#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 0.07 0.73 -0.61 -5.25 -1.26 -5.11 121.20 109.77 1a5j s ILE 2 Ca 0.00 -1.08 -0.11 0.00 -0.99 0.00 0.00 60.65 58.47 1a5j s ILE 2 Cb 0.00 -1.59 0.03 0.00 2.95 0.00 0.00 42.46 43.85 1a5j s ILE 2 CO 0.00 -0.32 1.07 -2.16 -1.79 0.00 0.00 174.94 171.74 1a5j s PRO 3 N -3.90 2.64 -1.18 0.37 0.04 -1.26 -3.54 135.00 128.17 1a5j s PRO 3 Ca 0.11 0.84 -0.15 0.00 0.04 0.00 0.00 61.00 61.84 1a5j s PRO 3 Cb 0.02 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.75 1a5j s PRO 3 CO -0.04 -1.28 0.37 -3.47 0.04 0.00 0.00 177.00 172.61 1a5j n ASP 4 N -3.24 -1.13 -0.17 6.66 2.03 -1.21 -3.74 116.55 115.76 1a5j n ASP 4 Ca 0.07 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.60 1a5j n ASP 4 Cb 0.54 -1.00 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 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 -2.72 0.00 0.00 -2.67 4.77 -1.23 -4.60 117.00 110.54 1a5j n LEU 5 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1a5j n LEU 5 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1a5j n LEU 5 CO 0.60 -0.28 0.00 0.52 -1.33 0.00 0.00 177.39 176.90 1a5j n VAL 6 N -0.34 0.00 -1.86 4.08 0.31 -1.26 -3.26 118.33 115.99 1a5j n VAL 6 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.30 1a5j n VAL 6 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.00 -2.02 0.00 5.55 0.00 -1.26 -3.26 118.16 117.17 1a5j n LYS 7 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1a5j n LYS 7 Cb 0.00 -4.50 0.00 0.00 -0.00 0.00 0.00 35.03 30.53 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 -0.35 0.76 3.75 2.58 0.00 -1.26 -5.10 105.19 105.57 1a5j n GLY 8 Ca -0.04 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.56 4.64 0.66 1.61 0.04 -1.20 -4.87 135.00 135.32 1a5j s PRO 9 Ca 0.00 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1a5j s PRO 9 Cb 0.00 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.32 1a5j s PRO 9 CO 0.00 0.19 1.27 -1.58 0.04 0.00 0.00 177.00 176.92 1a5j s TRP 10 N -0.88 2.09 0.00 0.56 0.52 -1.25 -4.94 118.94 115.05 1a5j s TRP 10 Ca 0.46 1.52 0.00 0.00 0.02 0.00 0.00 56.10 58.09 1a5j s TRP 10 Cb -0.31 -3.63 0.00 0.00 -1.15 0.00 0.00 33.47 28.38 1a5j s TRP 10 CO 0.39 -2.80 0.00 0.25 0.02 0.00 0.00 176.95 174.81 1a5j n THR 11 N -2.07 0.00 -0.36 2.01 -2.24 -1.26 -4.57 114.28 105.79 1a5j n THR 11 Ca 0.15 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 1a5j n THR 11 Cb 0.49 0.00 0.04 0.00 -2.10 0.00 0.00 70.33 68.76 1a5j n THR 11 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a5j n LYS 12 N 0.00 -0.21 0.00 -0.78 4.81 -1.26 0.95 118.16 121.67 1a5j n LYS 12 Ca 0.00 1.44 0.00 0.00 -0.87 0.00 0.00 58.31 58.88 1a5j n LYS 12 Cb 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1a5j n LYS 12 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1a5j n GLU 13 N -5.39 0.00 -0.35 1.64 0.00 -1.26 0.24 120.64 115.52 1a5j n GLU 13 Ca 0.10 0.75 0.13 0.00 0.00 0.00 0.00 57.16 58.14 1a5j n GLU 13 Cb 0.38 -1.36 0.33 0.00 0.00 0.00 0.00 31.44 30.79 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 0.68 0.00 5.31 4.39 -1.55 1.05 114.58 124.46 1a5j h GLU 14 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1a5j h GLU 14 Cb 0.00 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1a5j h GLU 14 CO 0.00 0.45 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.71 1a5j h ASP 15 N 0.70 0.00 0.31 1.42 3.32 0.24 -0.75 116.42 121.66 1a5j h ASP 15 Ca 0.58 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.59 