#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 2.28 0.00 -0.61 -4.36 -1.26 -5.15 121.20 112.11 1a5j s ILE 2 Ca 0.00 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1a5j s ILE 2 Cb 0.00 -2.94 0.00 0.00 1.25 0.00 0.00 42.46 40.77 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 -1.29 0.51 -0.71 0.37 -0.04 -1.26 -4.98 135.00 127.60 1a5j n PRO 3 Ca -0.01 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.16 1a5j n PRO 3 Cb 0.64 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.35 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 0.56 -0.11 3.54 2.15 -1.26 -3.85 116.67 116.45 1a5j s ASP 4 Ca 0.00 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1a5j s ASP 4 Cb 0.00 -1.59 0.00 0.00 -0.30 0.00 0.00 42.92 41.03 1a5j s ASP 4 CO 0.00 -4.39 0.00 0.18 -0.17 0.00 0.00 175.17 170.79 1a5j n LEU 5 N -5.00 -0.03 -0.05 -1.34 4.77 -1.26 -4.86 117.00 109.23 1a5j n LEU 5 Ca 0.08 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 1a5j n LEU 5 Cb 0.58 -0.70 -0.11 0.00 -2.33 0.00 0.00 43.42 40.85 1a5j n LEU 5 CO 0.51 -0.10 -0.86 0.52 -1.33 0.00 0.00 177.39 176.13 1a5j n VAL 6 N -2.93 0.62 0.98 4.08 0.31 -1.25 -3.88 118.33 116.26 1a5j n VAL 6 Ca -0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1a5j n VAL 6 Cb 0.06 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 -2.34 0.98 0.00 5.55 4.01 -1.26 -3.97 118.16 121.12 1a5j n LYS 7 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1a5j n LYS 7 Cb 0.76 -1.39 0.00 0.00 -0.51 0.00 0.00 35.03 33.89 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 0.12 -1.83 3.66 0.72 0.00 -1.26 -5.13 105.19 101.46 1a5j n GLY 8 Ca 0.00 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.38 1a5j n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5j s PRO 9 N 0.00 4.24 0.89 1.61 0.04 -1.25 -4.94 135.00 135.59 1a5j s PRO 9 Ca 0.00 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 1a5j s PRO 9 Cb 0.00 -3.75 0.13 0.00 0.04 0.00 0.00 34.50 30.92 1a5j s PRO 9 CO 0.00 -0.69 1.16 -1.58 0.04 0.00 0.00 177.00 175.93 1a5j s TRP 10 N 3.39 2.54 0.00 0.56 0.52 -1.26 -5.08 118.94 119.61 1a5j s TRP 10 Ca 0.55 0.80 0.00 0.00 0.02 0.00 0.00 56.10 57.47 1a5j s TRP 10 Cb -0.22 -3.45 0.00 0.00 -1.15 0.00 0.00 33.47 28.65 1a5j s TRP 10 CO 0.16 -2.26 0.00 0.25 0.02 0.00 0.00 176.95 175.12 1a5j n THR 11 N -3.67 0.00 0.12 2.01 -2.24 -1.26 -5.01 114.28 104.22 1a5j n THR 11 Ca 0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1a5j n THR 11 Cb 0.60 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.28 0.00 -0.78 3.11 -1.98 -1.94 116.57 115.27 1a5j h LYS 12 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1a5j h LYS 12 Cb 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.17 1a5j h LYS 12 CO 0.00 0.20 0.00 -1.91 -2.81 0.00 0.00 179.45 174.93 1a5j n GLU 13 N -4.49 0.00 -0.35 1.90 0.00 -1.26 0.23 120.64 116.66 1a5j n GLU 13 Ca 0.00 0.47 0.14 0.00 0.00 0.00 0.00 57.16 57.77 1a5j n GLU 13 Cb 0.08 -1.25 0.34 0.00 0.00 0.00 0.00 31.44 30.62 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 0.70 0.00 5.31 4.39 -1.95 1.08 114.58 124.11 1a5j h GLU 14 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1a5j h GLU 14 Cb 0.00 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1a5j h GLU 14 CO 0.00 0.47 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.70 1a5j h ASP 15 N 0.72 0.00 0.26 1.42 5.19 -0.88 -1.37 116.42 121.76 1a5j h ASP 15 Ca 0.58 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.91 1a5j h ASP 15 Cb 0.95 