#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5j n ILE 2 N 0.00 0.25 1.50 -0.61 -5.35 -1.26 -4.89 119.36 108.99 1a5j n ILE 2 Ca 0.00 -4.65 0.11 0.00 -0.27 0.00 0.00 62.75 57.94 1a5j n ILE 2 Cb 0.00 -0.73 0.63 0.00 -1.74 0.00 0.00 39.64 37.80 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1a5j n PRO 3 N 0.41 0.75 -2.05 6.28 -0.04 -1.26 -2.81 135.00 136.28 1a5j n PRO 3 Ca 0.25 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.46 1a5j n PRO 3 Cb 0.60 -1.44 0.02 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.94 5.03 -2.83 3.54 2.03 -1.26 -5.02 116.55 117.11 1a5j n ASP 4 Ca 0.16 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.72 1a5j n ASP 4 Cb 0.07 -0.39 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 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 -0.69 -3.75 0.00 -2.67 4.77 -1.12 -5.00 117.00 108.54 1a5j n LEU 5 Ca 0.44 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 57.06 1a5j n LEU 5 Cb 0.91 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 1a5j n LEU 5 CO 0.41 -1.97 0.00 0.52 -1.33 0.00 0.00 177.39 175.02 1a5j n VAL 6 N 1.86 0.00 -2.15 4.08 0.31 -1.26 -4.33 118.33 116.84 1a5j n VAL 6 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a5j n VAL 6 Cb 0.20 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 -2.57 0.00 5.55 4.76 -1.26 -3.11 118.16 121.52 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a5j n LYS 7 Cb 0.00 -4.11 0.00 0.00 -1.84 0.00 0.00 35.03 29.08 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a5j n GLY 8 N -0.40 0.78 0.00 0.72 0.00 -1.26 -5.15 105.19 99.88 1a5j n GLY 8 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1a5j n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5j n PRO 9 N 0.00 -0.34 -0.73 1.61 -0.04 -1.18 -5.01 135.00 129.31 1a5j n PRO 9 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1a5j n PRO 9 Cb 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 33.66 1a5j n PRO 9 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1a5j s TRP 10 N -0.89 1.65 0.28 0.54 0.52 -1.26 -5.05 118.94 114.73 1a5j s TRP 10 Ca 0.00 1.45 -0.12 0.00 0.02 0.00 0.00 56.10 57.45 1a5j s TRP 10 Cb 0.00 -3.20 0.01 0.00 -1.15 0.00 0.00 33.47 29.12 1a5j s TRP 10 CO 0.00 -3.16 0.53 0.95 0.02 0.00 0.00 176.95 175.29 1a5j s THR 11 N -2.62 0.00 0.47 2.01 -4.23 -1.26 -4.97 115.64 105.04 1a5j s THR 11 Ca 0.67 -1.37 0.41 0.00 -1.18 0.00 0.00 61.69 60.21 1a5j s THR 11 Cb -0.23 -2.35 0.60 0.00 1.34 0.00 0.00 72.50 71.87 1a5j s THR 11 CO 0.60 0.00 1.43 1.17 -0.54 0.00 0.00 174.62 177.28 1a5j n LYS 12 N -0.44 -0.01 0.26 3.99 0.00 -1.26 0.18 118.16 120.88 1a5j n LYS 12 Ca -0.02 1.04 -0.16 0.00 0.00 0.00 0.00 58.31 59.18 1a5j n LYS 12 Cb 0.61 -2.28 -0.08 0.00 0.00 0.00 0.00 35.03 33.28 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1a5j h GLU 13 N 0.00 -0.61 -0.07 1.64 4.22 -1.98 0.73 114.58 118.52 1a5j h GLU 13 Ca 0.84 0.04 0.02 0.00 0.08 0.00 0.00 59.36 60.34 1a5j h GLU 13 Cb 3.17 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 32.55 1a5j h GLU 13 CO -0.15 -0.36 0.32 0.93 -2.18 0.00 0.00 179.01 177.56 1a5j h GLU 14 N -0.73 0.00 0.00 1.92 3.07 0.16 1.59 114.58 120.58 1a5j h GLU 14 Ca -0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1a5j h GLU 14 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1a5j h GLU 14 CO 0.11 0.00 -1.09 -0.25 -1.40 0.00 0.00 179.01 176.38 1a5j n ASP 15 N -3.07 0.72 0.02 1.42 9.92 -0.71 -2.63 116.55 122.21 1a5j n ASP 15 Ca -0.01 0.22 -0.04 0.00 -0.53 0.00 0.00 