1a5j h ASP 15 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1a5j h ASP 15 CO -0.41 0.15 -0.23 0.06 -1.72 0.00 0.00 179.24 177.09 1a5j h GLN 16 N 0.00 0.00 -0.15 3.56 -0.00 1.16 -2.55 115.11 117.12 1a5j h GLN 16 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1a5j h GLN 16 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.77 1a5j h GLN 16 CO 0.02 0.23 -0.09 -0.22 -0.00 0.00 0.00 178.83 178.77 1a5j h LYS 17 N 0.00 0.32 -0.65 0.06 3.64 -0.87 -2.51 116.57 116.57 1a5j h LYS 17 Ca -0.00 -0.15 0.11 0.00 -1.27 0.00 0.00 60.65 59.34 1a5j h LYS 17 Cb 0.45 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.18 1a5j h LYS 17 CO 0.03 0.66 0.22 0.28 -2.27 0.00 0.00 179.45 178.37 1a5j h VAL 18 N -0.02 0.71 -0.93 2.00 2.07 -1.39 0.27 116.25 118.96 1a5j h VAL 18 Ca 0.03 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1a5j h VAL 18 Cb 0.57 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1a5j h VAL 18 CO 0.02 0.07 0.59 0.40 0.02 0.00 0.00 177.57 178.68 1a5j h ILE 19 N 0.39 1.07 0.00 4.57 5.03 -1.37 0.38 117.51 127.57 1a5j h ILE 19 Ca 0.34 -0.37 -0.05 0.00 -0.12 0.00 0.00 64.86 64.65 1a5j h ILE 19 Cb 0.46 -0.11 -0.01 0.00 -3.03 0.00 0.00 36.82 34.14 1a5j h ILE 19 CO -0.35 0.20 -0.25 -0.08 -0.68 0.00 0.00 178.15 176.98 1a5j h GLU 20 N 1.08 0.00 0.13 2.37 4.81 -0.20 -1.90 114.58 120.87 1a5j h GLU 20 Ca 0.40 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1a5j h GLU 20 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1a5j h GLU 20 CO -0.17 0.25 -0.06 -0.07 -0.73 0.00 0.00 179.01 178.23 1a5j h LEU 21 N 0.00 -0.15 -1.92 1.64 3.38 0.23 -2.76 115.31 115.73 1a5j h LEU 21 Ca -0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1a5j h LEU 21 Cb 0.67 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1a5j h LEU 21 CO 0.03 0.33 0.42 0.58 0.09 0.00 0.00 178.44 179.89 1a5j h VAL 22 N -1.04 0.19 0.26 1.22 2.07 -0.41 0.44 116.25 118.99 1a5j h VAL 22 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1a5j h VAL 22 Cb 0.13 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1a5j h VAL 22 CO 0.03 0.00 -0.13 0.11 0.02 0.00 0.00 177.57 177.60 1a5j h LYS 23 N 0.00 -0.34 0.00 1.57 1.57 -1.36 1.65 116.57 119.66 1a5j h LYS 23 Ca 0.11 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1a5j h LYS 23 Cb 0.96 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.34 1a5j h LYS 23 CO -0.00 0.00 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.55 1a5j h LYS 24 N -0.92 0.00 0.00 3.15 3.11 -0.60 -3.16 116.57 118.15 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 0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.73 1a5j h LYS 24 CO 0.06 0.12 -0.26 1.88 -2.81 0.00 0.00 179.45 178.43 1a5j h TYR 25 N 0.00 0.00 -3.51 1.91 -1.99 -0.18 -3.50 116.97 109.70 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 0.36 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1a5j h TYR 25 CO 0.00 0.18 -0.08 0.41 -0.00 0.00 0.00 178.16 178.67 1a5j n GLY 26 N 1.68 0.00 0.00 3.88 0.00 0.56 -4.80 105.19 106.52 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 1.73 0.00 0.00 2.61 5.66 -1.26 -5.01 114.28 118.01 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 0.04 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 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 -3.76 1.09 4.76 -1.26 -5.10 118.16 113.88 1a5j n LYS 28 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1a5j n LYS 28 Cb 0.00 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.09 