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.45 1a5j h ASP 15 CO -0.38 0.17 -0.33 0.06 -3.12 0.00 0.00 179.24 175.64 1a5j h GLN 16 N 0.00 0.11 -0.37 3.56 -0.00 1.15 -1.46 115.11 118.11 1a5j h GLN 16 Ca -0.00 -0.04 -0.16 0.00 -0.00 0.00 0.00 58.65 58.45 1a5j h GLN 16 Cb 0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 27.84 1a5j h GLN 16 CO 0.02 0.44 -0.39 -0.22 -0.00 0.00 0.00 178.83 178.68 1a5j h LYS 17 N 0.10 0.90 0.63 0.06 3.64 -0.91 -2.22 116.57 118.78 1a5j h LYS 17 Ca 0.01 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 58.88 1a5j h LYS 17 Cb 0.64 0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1a5j h LYS 17 CO 0.05 1.13 -0.30 0.28 -2.27 0.00 0.00 179.45 178.33 1a5j h VAL 18 N 0.74 0.24 -1.03 2.00 2.07 -1.31 -1.07 116.25 117.90 1a5j h VAL 18 Ca 0.06 -0.28 0.30 0.00 0.82 0.00 0.00 66.70 67.60 1a5j h VAL 18 Cb 0.98 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1a5j h VAL 18 CO 0.09 0.03 0.76 0.40 0.02 0.00 0.00 177.57 178.87 1a5j h ILE 19 N -1.07 0.45 0.00 4.57 5.03 -1.31 1.83 117.51 127.01 1a5j h ILE 19 Ca -0.09 0.00 -0.14 0.00 -0.12 0.00 0.00 64.86 64.51 1a5j h ILE 19 Cb 0.70 0.46 -0.02 0.00 -3.03 0.00 0.00 36.82 34.93 1a5j h ILE 19 CO 0.14 0.00 -0.68 -0.08 -0.68 0.00 0.00 178.15 176.85 1a5j h GLU 20 N 0.00 0.00 -0.32 2.37 4.81 -0.89 -2.30 114.58 118.25 1a5j h GLU 20 Ca 0.49 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.57 1a5j h GLU 20 Cb 2.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.39 1a5j h GLU 20 CO -0.01 0.68 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.50 1a5j h LEU 21 N 0.00 0.89 -1.03 1.64 3.38 0.41 -1.75 115.31 118.84 1a5j h LEU 21 Ca -0.01 -0.49 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1a5j h LEU 21 Cb 1.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1a5j h LEU 21 CO 0.09 1.20 -0.48 0.58 0.09 0.00 0.00 178.44 179.92 1a5j h VAL 22 N 0.60 1.34 0.00 1.22 2.07 -1.23 1.68 116.25 121.94 1a5j h VAL 22 Ca 0.04 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 65.82 1a5j h VAL 22 Cb 0.98 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1a5j h VAL 22 CO 0.09 0.47 -0.44 0.11 0.02 0.00 0.00 177.57 177.82 1a5j h LYS 23 N 0.01 0.00 0.00 1.57 1.57 -1.17 1.51 116.57 120.06 1a5j h LYS 23 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1a5j h LYS 23 Cb 0.85 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 1a5j h LYS 23 CO 0.06 0.44 -2.02 1.17 -0.57 0.00 0.00 179.45 178.53 1a5j n LYS 24 N -3.71 0.66 -0.08 3.15 4.81 -0.68 -4.54 118.16 117.78 1a5j n LYS 24 Ca -0.01 0.03 -0.10 0.00 -0.87 0.00 0.00 58.31 57.36 1a5j n LYS 24 Cb 0.51 -1.61 -0.06 0.00 0.02 0.00 0.00 35.03 33.90 1a5j n LYS 24 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1a5j h TYR 25 N 0.00 0.00 -2.47 5.64 -1.99 0.26 -3.50 116.97 114.91 1a5j h TYR 25 Ca -0.32 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.41 1a5j h TYR 25 Cb 1.80 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.53 1a5j h TYR 25 CO 0.00 0.56 0.00 0.41 -0.00 0.00 0.00 178.16 179.13 1a5j n GLY 26 N 1.59 0.00 0.00 3.88 0.00 0.51 -4.79 105.19 106.38 1a5j n GLY 26 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.66 0.00 0.00 2.61 5.66 -1.26 -4.99 114.28 117.96 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 1.17 -3.05 0.00 0.00 175.07 173.19 1a5j n LYS 28 N 0.00 0.00 -3.69 1.09 3.00 -1.26 -5.10 118.16 112.20 1a5j n LYS 28 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1a5j n LYS 28 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 