#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 3.60 0.00 -0.61 -5.25 -1.26 -4.87 121.20 112.80 1a5j s ILE 2 Ca 0.00 0.64 0.00 0.00 -0.99 0.00 0.00 60.65 60.30 1a5j s ILE 2 Cb 0.00 -3.20 0.00 0.00 2.95 0.00 0.00 42.46 42.21 1a5j s ILE 2 CO 0.00 -0.56 1.16 -0.81 -1.79 0.00 0.00 174.94 172.94 1a5j n PRO 3 N -2.73 0.75 -2.85 0.37 -0.04 -1.26 -4.71 135.00 124.52 1a5j n PRO 3 Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1a5j n PRO 3 Cb 0.53 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.84 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 1.17 -0.44 0.00 3.54 2.03 -1.26 -4.65 116.55 116.93 1a5j n ASP 4 Ca 0.00 -1.92 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1a5j n ASP 4 Cb 0.38 0.91 0.00 0.00 -0.72 0.00 0.00 41.12 41.69 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 0.33 0.10 -2.67 4.77 -1.25 -4.56 117.00 113.72 1a5j n LEU 5 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1a5j n LEU 5 Cb 0.27 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1a5j n LEU 5 CO 0.14 -0.19 0.00 0.52 -1.33 0.00 0.00 177.39 176.52 1a5j n VAL 6 N -2.10 0.04 1.56 4.08 0.31 -1.26 -4.36 118.33 116.60 1a5j n VAL 6 Ca 0.00 0.01 0.09 0.00 -0.01 0.00 0.00 64.34 64.44 1a5j n VAL 6 Cb 0.03 -0.39 0.56 0.00 -0.91 0.00 0.00 33.84 33.12 1a5j n VAL 6 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1a5j n LYS 7 N -3.18 0.78 0.00 5.55 0.00 -1.26 -4.12 118.16 115.93 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a5j n LYS 7 Cb 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a5j n GLY 8 N 0.49 -1.81 3.82 2.58 0.00 -1.26 -5.06 105.19 103.95 1a5j n GLY 8 Ca 0.14 0.80 -0.32 0.00 0.00 0.00 0.00 46.02 46.65 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 3.15 1.17 1.61 0.04 -1.26 -3.89 135.00 135.82 1a5j s PRO 9 Ca 0.00 1.05 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 1a5j s PRO 9 Cb 0.00 -2.02 0.21 0.00 0.04 0.00 0.00 34.50 32.73 1a5j s PRO 9 CO 0.00 -0.94 0.47 0.91 0.04 0.00 0.00 177.00 177.48 1a5j n TRP 10 N -2.62 -1.54 -2.93 0.56 7.02 -1.26 -4.92 117.44 111.76 1a5j n TRP 10 Ca 0.08 -0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.51 1a5j n TRP 10 Cb 0.53 -1.60 0.00 0.00 -2.42 0.00 0.00 31.31 27.83 1a5j n TRP 10 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1a5j n THR 11 N -4.78 0.00 -0.20 -0.99 -2.24 -1.26 -5.01 114.28 99.80 1a5j n THR 11 Ca 0.02 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.98 1a5j n THR 11 Cb 0.58 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.37 0.00 -0.78 3.64 -1.96 -1.49 116.57 116.34 1a5j h LYS 12 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1a5j h LYS 12 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1a5j h LYS 12 CO 0.00 0.24 0.00 -1.91 -2.27 0.00 0.00 179.45 175.51 1a5j n GLU 13 N -4.48 0.00 -0.33 1.90 0.00 -1.26 0.28 120.64 116.75 1a5j n GLU 13 Ca 0.17 0.51 0.13 0.00 0.00 0.00 0.00 57.16 57.97 1a5j n GLU 13 Cb 0.65 -1.20 0.35 0.00 0.00 0.00 0.00 31.44 31.24 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 0.71 0.00 5.31 3.07 -1.91 0.95 114.58 122.72 1a5j h GLU 14 Ca 0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1a5j h GLU 14 Cb 0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 1a5j h GLU 14 CO 0.00 0.47 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.49 1a5j h ASP 15 N 0.73 0.00 -0.14 1.42 3.32 -0.52 -1.57 116.42 119.66 1a5j h ASP 15 Ca 0.54 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.53 1a5j h ASP 15 Cb 0.88 