#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 1.11 0.00 -0.61 2.08 -1.26 -5.09 119.36 115.60 1a5j n ILE 2 Ca 0.00 -4.69 0.00 0.00 0.56 0.00 0.00 62.75 58.62 1a5j n ILE 2 Cb 0.00 -2.04 0.00 0.00 -0.75 0.00 0.00 39.64 36.85 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1a5j n PRO 3 N 1.31 1.54 -1.03 0.38 -0.04 -1.26 -4.91 135.00 130.99 1a5j n PRO 3 Ca 0.26 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.42 1a5j n PRO 3 Cb 0.44 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.06 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 3.15 0.00 3.54 2.15 -1.26 -3.36 116.67 119.63 1a5j s ASP 4 Ca 0.00 1.66 0.00 0.00 0.43 0.00 0.00 52.55 54.64 1a5j s ASP 4 Cb 0.00 -2.30 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 1a5j s ASP 4 CO 0.00 -2.87 0.00 0.18 -0.17 0.00 0.00 175.17 172.31 1a5j n LEU 5 N -4.05 0.01 0.00 -1.34 4.77 -1.26 -4.97 117.00 110.16 1a5j n LEU 5 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1a5j n LEU 5 Cb 0.54 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1a5j n LEU 5 CO 0.54 -0.01 0.00 0.52 -1.33 0.00 0.00 177.39 177.11 1a5j n VAL 6 N -2.82 0.00 -2.31 4.08 0.31 -1.21 -4.22 118.33 112.15 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 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1a5j n VAL 6 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5j n LYS 7 N 0.00 -2.78 0.00 5.55 5.02 -1.26 -3.67 118.16 121.02 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a5j n LYS 7 Cb 0.00 -4.26 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5j n GLY 8 N -0.45 0.74 3.28 0.72 0.00 -1.26 -5.16 105.19 103.07 1a5j n GLY 8 Ca 0.00 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.03 -1.07 1.61 -0.04 -1.24 -5.02 135.00 127.21 1a5j n PRO 9 Ca 0.00 -1.70 -0.31 0.00 -0.04 0.00 0.00 63.50 61.45 1a5j n PRO 9 Cb 0.00 -1.34 0.12 0.00 -0.04 0.00 0.00 33.50 32.24 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 -3.19 2.25 0.26 0.54 0.52 -1.26 -5.05 118.94 113.00 1a5j s TRP 10 Ca 0.65 1.59 -0.13 0.00 0.02 0.00 0.00 56.10 58.23 1a5j s TRP 10 Cb -0.04 -3.15 -0.00 0.00 -1.15 0.00 0.00 33.47 29.14 1a5j s TRP 10 CO 0.48 -2.20 0.51 0.95 0.02 0.00 0.00 176.95 176.71 1a5j s THR 11 N -2.82 0.00 0.48 2.01 -4.23 -1.26 -4.99 115.64 104.83 1a5j s THR 11 Ca 0.63 -1.37 0.35 0.00 -1.18 0.00 0.00 61.69 60.13 1a5j s THR 11 Cb -0.19 -2.22 0.55 0.00 1.34 0.00 0.00 72.50 71.98 1a5j s THR 11 CO 0.57 0.00 1.63 0.50 -0.54 0.00 0.00 174.62 176.78 1a5j h LYS 12 N 2.22 0.06 -0.54 3.99 3.64 -1.99 1.61 116.57 125.55 1a5j h LYS 12 Ca -0.26 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1a5j h LYS 12 Cb 1.25 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 1a5j h LYS 12 CO 0.34 0.04 0.31 1.49 -2.27 0.00 0.00 179.45 179.36 1a5j h GLU 13 N 0.06 0.58 -0.71 1.90 4.22 -1.98 0.43 114.58 119.09 1a5j h GLU 13 Ca 0.82 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 60.24 1a5j h GLU 13 Cb 2.82 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 31.90 1a5j h GLU 13 CO -0.28 0.39 0.46 0.93 -2.18 0.00 0.00 179.01 178.33 1a5j h GLU 14 N 0.60 0.91 0.26 1.92 3.07 0.20 -1.64 114.58 119.89 1a5j h GLU 14 Ca 0.23 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.02 1a5j h GLU 14 Cb 0.08 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.78 1a5j h GLU 14 CO -0.12 0.60 -0.13 -0.44 -1.40 0.00 0.00 179.01 177.52 1a5j h ASP 15 N 0.93 -0.30 -1.74 1.42 3.32 -1.04 -0.76 116.42 118.24 1a5j h ASP 15 Ca 0.27 0.01 0.51 0.00 0.02 0.00 0.00 57.03 57.84 1a5j h ASP 15 Cb -0.08 0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 1a5j h ASP 15 CO -0.07 -0.14 1.24 0.00 -1.72 0.00 0.00 179.24 178.55 1a5j n GLN 16 N -3.33 -0.00 0.05 3.56 10.64 0.15 0.16 117.38 128.60 1a5j n GLN 16 Ca -0.04 1.01 -0.03 0.00 -1.83 0.00 0.00 57.00 56.10 1a5j n GLN 16 Cb 0.14 -2.28 -0.01 0.00 -0.86 0.00 0.00 30.24 27.22 1a5j n GLN 16 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1a5j h LYS 17 N 0.00 -0.19 0.00 2.61 3.64 -1.12 -0.66 116.57 120.85 1a5j h LYS 17 Ca 0.85 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 60.25 1a5j h LYS 17 Cb 3.36 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 35.22 1a5j h LYS 17 CO -0.06 -0.13 0.08 0.28 -2.27 0.00 0.00 179.45 177.35 1a5j h VAL 18 N -0.86 0.00 0.00 2.00 2.07 0.17 0.27 116.25 119.90 1a5j h VAL 18 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1a5j h VAL 18 Cb 