35.03 34.94 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 2.59 -0.00 1.64 -0.21 -1.26 -4.79 119.66 117.62 1a5j s GLN 29 Ca 0.00 -2.44 0.11 0.00 0.02 0.00 0.00 55.36 53.05 1a5j s GLN 29 Cb 0.00 -3.78 -0.13 0.00 1.00 0.00 0.00 33.01 30.11 1a5j s GLN 29 CO 0.00 -1.17 0.40 0.91 -2.12 0.00 0.00 175.29 173.31 1a5j n TRP 30 N 3.67 0.00 -0.07 0.91 7.02 -1.26 -4.51 117.44 123.20 1a5j n TRP 30 Ca 0.07 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.42 1a5j n TRP 30 Cb 0.39 -0.06 -0.06 0.00 -2.42 0.00 0.00 31.31 29.16 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 1.32 0.00 -0.99 1.03 -2.01 -2.55 112.91 109.71 1a5j h THR 31 Ca 0.00 -1.36 0.00 0.00 -0.01 0.00 0.00 66.41 65.04 1a5j h THR 31 Cb 0.32 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.12 1a5j h THR 31 CO 0.00 0.42 0.27 0.17 -0.01 0.00 0.00 175.52 176.36 1a5j h LEU 32 N 0.19 0.00 0.61 0.00 -0.00 -1.95 0.66 115.31 114.82 1a5j h LEU 32 Ca 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1a5j h LEU 32 Cb 0.75 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1a5j h LEU 32 CO 0.05 0.00 -0.29 0.40 -0.00 0.00 0.00 178.44 178.60 1a5j h ILE 33 N 0.00 0.00 -0.01 0.15 1.08 -1.72 0.21 117.51 117.22 1a5j h ILE 33 Ca 0.00 -0.25 -0.14 0.00 -0.39 0.00 0.00 64.86 64.08 1a5j h ILE 33 Cb 0.53 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.27 1a5j h ILE 33 CO 0.00 0.00 -0.65 0.00 -0.69 0.00 0.00 178.15 176.81 1a5j h ALA 34 N -1.38 0.90 0.00 1.87 0.00 -1.31 -0.66 119.26 118.68 1a5j h ALA 34 Ca -0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1a5j h ALA 34 Cb 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a5j h ALA 34 CO 0.14 0.80 -0.26 -0.22 0.00 0.00 0.00 179.25 179.71 1a5j h LYS 35 N 0.04 0.00 0.00 0.00 3.11 0.26 -3.07 116.57 116.91 1a5j h LYS 35 Ca -0.01 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.76 1a5j h LYS 35 Cb 1.15 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.37 1a5j h LYS 35 CO 0.09 0.26 -0.43 0.45 -2.81 0.00 0.00 179.45 177.00 1a5j h HIS 36 N 0.00 0.00 -3.44 1.91 3.86 -0.20 -3.42 115.15 113.86 1a5j h HIS 36 Ca -0.00 0.00 -0.73 0.00 -1.16 0.00 0.00 60.37 58.48 1a5j h HIS 36 Cb 0.52 0.00 -0.30 0.00 1.06 0.00 0.00 27.41 28.69 1a5j h HIS 36 CO 0.00 0.82 -0.29 -0.51 0.86 0.00 0.00 177.93 178.81 1a5j s LEU 37 N -8.18 5.80 0.00 2.43 1.43 -0.29 -5.06 118.68 114.82 1a5j s LEU 37 Ca -0.18 -2.25 0.00 0.00 -1.03 0.00 0.00 54.13 50.67 1a5j s LEU 37 Cb 0.01 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1a5j s LEU 37 CO 0.47 -0.61 0.00 0.29 0.23 0.00 0.00 176.35 176.73 1a5j n LYS 38 N 4.45 1.53 0.00 1.70 4.76 -1.17 -4.48 118.16 124.95 1a5j n LYS 38 Ca -0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1a5j n LYS 38 Cb 0.41 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.60 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a5j n GLY 39 N 5.00 1.50 3.76 0.72 0.00 -1.26 -4.85 105.19 110.07 1a5j n GLY 39 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.42 -0.18 1.61 3.00 -1.26 -5.03 118.95 119.50 1a5j s ARG 40 Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 55.73 53.89 1a5j s ARG 40 Cb 0.00 -2.21 -0.03 0.00 0.00 0.00 0.00 34.95 32.71 1a5j s ARG 40 CO 0.00 0.05 1.57 -0.51 0.00 0.00 0.00 175.30 176.41 1a5j s LEU 41 N -3.90 4.02 0.61 2.53 2.01 -1.26 -4.85 118.68 117.84 1a5j s LEU 41 Ca 0.39 1.75 0.31 0.00 0.01 0.00 0.00 54.13 56.59 1a5j s LEU 41 Cb -0.02 -3.53 1.76 0.00 0.01 0.00 0.00 46.19 44.40 1a5j s LEU 41 CO 0.24 -1.12 2.12 1.23 1.01 