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1a5j h ASP 15 CO -0.32 0.15 -0.09 0.06 -1.72 0.00 0.00 179.24 177.32 1a5j h GLN 16 N 0.00 0.46 -0.38 3.56 -0.00 1.20 -2.37 115.11 117.57 1a5j h GLN 16 Ca -0.00 -0.12 -0.14 0.00 -0.00 0.00 0.00 58.65 58.39 1a5j h GLN 16 Cb 0.35 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 27.77 1a5j h GLN 16 CO 0.02 0.55 -0.30 -0.22 -0.00 0.00 0.00 178.83 178.88 1a5j h LYS 17 N 0.43 0.89 -0.67 0.06 3.64 -1.11 -2.58 116.57 117.23 1a5j h LYS 17 Ca 0.09 -0.44 0.08 0.00 -1.27 0.00 0.00 60.65 59.11 1a5j h LYS 17 Cb 0.42 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1a5j h LYS 17 CO 0.02 1.09 0.44 0.28 -2.27 0.00 0.00 179.45 179.01 1a5j h VAL 18 N 0.70 0.96 -0.45 2.00 2.07 -1.29 0.11 116.25 120.35 1a5j h VAL 18 Ca 0.07 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.27 1a5j h VAL 18 Cb 0.89 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1a5j h VAL 18 CO 0.08 0.11 -0.20 0.40 0.02 0.00 0.00 177.57 177.98 1a5j h ILE 19 N 0.60 1.27 0.00 4.57 1.08 -1.13 -0.75 117.51 123.15 1a5j h ILE 19 Ca 0.30 -1.34 -0.01 0.00 -0.39 0.00 0.00 64.86 63.42 1a5j h ILE 19 Cb 0.39 1.14 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1a5j h ILE 19 CO -0.10 0.46 -0.06 -0.33 -0.69 0.00 0.00 178.15 177.43 1a5j h GLU 20 N 0.78 0.00 0.00 2.37 5.08 -0.47 -1.29 114.58 121.04 1a5j h GLU 20 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1a5j h GLU 20 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1a5j h GLU 20 CO 0.06 0.06 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.04 1a5j h LEU 21 N 0.00 0.00 -1.61 1.33 3.38 -0.48 -2.88 115.31 115.06 1a5j h LEU 21 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1a5j h LEU 21 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1a5j h LEU 21 CO 0.01 0.17 0.55 0.58 0.09 0.00 0.00 178.44 179.84 1a5j h VAL 22 N -0.31 0.11 0.36 1.22 2.07 -1.20 0.65 116.25 119.14 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 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1a5j h VAL 22 CO 0.00 0.00 -0.17 0.11 0.02 0.00 0.00 177.57 177.53 1a5j h LYS 23 N 0.00 -0.47 0.00 1.57 1.57 -1.32 1.42 116.57 119.34 1a5j h LYS 23 Ca 0.10 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1a5j h LYS 23 Cb 1.19 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1a5j h LYS 23 CO -0.00 -0.31 -0.03 -0.22 -0.57 0.00 0.00 179.45 178.32 1a5j h LYS 24 N -0.99 0.00 0.00 3.15 3.64 -0.71 -3.13 116.57 118.53 1a5j h LYS 24 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1a5j h LYS 24 Cb 0.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1a5j h LYS 24 CO 0.08 0.03 -0.22 1.88 -2.27 0.00 0.00 179.45 178.94 1a5j h TYR 25 N 0.00 0.00 -4.10 1.91 -1.99 0.23 -3.50 116.97 109.52 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 0.23 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1a5j h TYR 25 CO 0.00 0.00 -0.11 0.41 -0.00 0.00 0.00 178.16 178.46 1a5j n GLY 26 N 1.72 0.00 0.00 3.88 0.00 0.49 -4.82 105.19 106.45 1a5j n GLY 26 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.84 0.00 0.00 2.61 5.66 -1.26 -5.01 114.28 118.12 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 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 1a5j n THR 27 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1a5j n LYS 28 N 0.00 0.00 -3.81 1.09 3.00 -1.26 -5.11 118.16 112.06 1a5j n LYS 28 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.96 1a5j n LYS 28 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 34.91 