54.79 54.43 1a5j n ASP 15 Cb 0.39 0.63 -0.10 0.00 -0.64 0.00 0.00 41.12 41.40 1a5j n ASP 15 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1a5j h GLN 16 N 0.00 0.00 0.07 -1.24 3.07 0.44 -2.70 115.11 114.75 1a5j h GLN 16 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.61 1a5j h GLN 16 Cb 0.95 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.52 1a5j h GLN 16 CO 0.00 0.44 -0.59 -0.22 0.09 0.00 0.00 178.83 178.55 1a5j h LYS 17 N 0.00 0.15 -0.49 0.06 3.64 -0.44 -2.61 116.57 116.88 1a5j h LYS 17 Ca -0.19 -0.26 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 1a5j h LYS 17 Cb 1.77 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.67 1a5j h LYS 17 CO 0.07 1.12 0.02 0.28 -2.27 0.00 0.00 179.45 178.67 1a5j h VAL 18 N -0.66 1.24 0.00 2.00 2.07 -1.67 -1.65 116.25 117.58 1a5j h VAL 18 Ca -0.12 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1a5j h VAL 18 Cb 1.37 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1a5j h VAL 18 CO 0.05 0.35 0.00 -0.38 0.02 0.00 0.00 177.57 177.61 1a5j n ILE 19 N -4.22 0.00 0.15 4.57 -0.00 -1.02 0.43 119.36 119.27 1a5j n ILE 19 Ca 0.03 1.22 0.14 0.00 -0.00 0.00 0.00 62.75 64.13 1a5j n ILE 19 Cb 0.29 -2.18 0.40 0.00 -0.00 0.00 0.00 39.64 38.16 1a5j n ILE 19 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1a5j h GLU 20 N 0.00 0.00 0.00 0.38 4.22 -1.51 0.45 114.58 118.12 1a5j h GLU 20 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1a5j h GLU 20 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a5j h GLU 20 CO 0.00 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 178.11 1a5j n LEU 21 N -2.96 1.99 -0.60 1.64 4.77 -0.62 -1.81 117.00 119.41 1a5j n LEU 21 Ca 0.07 0.14 0.48 0.00 -0.03 0.00 0.00 56.01 56.66 1a5j n LEU 21 Cb 0.96 -0.15 0.79 0.00 -2.33 0.00 0.00 43.42 42.69 1a5j n LEU 21 CO 0.13 -0.15 1.42 0.58 -1.33 0.00 0.00 177.39 178.05 1a5j h VAL 22 N 0.00 0.10 -0.01 4.08 2.07 0.75 1.82 116.25 125.07 1a5j h VAL 22 Ca 0.00 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 22 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1a5j h VAL 22 CO 0.00 0.00 -0.01 0.07 0.02 0.00 0.00 177.57 177.65 1a5j h LYS 23 N 0.01 0.02 0.00 1.57 2.10 -0.26 1.73 116.57 121.75 1a5j h LYS 23 Ca 0.85 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 59.48 1a5j h LYS 23 Cb 3.32 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 34.65 1a5j h LYS 23 CO -0.07 0.58 -0.04 -0.22 -2.00 0.00 0.00 179.45 177.70 1a5j h LYS 24 N -0.54 0.00 0.00 0.07 3.11 0.31 -3.22 116.57 116.30 1a5j h LYS 24 Ca 0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.78 1a5j h LYS 24 Cb 0.57 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 1a5j h LYS 24 CO 0.00 0.04 -0.66 1.88 -2.81 0.00 0.00 179.45 177.90 1a5j h TYR 25 N 0.00 0.00 -4.51 1.91 -1.99 0.10 -3.51 116.97 108.98 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 0.45 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 1a5j h TYR 25 CO 0.00 0.37 -0.50 0.41 -0.00 0.00 0.00 178.16 178.44 1a5j n GLY 26 N 1.58 -2.70 0.00 3.88 0.00 0.59 -4.90 105.19 103.63 1a5j n GLY 26 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.96 0.00 0.00 2.61 5.66 -1.26 -5.00 114.28 118.26 1a5j n THR 27 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 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 1.17 -3.05 0.00 0.00 175.07 173.19 1a5j n LYS 28 N 0.00 0.00 -3.64 1.09 4.81 -1.26 -5.12 118.16 114.05 1a5j n LYS 28 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1a5j n LYS 28 