0.00 0.00 176.35 179.83 1a5j h GLY 42 N 11.10 0.00 0.00 -3.19 0.00 -1.88 -3.41 103.07 105.69 1a5j h GLY 42 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1a5j h GLY 42 CO 0.99 0.00 0.00 1.17 0.00 0.00 0.00 176.54 178.70 1a5j n LYS 43 N -3.61 1.72 -2.81 4.80 4.81 -1.26 -4.02 118.16 117.79 1a5j n LYS 43 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1a5j n LYS 43 Cb 0.29 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.33 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 0.00 -2.64 -0.01 1.64 7.27 -1.26 -4.62 117.38 117.76 1a5j n GLN 44 Ca 0.00 0.07 -0.02 0.00 0.07 0.00 0.00 57.00 57.12 1a5j n GLN 44 Cb 0.00 -4.59 -0.01 0.00 2.41 0.00 0.00 30.24 28.05 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 -2.88 -0.24 -1.66 0.00 1.74 -1.26 -3.43 116.66 108.93 1a5j n ARG 46 Ca -0.04 1.53 -0.16 0.00 -0.77 0.00 0.00 57.85 58.41 1a5j n ARG 46 Cb 0.53 -2.27 -0.08 0.00 -1.02 0.00 0.00 32.46 29.62 1a5j n ARG 46 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1a5j s GLU 47 N -5.93 1.60 0.00 5.56 2.12 -1.26 0.12 118.70 120.91 1a5j s GLU 47 Ca -0.14 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.18 1a5j s GLU 47 Cb 0.20 -4.91 0.00 0.00 0.26 0.00 0.00 34.13 29.68 1a5j s GLU 47 CO 0.71 -4.69 0.00 0.54 -0.54 0.00 0.00 175.26 171.27 1a5j n ARG 48 N 8.57 0.00 0.00 4.30 5.12 -1.22 -4.95 116.66 128.48 1a5j n ARG 48 Ca 0.44 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1a5j n ARG 48 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 1a5j n ARG 48 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1a5j n TRP 49 N 0.00 0.00 -0.27 -1.55 4.27 -0.50 -4.53 117.44 114.85 1a5j n TRP 49 Ca 0.00 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.57 1a5j n TRP 49 Cb 0.00 0.00 0.12 0.00 -1.36 0.00 0.00 31.31 30.07 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 1.13 0.00 -2.67 6.17 -0.59 -3.22 115.15 115.98 1a5j h HIS 50 Ca 0.00 -0.05 -0.15 0.00 0.71 0.00 0.00 60.37 60.88 1a5j h HIS 50 Cb 0.00 -0.35 -0.03 0.00 2.52 0.00 0.00 27.41 29.55 1a5j h HIS 50 CO 0.00 0.82 -1.71 0.09 0.71 0.00 0.00 177.93 177.84 1a5j n ASN 51 N -4.32 2.24 -0.29 3.26 3.02 -1.16 -4.54 115.26 113.46 1a5j n ASN 51 Ca 0.08 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.83 1a5j n ASN 51 Cb 0.14 1.00 0.38 0.00 -0.61 0.00 0.00 39.78 40.69 1a5j n ASN 51 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1a5j n HIS 52 N -2.27 0.78 -1.54 3.10 -0.00 -1.22 -4.23 115.22 109.85 1a5j n HIS 52 Ca -0.14 1.05 -0.53 0.00 0.46 0.00 0.00 57.72 58.57 1a5j n HIS 52 Cb 0.71 -1.30 -0.07 0.00 -0.12 0.00 0.00 29.99 29.21 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 1a5j n LEU 53 N -5.14 2.31 -4.50 0.27 0.00 -1.23 -4.89 117.00 103.82 1a5j n LEU 53 Ca 0.27 0.66 -0.42 0.00 0.00 0.00 0.00 56.01 56.52 1a5j n LEU 53 Cb 0.90 -1.23 -0.09 0.00 0.00 0.00 0.00 43.42 43.00 1a5j n LEU 53 CO -0.03 -0.57 0.06 0.21 0.00 0.00 0.00 177.39 177.07 1a5j s ASN 54 N 5.89 6.18 0.00 1.96 2.47 -1.26 -5.06 114.94 125.12 1a5j s ASN 54 Ca 1.05 -0.57 0.00 0.00 0.42 0.00 0.00 52.86 53.76 1a5j s ASN 54 Cb -0.92 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 36.67 1a5j s ASN 54 CO 0.54 -0.49 0.00 -0.81 -3.72 0.00 0.00 177.10 172.62 1a5j n PRO 55 N 5.48 1.36 -0.29 0.43 -0.04 -1.26 -5.06 135.00 135.62 1a5j n PRO 55 Ca -0.08 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 1a5j n PRO 55 Cb 0.48 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.98 1a5j n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a5j