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a5j s GLN 29 N 0.00 1.98 -0.00 1.64 -0.21 -1.26 -4.84 119.66 116.97 1a5j s GLN 29 Ca 0.00 -1.93 0.09 0.00 0.02 0.00 0.00 55.36 53.54 1a5j s GLN 29 Cb 0.00 -3.54 -0.10 0.00 1.00 0.00 0.00 33.01 30.37 1a5j s GLN 29 CO 0.00 -1.07 0.37 0.91 -2.12 0.00 0.00 175.29 173.39 1a5j n TRP 30 N 4.38 0.00 -0.10 0.91 7.02 -1.26 -4.49 117.44 123.90 1a5j n TRP 30 Ca -0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1a5j n TRP 30 Cb 0.41 -0.02 0.05 0.00 -2.42 0.00 0.00 31.31 29.32 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 1.27 0.08 -0.99 1.03 -2.00 -3.14 112.91 109.16 1a5j h THR 31 Ca 0.00 -1.42 0.02 0.00 -0.01 0.00 0.00 66.41 65.00 1a5j h THR 31 Cb 0.24 1.26 -0.04 0.00 -1.07 0.00 0.00 68.15 68.54 1a5j h THR 31 CO 0.00 0.48 -0.28 0.17 -0.01 0.00 0.00 175.52 175.87 1a5j h LEU 32 N 0.72 -0.83 0.00 0.00 8.10 -1.95 1.11 115.31 122.46 1a5j h LEU 32 Ca 0.09 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.18 1a5j h LEU 32 Cb 0.82 0.32 0.00 0.00 -0.44 0.00 0.00 40.66 41.36 1a5j h LEU 32 CO 0.07 -0.37 0.00 -0.38 -4.11 0.00 0.00 178.44 173.65 1a5j n ILE 33 N -5.39 0.00 0.17 0.15 -0.00 -1.19 0.39 119.36 113.48 1a5j n ILE 33 Ca -0.06 1.28 -0.16 0.00 -0.00 0.00 0.00 62.75 63.80 1a5j n ILE 33 Cb 0.31 -1.80 -0.09 0.00 -0.00 0.00 0.00 39.64 38.06 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 -1.47 -0.95 -0.97 -1.39 0.00 -1.55 1.20 119.26 114.12 1a5j h ALA 34 Ca 0.00 -0.12 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1a5j h ALA 34 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1a5j h ALA 34 CO 0.00 -1.09 0.87 -0.22 0.00 0.00 0.00 179.25 178.81 1a5j h LYS 35 N -0.80 0.00 0.00 0.00 3.64 0.19 -1.75 116.57 117.85 1a5j h LYS 35 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a5j h LYS 35 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1a5j h LYS 35 CO -0.20 0.00 -0.07 0.45 -2.27 0.00 0.00 179.45 177.36 1a5j h HIS 36 N 0.00 0.00 -2.56 1.91 3.86 1.10 -3.43 115.15 116.04 1a5j h HIS 36 Ca 0.46 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 59.02 1a5j h HIS 36 Cb 2.20 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 30.51 1a5j h HIS 36 CO 0.00 0.00 0.62 -0.51 0.86 0.00 0.00 177.93 178.90 1a5j s LEU 37 N -5.47 4.65 -0.29 2.43 1.43 0.37 -4.86 118.68 116.95 1a5j s LEU 37 Ca -0.02 -1.36 0.00 0.00 -1.03 0.00 0.00 54.13 51.72 1a5j s LEU 37 Cb 0.00 -2.41 0.26 0.00 0.03 0.00 0.00 46.19 44.08 1a5j s LEU 37 CO 0.03 -1.30 1.81 2.29 0.23 0.00 0.00 176.35 179.41 1a5j n LYS 38 N 7.27 1.76 0.00 1.70 -0.00 -1.19 -3.86 118.16 123.85 1a5j n LYS 38 Ca 0.05 -1.58 0.09 0.00 -0.00 0.00 0.00 58.31 56.87 1a5j n LYS 38 Cb 0.46 -1.62 -0.07 0.00 -0.00 0.00 0.00 35.03 33.80 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 0.07 -0.49 3.48 2.58 0.00 -1.26 -5.00 105.19 104.57 1a5j n GLY 39 Ca 0.31 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1a5j n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j s ARG 40 N -2.58 0.99 0.52 1.61 1.81 -1.25 -4.94 118.95 115.10 1a5j s ARG 40 Ca 0.11 -0.30 -0.20 0.00 -1.72 0.00 0.00 55.73 53.61 1a5j s ARG 40 Cb 0.15 0.46 -0.07 0.00 -0.45 0.00 0.00 34.95 35.04 1a5j s ARG 40 CO 0.68 -0.42 1.10 -0.51 -0.68 0.00 0.00 175.30 175.46 1a5j s LEU 41 N -2.42 3.79 -0.37 2.53 2.01 -1.26 -4.89 118.68 118.07 1a5j s LEU 41 Ca 0.02 2.09 -0.05 0.00 0.01 0.00 0.00 54.13 56.21 1a5j s LEU 41 Cb -0.01 -4.56 -0.04 0.00 0.01 0.00 0.00 46.19 41.59 1a5j s LEU 41 CO -0.09 -1.06 3.01 0.61 1.01 0.00 0.00 176.35 179.84 1a5j n GLY 