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1a5j s GLN 29 N 0.00 2.54 0.00 1.64 -0.21 -1.26 -4.84 119.66 117.53 1a5j s GLN 29 Ca 0.00 -2.15 0.22 0.00 0.02 0.00 0.00 55.36 53.46 1a5j s GLN 29 Cb 0.00 -3.84 0.03 0.00 1.00 0.00 0.00 33.01 30.20 1a5j s GLN 29 CO 0.00 -1.17 1.08 0.91 -2.12 0.00 0.00 175.29 173.99 1a5j n TRP 30 N 4.20 0.00 -0.03 0.91 7.02 -1.26 -4.24 117.44 124.04 1a5j n TRP 30 Ca 0.02 0.00 -0.14 0.00 -1.02 0.00 0.00 57.50 56.36 1a5j n TRP 30 Cb 0.40 -0.06 -0.11 0.00 -2.42 0.00 0.00 31.31 29.13 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 0.52 1.50 -0.54 -0.99 1.03 -1.88 -2.93 112.91 109.61 1a5j h THR 31 Ca 0.00 -1.55 0.11 0.00 -0.01 0.00 0.00 66.41 64.96 1a5j h THR 31 Cb 0.55 2.50 -0.10 0.00 -1.07 0.00 0.00 68.15 70.02 1a5j h THR 31 CO 0.00 0.41 -0.08 0.17 -0.01 0.00 0.00 175.52 176.01 1a5j h LEU 32 N -0.55 -0.39 -1.14 0.00 8.10 -1.96 1.62 115.31 120.99 1a5j h LEU 32 Ca -0.00 0.15 0.13 0.00 0.11 0.00 0.00 57.88 58.27 1a5j h LEU 32 Cb 0.70 0.29 -0.08 0.00 -0.44 0.00 0.00 40.66 41.14 1a5j h LEU 32 CO 0.01 -0.14 0.60 0.40 -4.11 0.00 0.00 178.44 175.20 1a5j h ILE 33 N 0.04 0.88 -0.58 0.15 5.03 -1.75 1.84 117.51 123.12 1a5j h ILE 33 Ca 0.27 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 1a5j h ILE 33 Cb 0.42 -0.04 0.00 0.00 -3.03 0.00 0.00 36.82 34.16 1a5j h ILE 33 CO -0.52 0.15 0.00 0.00 -0.68 0.00 0.00 178.15 177.11 1a5j n ALA 34 N -2.39 2.94 -0.02 1.87 0.00 0.16 -3.30 120.51 119.78 1a5j n ALA 34 Ca 0.18 -1.34 -0.03 0.00 0.00 0.00 0.00 53.44 52.25 1a5j n ALA 34 Cb 0.41 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.82 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 1.03 0.36 0.01 0.00 0.00 0.50 -4.58 118.16 115.47 1a5j n LYS 35 Ca 0.22 0.03 0.13 0.00 0.00 0.00 0.00 58.31 58.69 1a5j n LYS 35 Cb 0.76 -1.10 0.47 0.00 0.00 0.00 0.00 35.03 35.17 1a5j n LYS 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1a5j n HIS 36 N -2.60 0.09 -3.61 5.64 8.25 0.55 -4.68 115.22 118.87 1a5j n HIS 36 Ca -0.08 0.03 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 1a5j n HIS 36 Cb 0.59 -0.46 -0.13 0.00 1.12 0.00 0.00 29.99 31.11 1a5j n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5j s LEU 37 N -3.16 -0.30 0.65 2.41 1.43 -1.21 -5.08 118.68 113.42 1a5j s LEU 37 Ca 0.12 0.43 -0.04 0.00 -1.03 0.00 0.00 54.13 53.61 1a5j s LEU 37 Cb 0.18 0.69 0.05 0.00 0.03 0.00 0.00 46.19 47.14 1a5j s LEU 37 CO 0.60 -0.26 0.93 -1.59 0.23 0.00 0.00 176.35 176.26 1a5j s LYS 38 N 2.42 2.33 0.00 1.70 0.00 -1.26 -4.32 119.74 120.61 1a5j s LYS 38 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 55.97 55.57 1a5j s LYS 38 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 37.83 35.42 1a5j s LYS 38 CO -0.10 -1.05 0.00 0.41 0.00 0.00 0.00 175.35 174.61 1a5j n GLY 39 N -2.72 2.96 3.86 0.59 0.00 -1.26 -5.02 105.19 103.60 1a5j n GLY 39 Ca 0.08 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 3.13 0.20 1.61 0.52 -1.26 -4.94 118.95 118.20 1a5j s ARG 40 Ca 0.00 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.46 1a5j s ARG 40 Cb 0.00 -2.80 0.04 0.00 0.52 0.00 0.00 34.95 32.72 1a5j s ARG 40 CO 0.00 0.52 0.27 1.28 0.02 0.00 0.00 175.30 177.39 1a5j n LEU 41 N -0.27 0.00 -3.78 2.53 7.99 -1.26 -4.72 117.00 117.49 1a5j n LEU 41 Ca -0.08 -0.34 -0.38 0.00 -0.01 0.00 0.00 56.01 55.20 1a5j n LEU 41 Cb 0.54 -0.20 -0.01 0.00 -0.11 0.00 0.00 43.42 43.63 1a5j n LEU 41 CO 0.46 -0.68 0.86 0.61 -1.51 0.00 0.00 177.39 177.13 1a5j n GLY 42 N 3.19 5.21 2.01 -0.72 0.00 -1.26 -4.49 