n GLU 56 N 0.00 -0.72 0.26 0.54 1.02 -1.26 -4.89 120.64 115.58 1a5j n GLU 56 Ca 0.00 -0.36 0.17 0.00 -0.02 0.00 0.00 57.16 56.95 1a5j n GLU 56 Cb 0.00 -0.27 0.79 0.00 -0.02 0.00 0.00 31.44 31.94 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1a5j h VAL 57 N -1.39 0.00 0.00 2.62 2.07 -1.82 -3.38 116.25 114.35 1a5j h VAL 57 Ca -0.08 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a5j h VAL 57 Cb 0.23 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1a5j h VAL 57 CO 0.05 0.00 0.00 1.17 0.02 0.00 0.00 177.57 178.81 1a5j n LYS 58 N -2.84 0.00 -2.46 1.57 3.00 -1.26 -5.03 118.16 111.14 1a5j n LYS 58 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 1a5j n LYS 58 Cb 0.20 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.23 1a5j n LYS 58 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1a5j n LYS 59 N 0.00 -0.50 0.00 1.64 0.00 -1.26 -4.43 118.16 113.61 1a5j n LYS 59 Ca 0.00 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 1a5j n LYS 59 Cb 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 35.03 34.17 1a5j n LYS 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a5j n SER 60 N 1.03 0.00 0.00 -5.58 2.88 -1.26 -5.01 113.62 105.68 1a5j n SER 60 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1a5j n SER 60 Cb 0.38 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 1a5j n SER 60 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1a5j n SER 61 N 0.58 0.00 -3.80 -3.46 3.41 -1.26 -4.63 113.62 104.46 1a5j n SER 61 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1a5j n SER 61 Cb 0.00 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.00 0.06 0.00 7.33 0.52 -1.26 -5.01 118.94 120.58 1a5j s TRP 62 Ca 0.00 0.75 0.00 0.00 0.02 0.00 0.00 56.10 56.87 1a5j s TRP 62 Cb 0.00 -2.98 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 1a5j s TRP 62 CO 0.00 -4.60 0.00 0.25 0.02 0.00 0.00 176.95 172.62 1a5j n THR 63 N -5.38 0.00 0.00 2.01 -2.24 -1.26 -4.32 114.28 103.09 1a5j n THR 63 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1a5j n THR 63 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.33 -0.78 -0.58 -1.26 -2.50 120.64 115.19 1a5j n GLU 64 Ca 0.00 0.04 0.23 0.00 -0.42 0.00 0.00 57.16 57.01 1a5j n GLU 64 Cb 0.00 -0.59 0.47 0.00 -0.57 0.00 0.00 31.44 30.75 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 0.30 -0.68 3.49 5.08 -1.99 1.48 114.58 122.25 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 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1a5j h GLU 65 CO 0.00 0.20 0.44 0.93 -1.00 0.00 0.00 179.01 179.57 1a5j h GLU 66 N 0.31 0.91 0.23 2.33 5.08 -1.98 0.25 114.58 121.70 1a5j h GLU 66 Ca 0.73 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 59.01 1a5j h GLU 66 Cb 1.65 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.71 1a5j h GLU 66 CO -0.61 0.61 -0.11 0.22 -1.00 0.00 0.00 179.01 178.12 1a5j h ASP 67 N 0.93 -0.26 0.83 1.42 1.82 0.23 -2.73 116.42 118.68 1a5j h ASP 67 Ca 0.25 -0.12 -0.04 0.00 -0.39 0.00 0.00 57.03 56.72 1a5j h ASP 67 Cb -0.08 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.00 1a5j h ASP 67 CO -0.05 -0.02 -0.43 0.03 -1.61 0.00 0.00 179.24 177.15 1a5j h ARG 68 N -0.49 -1.12 -0.75 0.28 3.08 -0.94 -2.55 114.38 111.91 1a5j h ARG 68 Ca -0.03 0.08 0.20 0.00 0.07 0.00 0.00 59.98 60.29 1a5j h ARG 68 Cb 0.37 0.25 -0.14 0.00 0.08 0.00 0.00 29.97 30.53 1a5j h ARG 68 CO 0.05 -0.74 -0.02 -0.89 -1.07 0.00 0.00 179.97 177.30 1a5j n ILE 69 N -5.59 -0.31 0.16 2.04 5.41 0.84 0.19 119.36 122.10 1a5j