00 0.00 179.25 177.01 1a5j n GLU 83 N -3.53 0.84 -0.10 0.00 -0.58 0.49 -3.83 120.64 113.93 1a5j n GLU 83 Ca -0.02 0.05 -0.06 0.00 -0.42 0.00 0.00 57.16 56.72 1a5j n GLU 83 Cb 0.18 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 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 0.64 -0.31 -3.67 1.08 0.16 -1.40 117.51 114.02 1a5j h ILE 84 Ca -0.51 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 63.92 1a5j h ILE 84 Cb 2.01 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.39 1a5j h ILE 84 CO -0.02 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.48 1a5j h ALA 85 N 1.34 0.41 -1.75 1.87 0.00 -1.51 -2.30 119.26 117.33 1a5j h ALA 85 Ca 0.17 -0.21 0.51 0.00 0.00 0.00 0.00 54.91 55.38 1a5j h ALA 85 Cb 0.26 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1a5j h ALA 85 CO -0.36 0.12 1.33 0.87 0.00 0.00 0.00 179.25 181.21 1a5j h LYS 86 N 0.34 0.00 0.01 0.00 1.79 -1.37 1.61 116.57 118.96 1a5j h LYS 86 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1a5j h LYS 86 Cb 0.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 1a5j h LYS 86 CO 0.01 0.00 -0.01 -0.07 -1.08 0.00 0.00 179.45 178.30 1a5j h LEU 87 N 0.00 -0.02 -8.88 2.94 4.07 -0.96 -3.42 115.31 109.04 1a5j h LEU 87 Ca 0.83 -0.74 -0.63 0.00 0.08 0.00 0.00 57.88 57.41 1a5j h LEU 87 Cb 3.48 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 45.08 1a5j h LEU 87 CO -0.01 0.76 -0.15 -0.76 -1.08 0.00 0.00 178.44 177.21 1a5j s LEU 88 N -8.63 4.16 -0.58 1.67 1.43 0.55 -5.02 118.68 112.26 1a5j s LEU 88 Ca -0.17 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 1a5j s LEU 88 Cb -0.01 -2.51 0.01 0.00 0.03 0.00 0.00 46.19 43.71 1a5j s LEU 88 CO 0.64 -0.30 1.51 -2.16 0.23 0.00 0.00 176.35 176.28 1a5j s PRO 89 N 2.20 3.15 0.00 1.29 0.04 -1.25 -3.17 135.00 137.25 1a5j s PRO 89 Ca 0.17 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1a5j s PRO 89 Cb -0.16 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.19 1a5j s PRO 89 CO 0.11 -2.13 0.00 0.41 0.04 0.00 0.00 177.00 175.43 1a5j n GLY 90 N 5.38 0.42 3.86 0.56 0.00 -1.26 -5.15 105.19 108.99 1a5j n GLY 90 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1a5j n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j s ARG 91 N 0.00 2.46 0.06 1.61 1.81 -1.19 -5.08 118.95 118.62 1a5j s ARG 91 Ca 0.00 -1.62 0.00 0.00 -1.72 0.00 0.00 55.73 52.39 1a5j s ARG 91 Cb 0.00 -2.30 0.00 0.00 -0.45 0.00 0.00 34.95 32.20 1a5j s ARG 91 CO 0.00 -0.22 0.00 0.25 -0.68 0.00 0.00 175.30 174.65 1a5j n THR 92 N -1.53 0.46 0.03 0.02 -2.24 -1.26 -4.64 114.28 105.12 1a5j n THR 92 Ca 0.03 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1a5j n THR 92 Cb 0.62 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.94 -0.63 0.14 3.42 5.75 -1.26 -4.21 116.55 116.82 1a5j n ASP 93 Ca 0.00 0.25 0.10 0.00 -0.01 0.00 0.00 54.79 55.13 1a5j n ASP 93 Cb 0.00 0.81 0.52 0.00 -1.03 0.00 0.00 41.12 41.43 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 -2.56 0.53 0.01 -1.12 3.02 -1.26 -0.63 115.26 113.24 1a5j n ASN 94 Ca 0.00 0.72 -0.01 0.00 -0.03 0.00 0.00 54.58 55.27 1a5j n ASN 94 Cb 0.00 -0.80 -0.00 0.00 -0.61 0.00 0.00 39.78 38.37 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 2.05 -0.16 0.17 5.41 0.00 -1.96 -2.90 119.26 121.87 1a5j h ALA 95 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a5j h ALA 95 Cb 0.06 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1a5j h ALA 95 CO 0.00 -0.15 -0.26 0.28 0.00 0.00 0.00 179.25 179.12 1a5j h VAL 96 N -0.21 0.44 -0.79 0.00 2.07 -1.85 0.29 116.25 116.20 1a5j h VAL 96 Ca -0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1a5j h VAL 96 Cb 0.03 0.44 -0.10 0.00 -1.52 0.00 0.00 31.29 30.14 1a5j h VAL 96 CO 0.01 0.00 -0.50 0.50 0.02 0.00 0.00 177.57 177.60 1a5j h LYS 97 N -0.49 -0.04 0.06 1.57 3.64 -1.05 0.36 116.57 120.61 1a5j h LYS 97 Ca 0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1a5j h LYS 97 Cb 0.49 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1a5j h LYS 97 CO -0.11 -0.03 -0.22 -0.97 -2.27 0.00 0.00 179.45 175.85 1a5j h ASN 98 N -0.05 -0.62 -0.95 4.20 -0.73 -1.26 0.14 115.58 116.30 1a5j h ASN 98 Ca 0.13 0.08 0.28 0.00 1.87 0.00 0.00 56.30 58.65 1a5j h ASN 98 Cb 0.37 0.25 -0.04 0.00 0.27 0.00 0.00 38.32 39.17 1a5j h ASN 98 CO -0.76 -0.29 0.95 -0.74 -0.37 0.00 0.00 177.43 176.21 1a5j h HIS 99 N -0.37 0.00 0.09 0.67 2.76 0.24 1.05 115.15 119.59 1a5j h HIS 99 Ca 0.04 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1a5j h HIS 99 Cb 0.42 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1a5j h HIS 99 CO -0.23 0.00 -0.04 2.35 -1.30 0.00 0.00 177.93 178.70 1a5j h TRP 100 N 0.00 -0.11 0.00 5.26 -0.00 0.24 -2.34 115.95 119.00 1a5j h TRP 100 Ca 0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.34 1a5j h TRP 100 Cb 2.35 0.04 0.00 0.00 -0.00 0.00 0.00 29.16 31.55 1a5j h TRP 100 CO 0.00 -0.07 0.00 0.09 -0.00 0.00 0.00 178.44 178.46 1a5j n ASN 101 N -2.40 0.00 0.00 2.65 3.02 0.24 -0.93 115.26 117.84 1a5j n ASN 101 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1a5j n ASN 101 Cb 0.05 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.17 0.00 0.00 6.41 7.64 0.34 -4.71 113.62 122.13 1a5j n SER 102 Ca 0.08 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.12 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 -0.44 0.00 -0.10 0.44 -1.04 -0.97 -4.64 114.28 107.52 1a5j n THR 103 Ca 0.00 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.05 61.63 1a5j n THR 103 Cb 0.00 0.79 0.09 0.00 -1.82 0.00 0.00 70.33 69.39 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 -0.99 2.07 -3.51 12.58 5.41 -0.62 -4.69 119.36 129.61 1a5j n ILE 104 Ca 0.00 -0.94 -0.15 0.00 1.00 0.00 0.00 62.75 62.66 1a5j n ILE 104 Cb 0.00 -0.72 -0.12 0.00 -0.71 0.00 0.00 39.64 38.09 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 -1.65 0.22 -0.00 0.38 -0.14 -0.11 -4.68 119.74 113.75 1a5j s LYS 105 Ca 0.28 0.46 -0.00 0.00 -1.36 0.00 0.00 55.97 55.35 1a5j s LYS 105 Cb 0.24 -0.66 -0.00 0.00 -1.68 0.00 0.00 37.83 35.72 1a5j s LYS 105 CO 0.06 -0.54 0.22 0.00 -0.76 0.00 0.00 175.35 174.33 1a5j h ARG 106 N 8.27 -0.00 -5.38 1.68 -0.00 -1.89 -3.39 114.38 113.66 1a5j h ARG 106 Ca -0.17 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 58.98 1a5j h ARG 106 Cb 1.14 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.08 1a5j h ARG 106 CO 0.23 -0.00 1.08 1.17 0.00 0.00 0.00 179.97 182.45 1a5j n LYS 107 N -2.01 1.50 0.00 0.04 4.81 -1.26 -3.36 118.16 117.88 1a5j n LYS 107 Ca -0.00 -2.39 0.00 0.00 -0.87 0.00 0.00 58.31 55.05 1a5j n LYS 107 Cb 0.00 -3.70 0.00 0.00 0.02 0.00 0.00 35.03 31.35 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 7.78 0.00 -3.67 3.15 0.31 -1.26 -5.08 118.33 119.57 1a5j n VAL 108 Ca 0.45 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.52 1a5j n VAL 108 Cb 0.46 -0.10 0.01 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.14 -4.57 0.00 4.52 2.03 -1.22 -5.20 116.55 109.97 1a5j n ASP 109 Ca 0.00 -0.80 0.00 0.00 0.52 0.00 0.00 54.79 54.51 1a5j n ASP 109 Cb 0.00 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 38.91 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69