105.19 109.13 1a5j n GLY 42 Ca 0.04 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.36 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 0.99 0.00 -3.98 1.61 3.00 -1.26 -4.85 118.16 113.67 1a5j n LYS 43 Ca 0.29 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.29 1a5j n LYS 43 Cb 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.23 1a5j n LYS 43 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1a5j s GLN 44 N -2.00 1.67 0.21 1.64 -0.44 -1.26 -4.79 119.66 114.70 1a5j s GLN 44 Ca 0.00 -2.09 0.00 0.00 -2.50 0.00 0.00 55.36 50.77 1a5j s GLN 44 Cb 0.00 -3.27 0.00 0.00 -1.64 0.00 0.00 33.01 28.10 1a5j s GLN 44 CO 0.00 -1.00 0.00 0.00 0.50 0.00 0.00 175.29 174.79 1a5j n ARG 46 N -2.90 1.77 -1.11 0.00 1.85 -1.26 -4.27 116.66 110.75 1a5j n ARG 46 Ca 0.00 -1.02 -0.18 0.00 -1.00 0.00 0.00 57.85 55.65 1a5j n ARG 46 Cb 0.00 -1.71 0.17 0.00 -1.05 0.00 0.00 32.46 29.88 1a5j n ARG 46 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1a5j n GLU 47 N 1.71 2.17 -0.10 2.89 1.02 -1.26 -4.43 120.64 122.63 1a5j n GLU 47 Ca 0.31 -3.14 -0.22 0.00 -0.02 0.00 0.00 57.16 54.09 1a5j n GLU 47 Cb 0.70 -2.06 -0.11 0.00 -0.02 0.00 0.00 31.44 29.96 1a5j n GLU 47 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1a5j h ARG 48 N 1.12 0.00 0.00 3.49 2.43 -1.90 -2.70 114.38 116.82 1a5j h ARG 48 Ca 0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 1a5j h ARG 48 Cb 2.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.76 1a5j h ARG 48 CO 0.87 0.98 0.00 0.11 -1.51 0.00 0.00 179.97 180.42 1a5j h TRP 49 N -1.00 0.00 0.00 2.20 0.09 -1.96 -2.84 115.95 112.44 1a5j h TRP 49 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.64 1a5j h TRP 49 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.53 1a5j h TRP 49 CO 0.09 0.00 -0.02 0.45 0.09 0.00 0.00 178.44 179.05 1a5j h HIS 50 N 0.00 0.00 -0.97 0.12 3.86 -1.77 -3.36 115.15 113.02 1a5j h HIS 50 Ca 0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 1a5j h HIS 50 Cb 0.81 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.11 1a5j h HIS 50 CO 0.00 0.00 0.38 0.09 0.86 0.00 0.00 177.93 179.26 1a5j n ASN 51 N -3.74 6.45 -0.02 2.45 5.03 -1.02 -4.35 115.26 120.07 1a5j n ASN 51 Ca -0.00 -3.18 -0.03 0.00 0.87 0.00 0.00 54.58 52.24 1a5j n ASN 51 Cb 0.01 -1.22 -0.01 0.00 -1.02 0.00 0.00 39.78 37.55 1a5j n ASN 51 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1a5j n HIS 52 N 0.84 0.00 -1.37 3.10 -0.00 -1.07 -4.87 115.22 111.85 1a5j n HIS 52 Ca 0.47 0.00 -0.51 0.00 0.46 0.00 0.00 57.72 58.14 1a5j n HIS 52 Cb 0.56 -0.14 -0.13 0.00 -0.12 0.00 0.00 29.99 30.16 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 -3.09 0.59 -4.67 0.27 0.00 -1.26 -4.85 117.00 103.98 1a5j n LEU 53 Ca -0.04 0.44 -0.38 0.00 0.00 0.00 0.00 56.01 56.04 1a5j n LEU 53 Cb 0.15 -0.92 -0.08 0.00 0.00 0.00 0.00 43.42 42.57 1a5j n LEU 53 CO 0.06 -0.75 0.04 0.21 0.00 0.00 0.00 177.39 176.95 1a5j s ASN 54 N 7.40 6.38 0.00 1.96 2.47 -1.26 -5.03 114.94 126.87 1a5j s ASN 54 Ca 1.27 0.45 0.00 0.00 0.42 0.00 0.00 52.86 54.99 1a5j s ASN 54 Cb -1.37 -2.21 0.00 0.00 -1.45 0.00 0.00 41.25 36.22 1a5j s ASN 54 CO 0.58 -0.04 0.00 -0.81 -3.72 0.00 0.00 177.10 173.12 1a5j n PRO 55 N 4.35 0.00 -1.20 0.43 -0.04 -1.26 -5.03 135.00 132.26 1a5j n PRO 55 Ca -0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.49 1a5j n PRO 55 Cb 0.51 -0.14 -0.06 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.01 -2.36 -0.51 0.54 2.13 -1.26 -4.20 120.64 114.97 1a5j n GLU 56 Ca 0.00 1.85 -0.00 