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1a5j s GLN 29 N 0.00 2.60 0.00 1.97 1.11 -1.26 -4.82 119.66 119.26 1a5j s GLN 29 Ca 0.00 -2.80 0.24 0.00 0.01 0.00 0.00 55.36 52.81 1a5j s GLN 29 Cb 0.00 -3.67 0.36 0.00 -1.01 0.00 0.00 33.01 28.69 1a5j s GLN 29 CO 0.00 -1.19 1.31 0.91 0.01 0.00 0.00 175.29 176.33 1a5j n TRP 30 N 3.00 0.00 -0.21 0.91 7.02 -1.26 -4.02 117.44 122.88 1a5j n TRP 30 Ca 0.12 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.51 1a5j n TRP 30 Cb 0.36 -0.12 0.02 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 0.79 1.26 -0.43 -0.99 1.03 -1.97 -2.33 112.91 110.28 1a5j h THR 31 Ca 0.00 -1.09 0.08 0.00 -0.01 0.00 0.00 66.41 65.39 1a5j h THR 31 Cb 0.54 0.80 -0.07 0.00 -1.07 0.00 0.00 68.15 68.35 1a5j h THR 31 CO 0.00 0.40 0.00 0.17 -0.01 0.00 0.00 175.52 176.08 1a5j h LEU 32 N 0.93 -0.17 0.27 0.00 8.10 -1.96 1.78 115.31 124.24 1a5j h LEU 32 Ca 0.17 0.10 -0.00 0.00 0.11 0.00 0.00 57.88 58.26 1a5j h LEU 32 Cb 0.51 0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 1a5j h LEU 32 CO 0.02 -0.05 -0.22 0.40 -4.11 0.00 0.00 178.44 174.49 1a5j h ILE 33 N 0.12 0.54 0.00 0.15 5.03 -1.74 2.45 117.51 124.06 1a5j h ILE 33 Ca 0.22 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.96 1a5j h ILE 33 Cb 0.31 0.54 0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1a5j h ILE 33 CO -0.35 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.12 1a5j n ALA 34 N -2.44 1.90 -0.11 1.87 0.00 -0.70 0.75 120.51 121.77 1a5j n ALA 34 Ca -0.09 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.13 1a5j n ALA 34 Cb 0.25 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.30 1a5j n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a5j n LYS 35 N -1.27 0.67 -0.05 0.00 4.81 0.60 -4.20 118.16 118.72 1a5j n LYS 35 Ca 0.08 0.08 -0.19 0.00 -0.87 0.00 0.00 58.31 57.42 1a5j n LYS 35 Cb 0.12 -1.53 -0.13 0.00 0.02 0.00 0.00 35.03 33.52 1a5j n LYS 35 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a5j h HIS 36 N 0.00 0.15 -3.43 5.64 3.86 0.47 -3.40 115.15 118.44 1a5j h HIS 36 Ca -0.56 -0.11 -0.75 0.00 -1.16 0.00 0.00 60.37 57.79 1a5j h HIS 36 Cb 2.05 -0.01 -0.32 0.00 1.06 0.00 0.00 27.41 30.20 1a5j h HIS 36 CO 0.02 1.30 0.16 -0.51 0.86 0.00 0.00 177.93 179.76 1a5j s LEU 37 N -7.94 5.92 0.00 2.43 1.43 0.23 -4.93 118.68 115.82 1a5j s LEU 37 Ca -0.22 -3.67 0.00 0.00 -1.03 0.00 0.00 54.13 49.21 1a5j s LEU 37 Cb 0.02 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1a5j s LEU 37 CO 0.69 -0.23 0.00 2.29 0.23 0.00 0.00 176.35 179.33 1a5j n LYS 38 N 2.49 -0.05 0.00 1.70 -0.00 -1.26 -4.41 118.16 116.64 1a5j n LYS 38 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1a5j n LYS 38 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.41 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 3.54 3.05 3.08 2.58 0.00 -1.26 -3.33 105.19 112.84 1a5j n GLY 39 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.52 0.58 0.60 1.61 0.52 -1.26 -4.40 118.95 116.07 1a5j s ARG 40 Ca 0.00 -0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 54.17 1a5j s ARG 40 Cb 0.00 -0.13 0.14 0.00 0.52 0.00 0.00 34.95 35.48 1a5j s ARG 40 CO 0.00 -0.01 0.71 1.28 0.02 0.00 0.00 175.30 177.30 1a5j n LEU 41 N 0.92 0.00 -1.28 2.53 7.99 -1.26 -4.92 117.00 120.98 1a5j n LEU 41 Ca -0.19 -0.77 -0.04 0.00 -0.01 0.00 0.00 56.01 55.00 1a5j n LEU 41 Cb 0.57 -0.57 0.12 0.00 -0.11 0.00 0.00 43.42 43.43 1a5j n LEU 41 CO 0.24 -1.23 0.66 0.61 -1.51 0.00 0.00 177.39 176.17 1a5j n GLY 42 N -0.42 