42 N 0.03 3.98 0.09 -3.19 0.00 -1.26 -4.31 105.19 100.53 1a5j n GLY 42 Ca 0.11 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 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 1.43 0.51 -0.81 1.61 4.81 -1.26 -4.51 118.16 119.94 1a5j n LYS 43 Ca 0.48 0.36 -0.23 0.00 -0.87 0.00 0.00 58.31 58.05 1a5j n LYS 43 Cb 0.64 -1.56 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 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 -4.50 2.23 -2.27 1.64 7.27 -1.26 -4.78 117.38 115.71 1a5j n GLN 44 Ca -0.16 -1.48 -0.07 0.00 0.07 0.00 0.00 57.00 55.37 1a5j n GLN 44 Cb 0.46 -2.44 -0.01 0.00 2.41 0.00 0.00 30.24 30.67 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 -0.63 -0.53 -3.66 0.00 1.85 -1.26 -4.92 116.66 107.52 1a5j n ARG 46 Ca -0.02 0.01 -0.06 0.00 -1.00 0.00 0.00 57.85 56.78 1a5j n ARG 46 Cb 0.15 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 29.88 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1a5j s GLU 47 N -6.46 0.41 0.00 2.89 2.02 -1.26 -4.38 118.70 111.91 1a5j s GLU 47 Ca 0.31 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.47 1a5j s GLU 47 Cb -0.18 0.50 0.00 0.00 0.10 0.00 0.00 34.13 34.55 1a5j s GLU 47 CO 0.73 -0.23 0.00 -2.13 0.02 0.00 0.00 175.26 173.64 1a5j n ARG 48 N 5.38 0.00 0.00 1.61 3.00 -1.26 -4.60 116.66 120.79 1a5j n ARG 48 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1a5j n ARG 48 Cb 0.49 -2.08 0.00 0.00 0.00 0.00 0.00 32.46 30.88 1a5j n ARG 48 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 1a5j n TRP 49 N -2.00 0.00 0.00 -0.14 -0.00 -1.26 -4.97 117.44 109.07 1a5j n TRP 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1a5j n TRP 49 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.56 1a5j n TRP 49 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 1a5j n HIS 50 N -2.50 0.00 -1.56 5.87 -0.00 -1.26 -3.96 115.22 111.81 1a5j n HIS 50 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 1a5j n HIS 50 Cb 0.18 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 29.95 1a5j n HIS 50 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1a5j n ASN 51 N 0.00 1.44 0.03 0.26 3.02 -1.26 -2.56 115.26 116.19 1a5j n ASN 51 Ca 0.00 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 1a5j n ASN 51 Cb 0.00 -1.68 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 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 19.23 -1.75 -2.47 3.10 8.25 -1.26 -4.52 115.22 135.79 1a5j n HIS 52 Ca 0.43 0.21 -0.02 0.00 -0.26 0.00 0.00 57.72 58.08 1a5j n HIS 52 Cb 0.45 0.76 0.04 0.00 1.12 0.00 0.00 29.99 32.36 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 -2.33 -0.43 -0.05 2.41 -0.00 -1.16 -4.94 117.00 110.49 1a5j n LEU 53 Ca 0.00 -2.64 -0.14 0.00 -0.00 0.00 0.00 56.01 53.24 1a5j n LEU 53 Cb 0.00 0.12 -0.12 0.00 -0.00 0.00 0.00 43.42 43.42 1a5j n LEU 53 CO 0.00 1.35 0.46 -1.13 -0.00 0.00 0.00 177.39 178.08 1a5j h ASN 54 N 0.98 0.00 0.00 1.96 -0.73 -1.62 -3.42 115.58 112.75 1a5j h ASN 54 Ca -0.40 -0.84 0.00 0.00 1.87 0.00 0.00 56.30 56.93 1a5j h ASN 54 Cb 1.41 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.00 1a5j h ASN 54 CO -0.11 0.85 0.00 -0.81 -0.37 0.00 0.00 177.43 176.99 1a5j n PRO 55 N -4.68 0.00 -1.51 6.67 -0.04 -1.26 -5.06 135.00 129.12 1a5j n PRO 55 Ca -0.10 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.43 1a5j n PRO 55 Cb 0.41 -0.12 -0.04 0.00 -0.04 0.00 0.00 33.50 33.72 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 -3.66 0.00 0.54 2.13 -1.26 -4.95 120.64 113.43 1a5j n GLU 56 