0.00 0.66 0.00 0.00 57.16 59.66 1a5j n GLU 56 Cb 0.00 -2.93 0.18 0.00 0.27 0.00 0.00 31.44 28.95 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 -3.83 1.60 -0.84 6.31 0.31 -1.26 -4.87 118.33 115.76 1a5j n VAL 57 Ca -0.05 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.50 1a5j n VAL 57 Cb 0.58 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 1a5j n VAL 57 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1a5j n LYS 58 N 0.15 0.00 0.00 5.55 4.81 -1.26 -4.67 118.16 122.74 1a5j n LYS 58 Ca 0.18 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 1a5j n LYS 58 Cb 0.83 -0.56 0.00 0.00 0.02 0.00 0.00 35.03 35.32 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1a5j n LYS 59 N 0.09 0.00 -1.54 1.64 4.01 -1.26 -4.15 118.16 116.95 1a5j n LYS 59 Ca 0.00 0.00 -0.48 0.00 -0.51 0.00 0.00 58.31 57.32 1a5j n LYS 59 Cb 0.00 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.47 1a5j n LYS 59 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1a5j n SER 60 N -3.81 2.71 0.00 4.39 7.64 -1.26 -4.75 113.62 118.54 1a5j n SER 60 Ca 0.00 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1a5j n SER 60 Cb 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a5j n SER 61 N 9.81 0.00 -3.62 6.43 7.64 -1.26 -5.12 113.62 127.50 1a5j n SER 61 Ca 0.34 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 1a5j n SER 61 Cb 0.31 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.78 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 -1.11 -0.23 0.00 1.43 0.52 -1.26 -4.99 118.94 113.29 1a5j s TRP 62 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 56.10 56.75 1a5j s TRP 62 Cb 0.00 -3.01 0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1a5j s TRP 62 CO 0.00 -4.70 0.00 0.25 0.02 0.00 0.00 176.95 172.52 1a5j n THR 63 N -5.42 0.00 0.00 2.01 -2.24 -1.26 -4.32 114.28 103.05 1a5j n THR 63 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 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 -0.48 -0.78 1.02 -1.26 -2.75 120.64 116.39 1a5j n GLU 64 Ca 0.00 0.00 0.40 0.00 -0.02 0.00 0.00 57.16 57.54 1a5j n GLU 64 Cb 0.00 -0.38 0.73 0.00 -0.02 0.00 0.00 31.44 31.77 1a5j n GLU 64 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1a5j h GLU 65 N 0.00 0.06 -0.51 3.49 4.11 -2.00 1.54 114.58 121.27 1a5j h GLU 65 Ca 0.00 -0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.35 1a5j h GLU 65 Cb 0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1a5j h GLU 65 CO 0.00 0.04 0.02 0.93 0.07 0.00 0.00 179.01 180.07 1a5j h GLU 66 N 0.06 0.89 -0.03 1.06 5.08 -1.98 0.42 114.58 120.07 1a5j h GLU 66 Ca 0.76 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1a5j h GLU 66 Cb 2.76 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.92 1a5j h GLU 66 CO -0.15 0.91 -0.04 0.22 -1.00 0.00 0.00 179.01 178.95 1a5j h ASP 67 N 0.76 0.09 0.65 1.42 3.58 0.23 -2.80 116.42 120.34 1a5j h ASP 67 Ca 0.15 -0.55 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 1a5j h ASP 67 Cb 0.49 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1a5j h ASP 67 CO 0.02 0.61 -0.36 0.03 -2.88 0.00 0.00 179.24 176.67 1a5j h ARG 68 N -0.44 -0.89 0.00 0.28 2.47 -0.81 0.68 114.38 115.67 1a5j h ARG 68 Ca 0.00 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1a5j h ARG 68 Cb 0.60 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 1a5j h ARG 68 CO 0.01 -0.59 0.00 -0.89 0.56 0.00 0.00 179.97 179.06 1a5j n ILE 69 N -4.64 0.00 -0.28 2.04 5.41 0.15 0.13 119.36 122.17 1a5j n ILE 69 Ca -0.11 1.36 -0.05 0.00 