n ILE 69 Ca -0.15 1.65 -0.08 0.00 1.00 0.00 0.00 62.75 65.17 1a5j n ILE 69 Cb 0.47 -2.39 -0.04 0.00 -0.71 0.00 0.00 39.64 36.97 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 -1.13 0.14 117.51 118.98 1a5j h ILE 70 Ca 0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.91 1a5j h ILE 70 Cb 0.87 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1a5j h ILE 70 CO -0.71 0.00 0.05 0.15 -0.69 0.00 0.00 178.15 176.95 1a5j h PHE 71 N -0.47 0.00 0.00 1.37 3.04 0.43 0.68 116.94 121.99 1a5j h PHE 71 Ca -0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1a5j h PHE 71 Cb 0.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.89 1a5j h PHE 71 CO -0.02 0.00 -0.61 1.05 -2.02 0.00 0.00 178.31 176.71 1a5j h GLU 72 N 0.00 0.00 0.00 1.11 -0.00 0.33 -3.22 114.58 112.79 1a5j h GLU 72 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.12 1a5j h GLU 72 Cb 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 28.75 28.80 1a5j h GLU 72 CO 0.00 0.00 -1.99 0.00 -0.00 0.00 0.00 179.01 177.02 1a5j n ALA 73 N -1.99 1.74 0.43 1.06 0.00 0.18 -4.28 120.51 117.64 1a5j n ALA 73 Ca 0.02 -0.92 0.11 0.00 0.00 0.00 0.00 53.44 52.66 1a5j n ALA 73 Cb 0.49 -0.11 0.47 0.00 0.00 0.00 0.00 19.45 20.30 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 -2.50 0.72 -0.56 0.00 -0.00 0.18 -1.33 115.22 111.73 1a5j n HIS 74 Ca -0.22 0.28 0.09 0.00 0.46 0.00 0.00 57.72 58.33 1a5j n HIS 74 Cb 0.92 -0.95 0.30 0.00 -0.12 0.00 0.00 29.99 30.15 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 -2.15 3.36 -0.00 1.57 2.85 -1.22 -3.63 118.16 118.95 1a5j n LYS 75 Ca 0.02 -2.70 -0.00 0.00 -1.05 0.00 0.00 58.31 54.58 1a5j n LYS 75 Cb 0.24 -1.73 -0.00 0.00 -0.65 0.00 0.00 35.03 32.88 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 0.84 0.03 0.00 0.58 0.31 -0.44 -4.98 118.33 114.67 1a5j n VAL 76 Ca 0.22 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1a5j n VAL 76 Cb 0.77 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 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 -2.52 0.00 0.00 7.52 4.32 -0.69 -5.12 117.00 120.51 1a5j n LEU 77 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1a5j n LEU 77 Cb 0.51 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1a5j n LEU 77 CO 0.01 -0.34 0.00 0.61 -1.22 0.00 0.00 177.39 176.45 1a5j n GLY 78 N 3.38 -0.47 1.39 -0.72 0.00 -1.24 -4.89 105.19 102.65 1a5j n GLY 78 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 3.35 -2.95 1.61 0.23 -1.26 -4.44 115.26 111.79 1a5j n ASN 79 Ca 0.00 -2.62 -0.19 0.00 -0.53 0.00 0.00 54.58 51.24 1a5j n ASN 79 Cb 0.00 -0.63 -0.04 0.00 -2.08 0.00 0.00 39.78 37.03 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 -0.00 1.95 -0.26 -3.83 3.00 -1.26 -4.50 116.66 111.75 1a5j n ARG 80 Ca 0.21 -1.29 0.15 0.00 -0.01 0.00 0.00 57.85 56.91 1a5j n ARG 80 Cb 0.90 -2.31 0.43 0.00 0.00 0.00 0.00 32.46 31.47 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 5.76 0.73 -0.07 -1.55 4.06 -1.91 1.44 115.95 124.40 1a5j h TRP 81 Ca 0.42 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.42 1a5j h TRP 81 Cb 0.34 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.27 1a5j h TRP 81 CO 1.84 0.23 0.12 0.00 -3.56 0.00 0.00 178.44 177.07 1a5j h ALA 82 N 1.61 1.48 0.00 1.49 0.00 -1.89 -0.15 119.26 121.80 1a5j h ALA 82 Ca 0.46 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 55.00 1a5j h ALA 82 Cb 0.89 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1a5j h ALA 82 CO -0.21 -0.16 -2.40 0.39 0.00 0.00 0.00 179.25 176.88 1a5j