Ca 0.00 2.90 0.00 0.00 0.66 0.00 0.00 57.16 60.72 1a5j n GLU 56 Cb 0.00 -3.84 0.00 0.00 0.27 0.00 0.00 31.44 27.87 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 -3.29 0.00 -3.40 6.31 0.31 -1.26 -5.06 118.33 111.94 1a5j n VAL 57 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1a5j n VAL 57 Cb 0.54 -0.02 -0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 0.00 0.02 -1.76 5.55 4.01 -1.26 -5.06 118.16 119.66 1a5j n LYS 58 Ca 0.00 -0.05 -0.19 0.00 -0.51 0.00 0.00 58.31 57.56 1a5j n LYS 58 Cb 0.00 0.05 -0.07 0.00 -0.51 0.00 0.00 35.03 34.51 1a5j n LYS 58 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1a5j s LYS 59 N -2.01 1.93 -0.00 1.97 0.00 -1.26 -4.70 119.74 115.67 1a5j s LYS 59 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 55.97 56.02 1a5j s LYS 59 Cb -0.00 -4.92 0.01 0.00 0.00 0.00 0.00 37.83 32.92 1a5j s LYS 59 CO 0.00 -4.16 0.08 0.45 0.00 0.00 0.00 175.35 171.72 1a5j n SER 60 N 16.98 -0.07 -0.46 0.03 2.88 -1.26 -4.99 113.62 126.73 1a5j n SER 60 Ca 0.44 -1.01 0.07 0.00 -1.33 0.00 0.00 58.87 57.04 1a5j n SER 60 Cb 0.45 0.11 0.18 0.00 -0.75 0.00 0.00 64.21 64.20 1a5j n SER 60 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1a5j n SER 61 N -0.20 2.31 -4.55 -3.46 2.88 -1.26 -5.02 113.62 104.32 1a5j n SER 61 Ca 0.00 -3.44 -0.24 0.00 -1.33 0.00 0.00 58.87 53.87 1a5j n SER 61 Cb 0.03 -0.50 0.12 0.00 -0.75 0.00 0.00 64.21 63.12 1a5j n SER 61 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1a5j n TRP 62 N -1.20 -2.97 -3.58 0.66 7.02 -1.26 -5.13 117.44 110.98 1a5j n TRP 62 Ca 0.20 -1.76 0.00 0.00 -1.02 0.00 0.00 57.50 54.92 1a5j n TRP 62 Cb 0.73 -0.75 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 1a5j n TRP 62 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1a5j n THR 63 N -2.91 0.00 0.00 -0.99 -1.04 -1.26 -4.83 114.28 103.25 1a5j n THR 63 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1a5j n THR 63 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a5j n GLU 64 N 0.00 0.00 -0.25 -2.82 -0.58 -1.26 -3.03 120.64 112.70 1a5j n GLU 64 Ca 0.00 0.02 0.32 0.00 -0.42 0.00 0.00 57.16 57.08 1a5j n GLU 64 Cb 0.00 -0.50 0.65 0.00 -0.57 0.00 0.00 31.44 31.02 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 0.00 -0.57 3.49 5.08 -1.99 1.53 114.58 122.12 1a5j h GLU 65 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1a5j h GLU 65 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1a5j h GLU 65 CO 0.00 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 178.87 1a5j h GLU 66 N 0.00 1.05 -0.13 2.33 4.39 -1.99 0.11 114.58 120.34 1a5j h GLU 66 Ca 0.51 -0.37 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1a5j h GLU 66 Cb 2.46 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 31.03 1a5j h GLU 66 CO -0.01 1.06 -0.11 0.22 -1.16 0.00 0.00 179.01 179.01 1a5j h ASP 67 N 0.94 0.33 0.66 1.42 1.82 0.22 -2.79 116.42 119.03 1a5j h ASP 67 Ca 0.15 -0.47 -0.03 0.00 -0.39 0.00 0.00 57.03 56.30 1a5j h ASP 67 Cb 0.63 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.55 1a5j h ASP 67 CO 0.04 0.73 -0.36 0.03 -1.61 0.00 0.00 179.24 178.07 1a5j h ARG 68 N -0.06 -0.91 0.00 0.28 3.08 -1.26 0.50 114.38 116.01 1a5j h ARG 68 Ca 0.02 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1a5j h ARG 68 Cb 0.63 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1a5j h ARG 68 CO 0.03 -0.61 0.00 -0.89 -1.07 0.00 0.00 179.97 177.43 1a5j n ILE 69 N -4.69 0.00 -0.19 2.04 5.41 0.38 0.17 119.36 122.48 1a5j n ILE 69 Ca -0.12 1.36 -0.01 0.00 1.00 0.00 0.00 62.75 64.98 1a5j n ILE 69 Cb 0.38 -1.83 0.06 0.00 -0.71 0.00 0.00 39.64 37.54 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 0.43 0.00 1.39 2.04 -1.52 1.62 117.51 121.47 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 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1a5j h ILE 70 CO 0.00 0.00 0.05 0.15 0.00 0.00 0.00 178.15 178.35 1a5j h PHE 71 N 0.01 0.00 0.00 1.37 3.57 0.36 0.45 116.94 122.70 1a5j h PHE 71 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1a5j h PHE 71 Cb 0.