1.00 0.00 0.00 62.75 64.95 1a5j n ILE 69 Cb 0.38 -1.83 -0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 0.08 -1.00 1.39 2.04 -1.52 1.74 117.51 120.23 1a5j h ILE 70 Ca 0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 1a5j h ILE 70 Cb 0.00 0.08 -0.10 0.00 -0.74 0.00 0.00 36.82 36.05 1a5j h ILE 70 CO 0.00 0.00 0.62 0.15 0.00 0.00 0.00 178.15 178.92 1a5j h PHE 71 N -0.12 0.93 -0.65 1.37 3.57 0.18 1.12 116.94 123.35 1a5j h PHE 71 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1a5j h PHE 71 Cb 0.56 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1a5j h PHE 71 CO -0.77 0.15 0.00 -0.85 -2.23 0.00 0.00 178.31 174.62 1a5j n GLU 72 N -4.74 3.01 -0.01 1.11 0.28 0.35 -3.91 120.64 116.72 1a5j n GLU 72 Ca 0.24 -2.54 0.03 0.00 -0.16 0.00 0.00 57.16 54.73 1a5j n GLU 72 Cb 0.68 -1.68 -0.07 0.00 1.43 0.00 0.00 31.44 31.80 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 1.28 2.21 0.49 -1.84 0.00 0.51 -4.40 120.51 118.76 1a5j n ALA 73 Ca 0.23 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1a5j n ALA 73 Cb 0.69 -0.23 0.44 0.00 0.00 0.00 0.00 19.45 20.35 1a5j n ALA 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1a5j h HIS 74 N 0.00 0.00 -0.72 0.00 2.76 -0.47 -2.31 115.15 114.42 1a5j h HIS 74 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 1a5j h HIS 74 Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1a5j h HIS 74 CO 0.00 0.00 0.00 0.36 -1.30 0.00 0.00 177.93 176.99 1a5j n LYS 75 N -2.38 3.05 -0.03 5.26 2.85 -1.26 -2.92 118.16 122.73 1a5j n LYS 75 Ca 0.04 -2.75 -0.02 0.00 -1.05 0.00 0.00 58.31 54.52 1a5j n LYS 75 Cb 0.35 -1.68 -0.06 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 1.52 0.44 0.01 0.58 0.31 -0.88 -4.94 118.33 115.36 1a5j n VAL 76 Ca 0.25 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1a5j n VAL 76 Cb 0.71 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 -2.20 0.02 0.00 7.52 4.32 -1.12 -5.13 117.00 120.40 1a5j n LEU 77 Ca -0.11 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1a5j n LEU 77 Cb 0.66 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1a5j n LEU 77 CO 0.16 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.42 1a5j n GLY 78 N 2.19 0.22 1.09 -0.72 0.00 -1.15 -4.82 105.19 102.00 1a5j n GLY 78 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.60 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 3.02 -2.46 1.61 0.23 -1.26 -4.58 115.26 111.83 1a5j n ASN 79 Ca 0.00 -2.39 -0.12 0.00 -0.53 0.00 0.00 54.58 51.54 1a5j n ASN 79 Cb 0.00 -0.56 -0.08 0.00 -2.08 0.00 0.00 39.78 37.05 1a5j n ASN 79 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1a5j n ARG 80 N 0.29 1.55 -0.34 -3.83 0.63 -1.26 -4.49 116.66 109.20 1a5j n ARG 80 Ca 0.12 -0.88 0.24 0.00 -0.92 0.00 0.00 57.85 56.41 1a5j n ARG 80 Cb 0.65 -2.00 0.51 0.00 0.45 0.00 0.00 32.46 32.07 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1a5j h TRP 81 N 4.65 0.70 -0.69 -0.14 4.06 -1.89 2.13 115.95 124.77 1a5j h TRP 81 Ca 0.24 0.03 0.20 0.00 2.06 0.00 0.00 58.89 61.41 1a5j h TRP 81 Cb 0.75 -0.20 -0.03 0.00 -1.00 0.00 0.00 29.16 28.68 1a5j h TRP 81 CO 1.62 0.01 0.63 0.00 -3.56 0.00 0.00 178.44 177.14 1a5j h ALA 82 N 1.64 2.50 0.00 1.49 0.00 -1.88 0.38 119.26 123.40 1a5j h ALA 82 Ca 0.64 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 55.30 1a5j h ALA 82 Cb 1.62 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1a5j h ALA 82 CO -0.35 -0.98 -1.79 0.39 0.00 0.00 0.00 179.25 176.52 1a5j n GLU 83 N -3.84 0.33 -0.35 0.00 -0.58 0.64 -4.10 120.64 112.74 1a5j n GLU 83 Ca 0.14 0.10 0.26 0.00 -0.42 0.00 0.00 57.16 57.24 1a5j n GLU 83 Cb 0.88 -1.16 0.51 0.00 -0.57 0.00 0.00 31.44 31.09 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 -0.23 0.30 -0.04 -3.67 5.03 0.13 1.35 117.51 120.39 1a5j h ILE 84 Ca -0.33 -0.10 -0.24 0.00 -0.12 0.00 0.00 64.86 64.06 1a5j h ILE 84 Cb 1.41 -0.03 0.01 0.00 -3.03 0.00 0.00 36.82 35.18 1a5j h ILE 84 CO -0.12 0.05 -0.94 0.00 -0.68 0.00 0.00 178.15 176.46 1a5j h ALA 85 N 1.79 0.27 -0.09 1.87 0.00 -1.16 -3.39 119.26 118.55 1a5j h ALA 85 Ca 0.73 -0.67 -0.35 0.00 0.00 0.00 0.00 54.91 54.61 1a5j h ALA 85 Cb 1.79 0.01 0.06 0.00 0.00 0.00 0.00 17.79 19.65 1a5j h ALA 85 CO -0.54 0.73 0.97 1.63 0.00 0.00 0.00 179.25 182.04 1a5j n LYS 86 N -3.84 0.46 0.00 0.00 5.02 0.46 -2.70 118.16 117.56 1a5j n LYS 86 Ca -0.09 -1.57 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 1a5j n LYS 86 Cb 0.83 -3.24 0.00 0.00 -0.02 0.00 0.00 35.03 32.59 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 13.48 0.00 -4.30 -0.35 4.77 -1.26 -4.95 117.00 124.39 1a5j n LEU 87 Ca 0.45 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 56.19 1a5j n LEU 87 Cb 0.44 0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1a5j n LEU 87 CO 0.89 -0.17 -0.52 -0.76 -1.33 0.00 0.00 177.39 175.51 1a5j s LEU 88 N -3.67 2.32 -0.79 2.23 1.02 -1.10 -5.07 118.68 113.61 1a5j s LEU 88 Ca 0.00 -0.72 -0.26 0.00 0.02 0.00 0.00 54.13 53.18 1a5j s LEU 88 Cb 0.00 -0.91 0.00 0.00 0.02 0.00 0.00 46.19 45.30 1a5j s LEU 88 CO 0.00 0.06 1.62 -2.16 0.02 0.00 0.00 176.35 175.88 1a5j s PRO 89 N -2.06 2.98 0.00 1.29 0.04 -1.26 -4.76 135.00 131.24 1a5j s PRO 89 Ca 0.09 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1a5j s PRO 89 Cb -0.09 -4.66 0.00 0.00 0.04 0.00 0.00 34.50 29.78 1a5j s PRO 89 CO 0.05 -2.58 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1a5j n GLY 90 N 6.08 4.87 1.40 0.56 0.00 -1.26 -5.15 105.19 111.69 1a5j n GLY 90 Ca 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1a5j n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5j n ARG 91 N -1.93 -3.65 0.00 1.61 5.12 -1.26 -5.01 116.66 111.54 1a5j n ARG 91 Ca 0.00 2.69 0.00 0.00 -1.93 0.00 0.00 57.85 58.61 1a5j n ARG 91 Cb 0.00 -2.83 0.00 0.00 -1.16 0.00 0.00 32.46 28.47 1a5j n ARG 91 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1a5j n THR 92 N 0.73 0.00 -0.06 0.55 -2.24 -1.26 -4.81 114.28 107.19 1a5j n THR 92 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1a5j n THR 92 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.12 0.09 3.42 2.03 -1.91 -3.09 116.42 117.08 1a5j h ASP 93 Ca 0.00 -0.75 0.00 0.00 -0.73 0.00 0.00 57.03 55.55 1a5j h ASP 93 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 1a5j h ASP 93 CO 0.00 1.40 0.00 0.59 -1.03 0.00 0.00 179.24 180.20 1a5j n ASN 94 N -4.32 0.53 -0.00 4.15 5.03 -1.26 0.04 115.26 119.42 1a5j n ASN 94 Ca -0.24 0.73 -0.00 0.00 0.87 0.00 0.00 54.58 55.94 1a5j n ASN 94 Cb 0.69 -0.80 -0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1a5j n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5j h ALA 95 N 2.04 0.00 -0.24 5.41 0.00 -1.92 -3.24 119.26 121.31 1a5j h ALA 95 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1a5j h ALA 95 Cb 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1a5j h ALA 95 CO 0.00 0.01 -0.10 0.28 0.00 0.00 0.00 179.25 179.44 1a5j h VAL 96 N -0.06 0.68 -0.53 0.00 2.07 -1.43 0.10 116.25 117.08 1a5j h VAL 96 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1a5j h