n GLU 83 N -3.53 0.70 0.07 0.00 -0.58 0.44 -3.75 120.64 113.98 1a5j n GLU 83 Ca -0.01 0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.69 1a5j n GLU 83 Cb 0.21 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.60 -0.80 -3.67 1.08 0.12 -1.65 117.51 113.20 1a5j h ILE 84 Ca -0.55 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.88 1a5j h ILE 84 Cb 2.05 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 36.36 1a5j h ILE 84 CO -0.03 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 177.79 1a5j h ALA 85 N 0.62 1.13 -0.96 1.87 0.00 -1.29 -1.15 119.26 119.47 1a5j h ALA 85 Ca 0.05 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.07 1a5j h ALA 85 Cb 0.35 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1a5j h ALA 85 CO -0.15 0.64 0.78 0.87 0.00 0.00 0.00 179.25 181.40 1a5j h LYS 86 N 1.14 0.00 0.11 0.00 1.57 -1.40 1.51 116.57 119.50 1a5j h LYS 86 Ca 0.27 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.77 1a5j h LYS 86 Cb 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1a5j h LYS 86 CO -0.03 0.00 -1.34 -0.07 -0.57 0.00 0.00 179.45 177.44 1a5j h LEU 87 N 0.00 0.36 -7.94 2.94 3.38 -0.75 -3.42 115.31 109.89 1a5j h LEU 87 Ca 0.46 -0.43 -0.68 0.00 0.09 0.00 0.00 57.88 57.31 1a5j h LEU 87 Cb 2.02 -0.12 -0.34 0.00 0.09 0.00 0.00 40.66 42.31 1a5j h LEU 87 CO -0.00 1.35 -0.65 -0.76 0.09 0.00 0.00 178.44 178.46 1a5j s LEU 88 N -7.02 4.42 0.00 1.67 1.02 0.52 -4.94 118.68 114.35 1a5j s LEU 88 Ca -0.05 -1.60 0.22 0.00 0.02 0.00 0.00 54.13 52.72 1a5j s LEU 88 Cb 0.07 -1.74 1.34 0.00 0.02 0.00 0.00 46.19 45.88 1a5j s LEU 88 CO 0.87 -0.36 1.73 -0.81 0.02 0.00 0.00 176.35 177.79 1a5j n PRO 89 N 4.58 0.75 0.01 1.29 -0.04 -1.22 -2.43 135.00 137.94 1a5j n PRO 89 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1a5j n PRO 89 Cb 0.43 -1.47 0.39 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.38 3.41 0.55 0.00 -1.26 -4.90 105.19 102.09 1a5j n GLY 90 Ca 0.17 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.02 1.30 0.09 1.61 1.81 -1.02 -5.11 118.95 114.61 1a5j s ARG 91 Ca 0.12 -1.24 0.01 0.00 -1.72 0.00 0.00 55.73 52.89 1a5j s ARG 91 Cb 0.17 0.40 0.01 0.00 -0.45 0.00 0.00 34.95 35.08 1a5j s ARG 91 CO 0.63 -0.50 0.05 0.25 -0.68 0.00 0.00 175.30 175.06 1a5j n THR 92 N -0.28 0.00 0.09 0.02 -2.24 -1.26 -4.71 114.28 105.89 1a5j n THR 92 Ca -0.04 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.32 1a5j n THR 92 Cb 0.63 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 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 0.13 -0.21 -1.73 3.42 2.03 -1.92 -1.27 116.42 116.88 1a5j h ASP 93 Ca -0.06 0.01 0.50 0.00 -0.73 0.00 0.00 57.03 56.75 1a5j h ASP 93 Cb 0.22 0.05 -0.07 0.00 -0.83 0.00 0.00 39.33 38.70 1a5j h ASP 93 CO 0.10 -0.11 1.28 -0.55 -1.03 0.00 0.00 179.24 178.94 1a5j h ASN 94 N -0.32 0.00 0.26 4.15 7.08 -1.98 0.60 115.58 125.37 1a5j h ASN 94 Ca -0.02 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.18 1a5j h ASN 94 Cb 0.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.43 1a5j h ASN 94 CO 0.04 0.00 -0.12 0.00 -2.08 0.00 0.00 177.43 175.27 1a5j h ALA 95 N 1.05 -0.64 0.15 4.14 0.00 -1.90 -2.20 119.26 119.86 1a5j h ALA 95 Ca 0.82 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.67 1a5j h ALA 95 Cb 3.38 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 21.27 1a5j h ALA 95 CO -0.01 -0.61 -0.36 0.28 0.00 0.00 0.00 179.25 178.55 1a5j h VAL 96 N -0.56 0.26 -0.08 0.00 2.07 0.78 1.24 116.25 119.96 1a5j h VAL 96 