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1a5j h PHE 71 CO -0.46 0.00 -1.01 -0.85 -2.23 0.00 0.00 178.31 173.76 1a5j n GLU 72 N -2.28 1.60 0.06 1.11 -0.00 0.49 -4.31 120.64 117.31 1a5j n GLU 72 Ca -0.01 -0.04 0.07 0.00 -0.00 0.00 0.00 57.16 57.17 1a5j n GLU 72 Cb 0.08 -1.25 -0.06 0.00 -0.00 0.00 0.00 31.44 30.21 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1a5j n ALA 73 N -1.56 2.35 0.50 -1.84 0.00 0.21 -3.72 120.51 116.46 1a5j n ALA 73 Ca 0.01 -0.42 0.13 0.00 0.00 0.00 0.00 53.44 53.16 1a5j n ALA 73 Cb 0.28 -0.97 0.45 0.00 0.00 0.00 0.00 19.45 19.22 1a5j n ALA 73 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1a5j n HIS 74 N -2.67 0.89 -0.46 0.00 -0.00 0.53 -1.94 115.22 111.56 1a5j n HIS 74 Ca -0.05 0.30 0.10 0.00 0.46 0.00 0.00 57.72 58.54 1a5j n HIS 74 Cb 0.66 -0.99 0.32 0.00 -0.12 0.00 0.00 29.99 29.86 1a5j n HIS 74 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1a5j n LYS 75 N -2.27 3.14 -0.03 1.57 2.85 -1.24 -3.35 118.16 118.83 1a5j n LYS 75 Ca 0.04 -2.69 -0.03 0.00 -1.05 0.00 0.00 58.31 54.57 1a5j n LYS 75 Cb 0.32 -1.67 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 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 1.27 0.35 0.00 0.58 0.31 -0.82 -4.97 118.33 115.06 1a5j n VAL 76 Ca 0.24 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1a5j n VAL 76 Cb 0.71 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 -2.40 0.00 0.00 7.52 4.32 -0.99 -5.13 117.00 120.32 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 0.64 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.44 1a5j n LEU 77 CO 0.09 -0.35 0.00 0.61 -1.22 0.00 0.00 177.39 176.51 1a5j n GLY 78 N 3.07 -0.23 1.33 -0.72 0.00 -1.21 -4.86 105.19 102.57 1a5j n GLY 78 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 3.52 -2.63 1.61 6.94 -1.26 -4.55 115.26 118.89 1a5j n ASN 79 Ca 0.00 -2.57 -0.14 0.00 -0.02 0.00 0.00 54.58 51.85 1a5j n ASN 79 Cb 0.00 -0.62 -0.06 0.00 -2.36 0.00 0.00 39.78 36.74 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 1.60 -0.32 -3.83 3.00 -1.26 -4.49 116.66 111.55 1a5j n ARG 80 Ca 0.18 -0.98 0.24 0.00 -0.01 0.00 0.00 57.85 57.29 1a5j n ARG 80 Cb 0.84 -2.08 0.54 0.00 0.00 0.00 0.00 32.46 31.76 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 5.11 0.56 -0.66 -1.55 4.06 -1.90 2.07 115.95 123.64 1a5j h TRP 81 Ca 0.29 0.02 0.17 0.00 2.06 0.00 0.00 58.89 61.43 1a5j h TRP 81 Cb 0.58 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.54 1a5j h TRP 81 CO 1.68 0.05 0.46 0.00 -3.56 0.00 0.00 178.44 177.07 1a5j h ALA 82 N 1.60 2.46 0.00 1.49 0.00 -1.89 0.21 119.26 123.12 1a5j h ALA 82 Ca 0.59 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 55.16 1a5j h ALA 82 Cb 1.60 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 1a5j h ALA 82 CO -0.26 -0.65 -2.18 0.39 0.00 0.00 0.00 179.25 176.55 1a5j n GLU 83 N -4.39 0.51 -0.31 0.00 -0.58 0.58 -4.03 120.64 112.42 1a5j n GLU 83 Ca 0.13 0.14 0.14 0.00 -0.42 0.00 0.00 57.16 57.15 1a5j n GLU 