2.56 0.09 -0.72 0.00 -1.26 -4.01 105.19 101.42 1a5j n GLY 42 Ca 0.09 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1a5j n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a5j h LYS 43 N 1.00 0.00 -1.75 1.61 6.56 -2.01 -3.38 116.57 118.59 1a5j h LYS 43 Ca 0.13 0.00 -0.73 0.00 -1.06 0.00 0.00 60.65 58.99 1a5j h LYS 43 Cb 1.43 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 32.80 1a5j h LYS 43 CO 0.33 0.66 0.77 1.04 -2.06 0.00 0.00 179.45 180.19 1a5j n GLN 44 N -4.54 2.85 0.08 3.15 3.00 -1.26 -4.54 117.38 116.12 1a5j n GLN 44 Ca -0.19 -3.62 -0.22 0.00 -0.01 0.00 0.00 57.00 52.95 1a5j n GLN 44 Cb 0.48 -2.27 -0.15 0.00 0.00 0.00 0.00 30.24 28.30 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a5j n ARG 46 N -3.92 3.50 -1.14 0.00 3.00 -1.26 -4.96 116.66 111.87 1a5j n ARG 46 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.67 1a5j n ARG 46 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.41 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1a5j n GLU 47 N 0.00 0.00 0.00 5.56 2.13 -1.26 -4.99 120.64 122.08 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 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 30.55 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 -1.08 0.00 0.01 5.31 3.00 -1.26 -4.82 116.66 117.81 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 0.37 0.00 0.19 0.00 0.00 0.00 0.00 32.46 33.02 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 -1.73 0.06 -0.10 -0.14 2.14 -1.26 -3.82 117.44 112.59 1a5j n TRP 49 Ca 0.00 0.02 -0.13 0.00 2.07 0.00 0.00 57.50 59.46 1a5j n TRP 49 Cb 0.00 -0.27 -0.15 0.00 -0.81 0.00 0.00 31.31 30.09 1a5j n TRP 49 CO 0.00 0.00 0.00 1.58 2.07 0.00 0.00 177.69 181.34 1a5j n HIS 50 N -1.57 0.14 -2.92 -2.67 -0.00 -1.26 -4.52 115.22 102.42 1a5j n HIS 50 Ca 0.05 0.04 -0.35 0.00 0.46 0.00 0.00 57.72 57.92 1a5j n HIS 50 Cb 0.35 -1.02 -0.02 0.00 -0.12 0.00 0.00 29.99 29.18 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 -2.95 5.77 0.00 0.26 5.03 -1.25 -4.70 115.26 117.42 1a5j n ASN 51 Ca -0.35 -3.60 0.00 0.00 0.87 0.00 0.00 54.58 51.50 1a5j n ASN 51 Cb 1.10 -0.92 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1a5j n HIS 52 N 0.27 0.00 -3.09 3.10 8.25 -1.25 -4.47 115.22 118.03 1a5j n HIS 52 Ca 0.36 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.71 1a5j n HIS 52 Cb 0.34 0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.50 1a5j n HIS 52 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a5j n LEU 53 N -1.14 -6.36 -3.08 2.41 4.32 -1.26 -5.00 117.00 106.89 1a5j n LEU 53 Ca 0.00 0.10 -0.19 0.00 -0.02 0.00 0.00 56.01 55.90 1a5j n LEU 53 Cb 0.00 -3.00 -0.04 0.00 -1.62 0.00 0.00 43.42 38.76 1a5j n LEU 53 CO 0.00 -1.40 -0.15 -3.20 -1.22 0.00 0.00 177.39 171.43 1a5j n ASN 54 N -1.03 -1.02 -3.25 -1.43 2.85 -1.26 -5.13 115.26 104.99 1a5j n ASN 54 Ca 0.01 -2.80 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 1a5j n ASN 54 Cb 0.52 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.73 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1a5j n PRO 55 N 1.87 1.44 -1.93 1.20 -0.04 -1.26 -5.12 135.00 131.16 1a5j n PRO 55 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1a5j n PRO 55 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.17 -0.57 0.54 2.13 -1.26 -5.02 120.64 116.63 1a5j n GLU 56 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1a5j n GLU 56 Cb 0.00 0.00 0.21 0.00 0.27 0.00 0.00 31.44 31.92 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 1.76 -2.62 6.31 0.31 -1.26 -4.86 118.33 117.97 1a5j n VAL 57 Ca 0.00 -0.88 -0.09 0.00 -0.01 0.00 0.00 64.34 63.36 1a5j n VAL 57 Cb 0.00 -0.44 0.04 0.00 -0.91 0.00 0.00 33.84 32.54 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 0.20 -1.78 0.00 5.55 4.01 -1.26 -4.60 118.16 120.28 1a5j n LYS 58 Ca 0.20 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.53 1a5j n LYS 58 Cb 0.89 -4.22 0.00 0.00 -0.51 0.00 0.00 35.03 31.19 1a5j n LYS 58 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1a5j n LYS 59 N -2.61 0.00 -0.69 1.97 -0.00 -1.26 -4.34 118.16 111.23 1a5j n LYS 59 Ca -0.06 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.93 1a5j n LYS 59 Cb 0.58 0.00 0.17 0.00 -0.00 0.00 0.00 35.03 35.77 1a5j n LYS 59 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1a5j n SER 60 N 0.91 -2.12 0.00 -5.58 3.41 -1.26 -4.71 113.62 104.27 1a5j n SER 60 Ca 0.00 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1a5j n SER 60 Cb 0.00 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 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 -2.01 0.00 -3.80 4.04 7.64 -1.26 -4.89 113.62 113.34 1a5j n SER 61 Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.61 1a5j n SER 61 Cb 0.58 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.05 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 0.16 0.00 1.43 0.52 -1.26 -5.07 118.94 114.72 1a5j s TRP 62 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 56.10 56.81 1a5j s TRP 62 Cb 0.00 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1a5j s TRP 62 CO 0.00 -4.42 0.00 0.25 0.02 0.00 0.00 176.95 172.80 1a5j n THR 63 N -5.23 0.00 0.00 2.01 -2.24 -1.26 -4.76 114.28 102.80 1a5j n THR 63 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 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 -0.22 -0.78 -0.58 -1.26 -2.74 120.64 115.06 1a5j n GLU 64 Ca 0.00 0.00 0.31 0.00 -0.42 0.00 0.00 57.16 57.05 1a5j n GLU 64 Cb 0.00 -0.32 0.61 0.00 -0.57 0.00 0.00 31.44 31.17 1a5j n GLU 64 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1a5j h GLU 65 N 0.00 0.00 -0.19 3.49 4.11 -2.00 1.52 114.58 121.52 1a5j h GLU 65 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 1a5j h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a5j h GLU 65 CO 0.00 0.00 -0.45 0.93 0.07 0.00 0.00 179.01 179.56 1a5j h GLU 66 N 0.00 0.63 -0.20 1.06 5.08 -1.98 -1.54 114.58 117.63 1a5j h GLU 66 Ca 0.49 -0.43 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1a5j h GLU 66 Cb 2.51 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 31.81 1a5j h GLU 66 CO -0.01 1.05 -0.02 0.22 -1.00 0.00 0.00 179.01 179.25 1a5j h ASP 67 N 0.31 0.37 0.40 1.42 3.58 0.23 -2.86 116.42 119.88 1a5j h ASP 67 Ca -0.00 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 1a5j h ASP 67 Cb 1.06 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1a5j h ASP 67 CO 0.10 0.62 -0.34 0.03 -2.88 0.00 0.00 179.24 176.77 1a5j h ARG 68 N 0.12 -0.70 -0.16 0.28 2.47 -1.16 0.42 114.38 115.66 1a5j h ARG 68 Ca 0.05 0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.84 1a5j h ARG 68 Cb 0.45 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.90 1a5j h ARG 68 CO 0.02 -0.46 -0.09 -0.89 0.56 0.00 0.00 179.97 179.10 1a5j n ILE 69 N -4.45 -0.11 -0.23 2.04 5.41 -0.58 0.20 119.36 121.65 1a5j n ILE 69 Ca -0.09 1.43 0.03 0.00 1.00 0.00 0.00 62.75 65.12 1a5j n ILE 69 Cb 0.32 -1.86 0.14 0.00 -0.71 0.00 0.00 39.64 37.53 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 0.52 0.00 1.39 2.04 -1.45 2.26 117.51 122.28 1a5j h ILE 70 Ca 0.03 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1a5j h ILE 70 Cb 0.06 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1a5j h ILE 70 CO -0.15 0.04 0.00 0.33 0.00 0.00 0.00 178.15 178.37 1a5j n PHE 71 N -5.20 0.80 -1.50 1.37 -0.00 0.28 -1.40 117.46 111.83 1a5j n PHE 71 Ca 0.11 0.38 0.06 0.00 -0.00 0.00 0.00 57.45 58.00 1a5j n PHE 71 Cb 0.40 -1.11 0.09 0.00 -0.00 0.00 0.00 39.48 38.87 1a5j n PHE 71 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.76 175.91 1a5j n GLU 72 N -2.29 0.82 0.00 -4.13 0.28 0.54 -4.63 120.64 111.23 1a5j n GLU 72 Ca -0.00 -2.10 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 1a5j n GLU 72 Cb 0.11 -1.10 0.00 0.00 1.43 0.00 0.00 31.44 31.87 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a5j n ALA 73 N -0.84 1.84 0.06 -1.84 0.00 0.65 -4.49 120.51 115.90 1a5j n ALA 73 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1a5j n ALA 73 Cb 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.18 0.94 -0.43 0.00 -0.00 -0.83 -2.95 115.22 110.77 1a5j n HIS 74 Ca 0.00 0.30 0.09 0.00 0.46 0.00 0.00 57.72 58.57 1a5j n HIS 74 Cb 0.00 -1.02 0.34 0.00 -0.12 0.00 0.00 29.99 29.18 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 -2.78 3.40 -0.01 1.57 2.85 -1.26 -3.23 118.16 118.70 1a5j n LYS 75 Ca -0.06 -2.68 -0.01 0.00 -1.05 0.00 0.00 58.31 54.51 1a5j n LYS 75 Cb 0.72 -1.80 -0.01 0.00 -0.65 0.00 0.00 35.03 33.29 1a5j n LYS 75 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1a5j n VAL 76 N 1.17 0.09 0.00 0.58 0.31 -1.24 -4.98 118.33 114.26 1a5j n VAL 76 Ca 0.24 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1a5j n VAL 76 Cb 0.80 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 -2.22 0.00 0.00 7.52 4.32 -1.15 -5.10 117.00 120.37 1a5j n LEU 77 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1a5j n LEU 77 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1a5j n LEU 77 CO 0.02 -0.16 0.00 0.61 -1.22 0.00 0.00 177.39 176.64 1a5j n GLY 78 N 3.61 -0.75 1.95 -0.72 0.00 -1.20 -4.94 105.19 103.15 1a5j n GLY 78 Ca 0.00 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 3.87 -2.09 1.61 0.23 -1.26 -4.40 115.26 113.22 1a5j n ASN 79 Ca 0.00 -3.23 -0.08 0.00 -0.53 0.00 0.00 54.58 50.74 1a5j n ASN 79 Cb 0.00 -0.76 -0.11 0.00 -2.08 0.00 0.00 39.78 36.83 1a5j n ASN 79 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1a5j n ARG 80 N -0.61 1.37 -0.49 -3.83 1.85 -1.26 -4.51 116.66 109.18 1a5j n ARG 80 Ca 0.45 -0.65 0.40 0.00 -1.00 0.00 0.00 57.85 57.05 1a5j n ARG 80 Cb 1.40 -1.79 0.69 0.00 -1.05 0.00 0.00 32.46 31.71 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 -0.01 0.00 0.00 177.63 176.13 1a5j h TRP 81 N 3.64 0.42 0.00 2.89 4.06 -1.92 3.21 115.95 128.24 1a5j h TRP 81 Ca 0.12 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1a5j h TRP 81 Cb 1.06 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.12 1a5j h TRP 81 CO 1.44 -0.18 0.54 0.00 -3.56 0.00 0.00 178.44 176.68 1a5j h ALA 82 N 1.50 1.52 0.00 1.49 0.00 -1.79 -0.22 119.26 121.76 1a5j h ALA 82 Ca 0.84 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.59 1a5j h ALA 82 Cb 2.81 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.58 1a5j h ALA 82 CO -0.35 -0.52 -1.58 0.39 0.00 0.00 0.00 179.25 177.19 1a5j n GLU 83 N -2.67 0.23 -0.43 0.00 -0.58 1.06 -4.14 120.64 114.11 1a5j n GLU 83 Ca -0.01 0.09 0.36 0.00 -0.42 0.00 0.00 57.16 57.17 1a5j n GLU 83 Cb 0.57 -0.96 0.64 0.00 -0.57 0.00 0.00 31.44 31.12 