VAL 96 Cb 0.01 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1a5j h VAL 96 CO 0.00 0.00 -0.31 1.17 0.02 0.00 0.00 177.57 178.45 1a5j n LYS 97 N -5.26 -0.23 -0.04 1.57 4.81 0.11 0.14 118.16 119.26 1a5j n LYS 97 Ca -0.01 1.19 -0.09 0.00 -0.87 0.00 0.00 58.31 58.54 1a5j n LYS 97 Cb 0.18 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 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 -0.05 -1.33 3.14 -0.73 -1.49 0.34 115.58 115.46 1a5j h ASN 98 Ca 0.09 0.04 0.39 0.00 1.87 0.00 0.00 56.30 58.68 1a5j h ASN 98 Cb 0.22 0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.82 1a5j h ASN 98 CO -0.50 0.00 1.06 -0.74 -0.37 0.00 0.00 177.43 176.88 1a5j h HIS 99 N 0.08 0.00 0.18 0.67 2.76 0.23 1.04 115.15 120.11 1a5j h HIS 99 Ca 0.09 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1a5j h HIS 99 Cb 0.11 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.07 1a5j h HIS 99 CO -0.17 0.00 -0.09 2.35 -1.30 0.00 0.00 177.93 178.73 1a5j h TRP 100 N 0.00 -0.23 0.00 5.26 -0.00 0.18 -2.20 115.95 118.97 1a5j h TRP 100 Ca 0.63 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.52 1a5j h TRP 100 Cb 2.75 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 31.99 1a5j h TRP 100 CO 0.00 -0.14 0.00 0.09 -0.00 0.00 0.00 178.44 178.39 1a5j n ASN 101 N -2.71 0.00 0.00 2.65 3.02 0.39 -0.96 115.26 117.65 1a5j n ASN 101 Ca -0.03 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1a5j n ASN 101 Cb 0.10 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.20 0.00 0.00 6.41 2.88 0.33 -4.71 113.62 117.33 1a5j n SER 102 Ca 0.08 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1a5j n SER 102 Cb 0.09 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.70 0.00 -0.31 2.46 -1.04 -0.87 -4.68 114.28 109.13 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 0.81 0.09 0.00 -1.82 0.00 0.00 70.33 69.41 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 -0.80 2.29 -3.42 12.58 5.41 -0.50 -4.65 119.36 130.26 1a5j n ILE 104 Ca 0.00 -1.14 -0.16 0.00 1.00 0.00 0.00 62.75 62.45 1a5j n ILE 104 Cb 0.00 -0.78 -0.10 0.00 -0.71 0.00 0.00 39.64 38.04 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 -1.84 0.28 -0.01 0.38 -0.14 -0.13 -4.67 119.74 113.61 1a5j s LYS 105 Ca 0.32 0.11 -0.01 0.00 -1.36 0.00 0.00 55.97 55.03 1a5j s LYS 105 Cb 0.26 -0.81 -0.00 0.00 -1.68 0.00 0.00 37.83 35.60 1a5j s LYS 105 CO 0.05 -0.82 0.12 0.00 -0.76 0.00 0.00 175.35 173.94 1a5j h ARG 106 N 8.26 -0.02 -5.19 1.68 -0.00 -1.89 -3.39 114.38 113.83 1a5j h ARG 106 Ca -0.16 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 58.98 1a5j h ARG 106 Cb 1.12 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.09 1a5j h ARG 106 CO 0.30 -0.01 1.09 1.17 0.00 0.00 0.00 179.97 182.52 1a5j n LYS 107 N -2.38 1.17 0.00 0.04 4.81 -1.26 -3.24 118.16 117.30 1a5j n LYS 107 Ca -0.00 -2.11 0.00 0.00 -0.87 0.00 0.00 58.31 55.33 1a5j n LYS 107 Cb 0.01 -3.55 0.00 0.00 0.02 0.00 0.00 35.03 31.51 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 7.70 0.00 -2.96 3.15 0.31 -1.26 -5.03 118.33 120.24 1a5j n VAL 108 Ca 0.45 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.65 1a5j n VAL 108 Cb 0.45 -0.12 -0.02 0.00 -0.91 0.00 0.00 33.84 33.24 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 -2.16 -2.17 0.00 4.52 -0.08 -1.20 -5.22 116.55 110.23 1a5j n ASP 109 Ca 0.00 -2.85 0.00 0.00 -1.51 0.00 0.00 54.79 50.43 1a5j n ASP 109 Cb 0.00 0.92 0.00 0.00 2.34 0.00 0.00 41.12 44.38 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39