83 Cb 0.65 -1.39 0.32 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.15 0.41 -0.03 -3.67 5.03 0.25 1.47 117.51 120.83 1a5j h ILE 84 Ca -0.48 -0.12 -0.12 0.00 -0.12 0.00 0.00 64.86 64.02 1a5j h ILE 84 Cb 1.67 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 35.49 1a5j h ILE 84 CO -0.12 0.06 -0.55 0.00 -0.68 0.00 0.00 178.15 176.86 1a5j h ALA 85 N 1.74 1.03 0.00 1.87 0.00 -1.18 -3.35 119.26 119.37 1a5j h ALA 85 Ca 0.58 -0.50 -0.51 0.00 0.00 0.00 0.00 54.91 54.48 1a5j h ALA 85 Cb 1.14 -0.09 0.07 0.00 0.00 0.00 0.00 17.79 18.91 1a5j h ALA 85 CO -0.57 0.69 1.94 1.63 0.00 0.00 0.00 179.25 182.93 1a5j n LYS 86 N -3.90 1.00 0.00 0.00 5.02 0.50 -2.46 118.16 118.32 1a5j n LYS 86 Ca -0.02 -1.38 0.00 0.00 -2.02 0.00 0.00 58.31 54.89 1a5j n LYS 86 Cb 0.56 -2.61 0.00 0.00 -0.02 0.00 0.00 35.03 32.96 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 7.04 0.00 -4.33 -0.35 4.77 -1.26 -4.98 117.00 117.89 1a5j n LEU 87 Ca 0.42 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 56.07 1a5j n LEU 87 Cb 0.31 0.15 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 1a5j n LEU 87 CO 0.96 -0.22 -0.45 -0.76 -1.33 0.00 0.00 177.39 175.59 1a5j s LEU 88 N -3.87 2.66 -0.61 2.23 1.43 -1.03 -5.06 118.68 114.42 1a5j s LEU 88 Ca 0.00 -0.38 -0.27 0.00 -1.03 0.00 0.00 54.13 52.45 1a5j s LEU 88 Cb 0.00 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.62 1a5j s LEU 88 CO 0.00 0.13 1.53 -2.16 0.23 0.00 0.00 176.35 176.08 1a5j s PRO 89 N 0.58 3.07 0.00 1.29 0.04 -1.26 -4.10 135.00 134.62 1a5j s PRO 89 Ca -0.08 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1a5j s PRO 89 Cb -0.16 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 30.16 1a5j s PRO 89 CO 0.03 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.26 1a5j n GLY 90 N 5.43 -0.03 0.00 0.56 0.00 -1.26 -5.17 105.19 104.71 1a5j n GLY 90 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1a5j n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5j n ARG 91 N 0.00 0.00 -1.56 1.61 3.00 -1.26 -5.14 116.66 113.31 1a5j n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a5j n ARG 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1a5j n ARG 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1a5j n THR 92 N -0.29 0.00 0.11 5.15 -2.24 -1.26 -4.93 114.28 110.81 1a5j n THR 92 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1a5j n THR 92 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 0.00 -0.27 -1.08 3.42 2.03 -1.90 -2.58 116.42 116.03 1a5j h ASP 93 Ca 0.00 0.01 0.31 0.00 -0.73 0.00 0.00 57.03 56.62 1a5j h ASP 93 Cb 0.00 0.07 -0.04 0.00 -0.83 0.00 0.00 39.33 38.53 1a5j h ASP 93 CO 0.00 0.01 0.90 -0.55 -1.03 0.00 0.00 179.24 178.57 1a5j h ASN 94 N -0.73 0.00 0.18 4.15 7.08 -1.97 0.73 115.58 125.01 1a5j h ASN 94 Ca -0.03 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.18 1a5j h ASN 94 Cb 0.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 1a5j h ASN 94 CO 0.05 0.00 -0.09 0.00 -2.08 0.00 0.00 177.43 175.32 1a5j h ALA 95 N 1.21 -0.75 0.24 4.14 0.00 -1.95 -2.08 119.26 120.06 1a5j h ALA 95 Ca 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1a5j h ALA 95 Cb 2.32 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 20.18 1a5j h ALA 95 CO -0.01 -0.74 -0.23 0.28 0.00 0.00 0.00 179.25 178.56 1a5j h VAL 96 N -0.32 0.51 -0.45 0.00 2.07 -0.64 0.82 116.25 118.24 1a5j h VAL 96 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1a5j h VAL 96 Cb 0.19 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1a5j