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 -0.28 0.15 0.04 -3.67 1.08 -0.47 1.19 117.51 115.56 1a5j h ILE 84 Ca -0.25 -0.04 -0.12 0.00 -0.39 0.00 0.00 64.86 64.05 1a5j h ILE 84 Cb 1.26 0.04 0.01 0.00 -3.07 0.00 0.00 36.82 35.06 1a5j h ILE 84 CO -0.13 0.02 -0.51 0.00 -0.69 0.00 0.00 178.15 176.84 1a5j h ALA 85 N 1.60 0.01 -0.36 1.87 0.00 -1.30 -3.11 119.26 117.96 1a5j h ALA 85 Ca 0.80 -0.57 0.11 0.00 0.00 0.00 0.00 54.91 55.24 1a5j h ALA 85 Cb 2.48 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1a5j h ALA 85 CO -0.41 0.25 0.60 0.87 0.00 0.00 0.00 179.25 180.56 1a5j h LYS 86 N -0.38 0.00 -0.02 0.00 1.57 0.12 1.32 116.57 119.19 1a5j h LYS 86 Ca -0.08 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.45 1a5j h LYS 86 Cb 1.30 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.63 1a5j h LYS 86 CO 0.10 0.00 -0.99 -0.07 -0.57 0.00 0.00 179.45 177.92 1a5j h LEU 87 N 0.00 0.86 -8.65 2.94 3.38 -0.98 -3.42 115.31 109.45 1a5j h LEU 87 Ca 0.17 -0.67 -0.66 0.00 0.09 0.00 0.00 57.88 56.81 1a5j h LEU 87 Cb 1.37 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.64 1a5j h LEU 87 CO -0.00 1.47 -0.58 -0.76 0.09 0.00 0.00 178.44 178.66 1a5j s LEU 88 N -8.10 3.81 -0.49 1.67 1.43 0.45 -5.04 118.68 112.41 1a5j s LEU 88 Ca -0.09 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.42 1a5j s LEU 88 Cb 0.07 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1a5j s LEU 88 CO 0.91 -0.10 1.46 -2.16 0.23 0.00 0.00 176.35 176.69 1a5j s PRO 89 N 1.64 3.37 0.00 1.29 0.04 -1.26 -3.07 135.00 137.01 1a5j s PRO 89 Ca 0.06 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1a5j s PRO 89 Cb -0.16 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1a5j s PRO 89 CO 0.06 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.68 1a5j n GLY 90 N 5.22 0.91 3.74 0.56 0.00 -1.26 -5.14 105.19 109.23 1a5j n GLY 90 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 2.52 -0.05 1.61 1.81 -1.18 -5.06 118.95 118.60 1a5j s ARG 91 Ca 0.00 -1.37 -0.06 0.00 -1.72 0.00 0.00 55.73 52.58 1a5j s ARG 91 Cb 0.00 -2.30 -0.03 0.00 -0.45 0.00 0.00 34.95 32.17 1a5j s ARG 91 CO 0.00 0.24 -0.13 0.25 -0.68 0.00 0.00 175.30 174.98 1a5j n THR 92 N -1.11 1.02 0.01 0.02 -2.24 -1.26 -4.55 114.28 106.17 1a5j n THR 92 Ca -0.05 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1a5j n THR 92 Cb 0.60 -1.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 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 -3.70 -0.21 -0.42 3.42 5.75 -1.26 -4.46 116.55 115.66 1a5j n ASP 93 Ca -0.12 0.30 0.40 0.00 -0.01 0.00 0.00 54.79 55.36 1a5j n ASP 93 Cb 0.38 0.47 0.74 0.00 -1.03 0.00 0.00 41.12 41.68 1a5j n ASP 93 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a5j h ASN 94 N 0.00 0.00 0.27 -1.12 7.08 -1.98 0.60 115.58 120.43 1a5j h ASN 94 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 1a5j h ASN 94 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1a5j h ASN 94 CO 0.00 0.00 -0.13 0.00 -2.08 0.00 0.00 177.43 175.22 1a5j h ALA 95 N 1.16 -0.79 0.31 4.14 0.00 -1.98 -1.76 119.26 120.34 1a5j h ALA 95 Ca 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1a5j h ALA 95 Cb 2.82 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 20.73 1a5j h ALA 95 CO -0.01 -0.76 -0.31 0.28 0.00 0.00 0.00 179.25 178.45 1a5j h VAL 96 N -0.49 0.35 -0.30 0.00 2.07 -1.18 0.46 116.25 117.15 1a5j h VAL 96 Ca -0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 96 Cb 0.28 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1a5j