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1a5j h VAL 96 Cb 0.27 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1a5j h VAL 96 CO 0.06 0.00 -0.04 1.17 0.02 0.00 0.00 177.57 178.77 1a5j n LYS 97 N -5.44 -0.03 0.04 1.57 4.81 0.17 0.13 118.16 119.41 1a5j n LYS 97 Ca -0.07 1.03 -0.11 0.00 -0.87 0.00 0.00 58.31 58.29 1a5j n LYS 97 Cb 0.35 -1.54 -0.04 0.00 0.02 0.00 0.00 35.03 33.82 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 -0.51 -1.51 3.14 -0.73 -1.20 0.86 115.58 115.63 1a5j h ASN 98 Ca 0.01 0.08 0.44 0.00 1.87 0.00 0.00 56.30 58.70 1a5j h ASN 98 Cb 0.03 0.22 -0.07 0.00 0.27 0.00 0.00 38.32 38.77 1a5j h ASN 98 CO -0.07 -0.23 1.08 -0.74 -0.37 0.00 0.00 177.43 177.09 1a5j h HIS 99 N -0.27 0.07 0.43 0.67 2.76 0.34 1.51 115.15 120.67 1a5j h HIS 99 Ca 0.06 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1a5j h HIS 99 Cb 0.35 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1a5j h HIS 99 CO -0.24 -0.01 -0.22 2.35 -1.30 0.00 0.00 177.93 178.51 1a5j h TRP 100 N 0.02 -0.57 0.00 5.26 -0.00 0.36 -1.23 115.95 119.79 1a5j h TRP 100 Ca 0.74 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.62 1a5j h TRP 100 Cb 2.87 0.19 0.00 0.00 -0.00 0.00 0.00 29.16 32.22 1a5j h TRP 100 CO -0.00 -0.35 0.00 0.09 -0.00 0.00 0.00 178.44 178.18 1a5j n ASN 101 N -3.65 0.00 0.00 2.65 3.02 0.70 -0.55 115.26 117.43 1a5j n ASN 101 Ca -0.07 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 1a5j n ASN 101 Cb 0.24 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.16 0.00 -0.00 6.41 2.88 0.49 -4.57 113.62 117.66 1a5j n SER 102 Ca 0.13 0.33 0.02 0.00 -1.33 0.00 0.00 58.87 58.02 1a5j n SER 102 Cb 0.13 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.11 0.00 0.11 2.46 -1.04 -0.53 -4.54 114.28 109.62 1a5j n THR 103 Ca 0.00 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.05 61.67 1a5j n THR 103 Cb 0.00 0.74 0.09 0.00 -1.82 0.00 0.00 70.33 69.34 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 -1.34 1.76 -3.46 12.58 2.08 0.29 -4.66 119.36 126.61 1a5j n ILE 104 Ca 0.00 -0.75 -0.07 0.00 0.56 0.00 0.00 62.75 62.49 1a5j n ILE 104 Cb 0.09 -0.71 -0.08 0.00 -0.75 0.00 0.00 39.64 38.19 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 -1.44 0.36 -0.01 0.38 -0.14 -0.74 -4.63 119.74 113.52 1a5j s LYS 105 Ca 0.23 0.79 -0.04 0.00 -1.36 0.00 0.00 55.97 55.60 1a5j s LYS 105 Cb 0.19 -0.04 -0.02 0.00 -1.68 0.00 0.00 37.83 36.28 1a5j s LYS 105 CO 0.05 -0.48 0.42 0.00 -0.76 0.00 0.00 175.35 174.58 1a5j h ARG 106 N 8.16 -0.13 -4.81 1.68 3.08 -1.92 -3.37 114.38 117.07 1a5j h ARG 106 Ca -0.18 0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.33 1a5j h ARG 106 Cb 1.14 0.03 0.06 0.00 0.08 0.00 0.00 29.97 31.28 1a5j h ARG 106 CO 0.21 -0.09 1.71 1.17 -1.07 0.00 0.00 179.97 181.90 1a5j n LYS 107 N -2.87 1.00 0.09 0.04 4.81 -1.26 -2.85 118.16 117.11 1a5j n LYS 107 Ca -0.02 -1.69 0.00 0.00 -0.87 0.00 0.00 58.31 55.74 1a5j n LYS 107 Cb 0.05 -2.99 0.00 0.00 0.02 0.00 0.00 35.03 32.12 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 6.75 0.00 -3.65 3.15 0.31 -1.26 -5.07 118.33 118.56 1a5j n VAL 108 Ca 0.48 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.56 1a5j n VAL 108 Cb 0.42 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 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 -2.86 -4.46 0.00 4.52 2.03 -1.13 -5.17 116.55 109.48 1a5j n ASP 109 Ca 0.00 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.50 1a5j n ASP 109 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69