h VAL 96 CO 0.04 0.00 -0.26 1.17 0.02 0.00 0.00 177.57 178.54 1a5j n LYS 97 N -5.35 -0.20 -0.08 1.57 4.81 0.24 0.43 118.16 119.59 1a5j n LYS 97 Ca -0.08 1.11 -0.07 0.00 -0.87 0.00 0.00 58.31 58.40 1a5j n LYS 97 Cb 0.26 -1.65 -0.01 0.00 0.02 0.00 0.00 35.03 33.65 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 -0.25 -0.73 3.14 -0.73 -1.19 0.30 115.58 116.12 1a5j h ASN 98 Ca 0.07 0.08 0.21 0.00 1.87 0.00 0.00 56.30 58.54 1a5j h ASN 98 Cb 0.18 0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.92 1a5j h ASN 98 CO -0.42 -0.09 0.81 -0.74 -0.37 0.00 0.00 177.43 176.63 1a5j h HIS 99 N 0.01 0.00 0.04 0.67 2.76 0.25 0.85 115.15 119.74 1a5j h HIS 99 Ca 0.14 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1a5j h HIS 99 Cb 0.21 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.17 1a5j h HIS 99 CO -0.27 0.00 -0.02 2.35 -1.30 0.00 0.00 177.93 178.69 1a5j h TRP 100 N 0.00 -0.05 0.00 5.26 -0.00 0.35 -2.39 115.95 119.12 1a5j h TRP 100 Ca 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.24 1a5j h TRP 100 Cb 1.97 0.02 0.00 0.00 -0.00 0.00 0.00 29.16 31.15 1a5j h TRP 100 CO 0.00 -0.03 0.00 0.09 -0.00 0.00 0.00 178.44 178.50 1a5j n ASN 101 N -2.18 0.00 0.00 2.65 3.02 -0.08 -0.91 115.26 117.76 1a5j n ASN 101 Ca -0.01 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1a5j n ASN 101 Cb 0.02 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 38.97 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 -1.23 0.00 0.00 6.41 7.64 0.28 -4.71 113.62 122.01 1a5j n SER 102 Ca 0.06 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.13 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 -0.49 0.00 -0.35 0.44 -1.04 -0.96 -4.66 114.28 107.23 1a5j n THR 103 Ca 0.00 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 61.63 1a5j n THR 103 Cb 0.00 0.76 0.09 0.00 -1.82 0.00 0.00 70.33 69.36 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 -0.95 2.32 -3.45 12.58 5.41 -0.44 -4.69 119.36 130.14 1a5j n ILE 104 Ca 0.00 -1.18 -0.13 0.00 1.00 0.00 0.00 62.75 62.44 1a5j n ILE 104 Cb 0.00 -0.83 -0.10 0.00 -0.71 0.00 0.00 39.64 37.99 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 -1.83 0.27 -0.01 0.38 -0.14 -0.09 -4.65 119.74 113.67 1a5j s LYS 105 Ca 0.32 0.46 -0.01 0.00 -1.36 0.00 0.00 55.97 55.38 1a5j s LYS 105 Cb 0.26 -0.66 -0.01 0.00 -1.68 0.00 0.00 37.83 35.75 1a5j s LYS 105 CO 0.05 -0.59 0.28 0.00 -0.76 0.00 0.00 175.35 174.33 1a5j h ARG 106 N 8.24 -0.04 -5.22 1.68 -0.00 -1.89 -3.38 114.38 113.76 1a5j h ARG 106 Ca -0.18 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 58.89 1a5j h ARG 106 Cb 1.15 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 31.11 1a5j h ARG 106 CO 0.25 -0.03 1.37 1.17 0.00 0.00 0.00 179.97 182.74 1a5j n LYS 107 N -2.34 1.56 0.00 0.04 4.81 -1.26 -3.41 118.16 117.56 1a5j n LYS 107 Ca -0.00 -2.30 0.00 0.00 -0.87 0.00 0.00 58.31 55.13 1a5j n LYS 107 Cb 0.02 -3.52 0.00 0.00 0.02 0.00 0.00 35.03 31.54 1a5j n LYS 107 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1a5j n VAL 108 N 7.37 0.00 -2.94 3.15 3.14 -1.26 -5.02 118.33 122.77 1a5j n VAL 108 Ca 0.46 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.71 1a5j n VAL 108 Cb 0.45 -0.17 -0.01 0.00 -1.06 0.00 0.00 33.84 33.05 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a5j n ASP 109 N -2.20 -2.05 0.00 6.55 2.03 -1.22 -5.20 116.55 114.47 1a5j n ASP 109 Ca 0.00 -2.95 0.00 0.00 0.52 0.00 0.00 54.79 52.36 1a5j n ASP 109 Cb 0.00 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35