h VAL 96 CO 0.06 0.00 -0.18 1.17 0.02 0.00 0.00 177.57 178.64 1a5j n LYS 97 N -5.43 -0.13 0.06 1.57 4.81 0.18 0.42 118.16 119.64 1a5j n LYS 97 Ca -0.09 1.09 -0.11 0.00 -0.87 0.00 0.00 58.31 58.33 1a5j n LYS 97 Cb 0.33 -1.63 -0.05 0.00 0.02 0.00 0.00 35.03 33.71 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 -0.72 -1.21 3.14 -0.73 -1.16 0.19 115.58 115.09 1a5j h ASN 98 Ca 0.05 0.10 0.35 0.00 1.87 0.00 0.00 56.30 58.67 1a5j h ASN 98 Cb 0.12 0.29 -0.05 0.00 0.27 0.00 0.00 38.32 38.96 1a5j h ASN 98 CO -0.28 -0.31 1.09 -0.74 -0.37 0.00 0.00 177.43 176.82 1a5j h HIS 99 N -0.39 0.00 0.38 0.67 2.76 0.24 1.57 115.15 120.39 1a5j h HIS 99 Ca 0.06 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1a5j h HIS 99 Cb 0.46 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1a5j h HIS 99 CO -0.28 0.00 -0.18 2.35 -1.30 0.00 0.00 177.93 178.52 1a5j h TRP 100 N 0.00 -0.47 0.00 5.26 -0.00 0.32 -1.56 115.95 119.50 1a5j h TRP 100 Ca 0.58 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.45 1a5j h TRP 100 Cb 2.76 0.16 0.00 0.00 -0.00 0.00 0.00 29.16 32.07 1a5j h TRP 100 CO 0.00 -0.29 0.00 0.09 -0.00 0.00 0.00 178.44 178.24 1a5j n ASN 101 N -3.53 0.00 0.00 2.65 3.02 0.11 -0.71 115.26 116.80 1a5j n ASN 101 Ca -0.06 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 1a5j n ASN 101 Cb 0.20 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.10 0.00 -0.00 6.41 2.88 0.50 -4.58 113.62 117.73 1a5j n SER 102 Ca 0.16 0.33 0.03 0.00 -1.33 0.00 0.00 58.87 58.06 1a5j n SER 102 Cb 0.12 -0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.29 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 -1.26 0.00 0.26 2.46 -1.04 -0.65 -4.53 114.28 109.52 1a5j n THR 103 Ca 0.00 -0.20 -0.07 0.00 -2.04 0.00 0.00 64.05 61.75 1a5j n THR 103 Cb 0.00 0.55 0.07 0.00 -1.82 0.00 0.00 70.33 69.13 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 -1.53 1.65 -2.96 12.58 2.08 0.11 -4.27 119.36 127.03 1a5j n ILE 104 Ca -0.00 -0.63 -0.12 0.00 0.56 0.00 0.00 62.75 62.55 1a5j n ILE 104 Cb 0.13 -0.77 -0.02 0.00 -0.75 0.00 0.00 39.64 38.23 1a5j n ILE 104 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1a5j n LYS 105 N -0.03 0.49 -0.24 0.38 4.76 -0.73 -4.62 118.16 118.17 1a5j n LYS 105 Ca 0.19 -2.39 -0.08 0.00 -2.87 0.00 0.00 58.31 53.17 1a5j n LYS 105 Cb 0.86 -1.51 0.04 0.00 -1.84 0.00 0.00 35.03 32.58 1a5j n LYS 105 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1a5j h ARG 106 N 4.97 1.07 -3.86 1.97 0.11 -1.91 -3.27 114.38 113.46 1a5j h ARG 106 Ca 0.09 -0.26 -0.72 0.00 0.10 0.00 0.00 59.98 59.19 1a5j h ARG 106 Cb 1.03 -0.14 -0.08 0.00 1.11 0.00 0.00 29.97 31.89 1a5j h ARG 106 CO 0.18 0.95 2.78 1.17 0.10 0.00 0.00 179.97 185.15 1a5j n LYS 107 N -4.29 3.10 0.00 0.08 4.81 -1.26 -3.63 118.16 116.97 1a5j n LYS 107 Ca 0.04 -2.90 0.00 0.00 -0.87 0.00 0.00 58.31 54.58 1a5j n LYS 107 Cb 0.25 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 32.13 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 4.55 0.00 -2.97 3.15 0.31 -1.23 -5.04 118.33 117.10 1a5j n VAL 108 Ca 0.48 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.71 1a5j n VAL 108 Cb 0.38 -0.13 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1a5j s ASP 109 N -2.67 -0.66 0.00 4.52 -1.08 -1.24 -5.22 116.67 110.32 1a5j s ASP 109 Ca 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 1a5j s ASP 109 Cb 0.00 1.30 0.00 0.00 -1.46 0.00 0.00 42.92 42.76 1a5j s ASP 109 CO 0.00 -0.10 0.00 1.07 0.52 0.00 0.00 175.17 176.66