0.15 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1a5j h VAL 18 CO 0.03 0.00 -0.02 0.40 0.02 0.00 0.00 177.57 178.01 1a5j h ILE 19 N 0.00 0.00 0.00 4.57 5.03 0.16 -2.37 117.51 124.90 1a5j h ILE 19 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 1a5j h ILE 19 Cb 0.15 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.94 1a5j h ILE 19 CO 0.00 0.00 0.23 -0.33 -0.68 0.00 0.00 178.15 177.37 1a5j h GLU 20 N -0.12 0.00 0.02 2.37 5.08 -0.79 0.09 114.58 121.22 1a5j h GLU 20 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a5j h GLU 20 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1a5j h GLU 20 CO 0.00 0.00 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.93 1a5j h LEU 21 N 0.00 -0.02 -1.71 1.33 3.38 -0.59 -2.82 115.31 114.88 1a5j h LEU 21 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1a5j h LEU 21 Cb 0.45 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1a5j h LEU 21 CO 0.00 0.18 0.44 0.58 0.09 0.00 0.00 178.44 179.73 1a5j h VAL 22 N -0.41 0.02 0.34 1.22 2.07 -0.87 0.35 116.25 118.97 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 0.02 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1a5j h VAL 22 CO 0.00 0.00 -0.16 0.11 0.02 0.00 0.00 177.57 177.54 1a5j h LYS 23 N 0.00 -0.44 0.00 1.57 1.57 -1.05 1.60 116.57 119.82 1a5j h LYS 23 Ca 0.01 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1a5j h LYS 23 Cb 0.89 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 1a5j h LYS 23 CO -0.00 -0.21 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.37 1a5j h LYS 24 N -1.07 0.00 0.00 3.15 3.64 -0.62 -3.12 116.57 118.55 1a5j h LYS 24 Ca -0.05 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1a5j h LYS 24 Cb 0.44 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1a5j h LYS 24 CO 0.08 0.09 -0.27 1.88 -2.27 0.00 0.00 179.45 178.95 1a5j h TYR 25 N 0.00 0.00 -3.17 1.91 -1.99 -0.41 -3.50 116.97 109.81 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 0.29 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.02 1a5j h TYR 25 CO 0.00 0.16 0.00 0.41 -0.00 0.00 0.00 178.16 178.73 1a5j n GLY 26 N 1.68 0.00 0.00 3.88 0.00 0.55 -4.79 105.19 106.51 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 1.80 0.00 0.00 2.61 5.66 -1.26 -5.00 114.28 118.09 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 0.29 -3.05 0.00 0.00 175.07 172.31 1a5j n LYS 28 N 0.00 0.00 -3.56 1.09 4.76 -1.26 -5.10 118.16 114.08 1a5j n LYS 28 Ca 0.00 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.04 1a5j n LYS 28 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 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 3.17 0.00 1.97 -0.21 -1.26 -4.80 119.66 118.53 1a5j s GLN 29 Ca 0.00 -2.78 0.26 0.00 0.02 0.00 0.00 55.36 52.85 1a5j s GLN 29 Cb 0.00 -4.04 0.59 0.00 1.00 0.00 0.00 33.01 30.56 1a5j s GLN 29 CO 0.00 -1.23 1.46 0.91 -2.12 0.00 0.00 175.29 174.31 1a5j n TRP 30 N 3.22 0.00 -0.21 0.91 7.02 -1.26 -3.98 117.44 123.14 1a5j n TRP 30 Ca 0.14 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.55 1a5j n TRP 30 Cb 0.40 -0.12 0.02 0.00 -2.42 0.00 0.00 31.31 29.20 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 1.19 1.24 -0.54 -0.99 1.03 -1.96 -2.73 112.91 110.15 1a5j h THR 31 Ca 0.00 -0.81 0.11 0.00 -0.01 0.00 0.00 66.41 65.69 1a5j h THR 31 Cb 0.54 0.67 -0.09 0.00 -1.07 0.00 0.00 68.15 68.20 1a5j h THR 31 CO 0.00 0.31 0.02 0.17 -0.01 0.00 0.00 175.52 176.00 1a5j h LEU 32 N 0.82 -0.20 -0.97 0.00 8.10 -1.96 1.30 115.31 122.40 1a5j h LEU 32 Ca 0.19 0.13 0.12 0.00 0.11 0.00 0.00 57.88 58.42 1a5j h LEU 32 Cb 0.28 0.22 -0.08 0.00 -0.44 0.00 0.00 40.66 40.64 1a5j h LEU 32 CO -0.01 -0.07 0.60 0.40 -4.11 0.00 0.00 178.44 175.25 1a5j h ILE 33 N 0.14 0.91 -0.48 0.15 5.03 -1.73 1.94 117.51 123.47 1a5j h ILE 33 Ca 0.28 -0.33 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1a5j h ILE 33 Cb 0.43 -0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.09 1a5j h ILE 33 CO -0.44 0.17 0.00 0.00 -0.68 0.00 0.00 178.15 177.20 1a5j n ALA 34 N -2.35 2.54 -0.04 1.87 0.00 0.96 -2.77 120.51 120.72 1a5j n ALA 34 Ca 0.18 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 1a5j n ALA 34 Cb 0.35 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 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 0.89 0.69 0.12 0.00 0.00 0.41 -4.57 118.16 115.71 1a5j n LYS 35 Ca 0.17 0.04 0.12 0.00 0.00 0.00 0.00 58.31 58.64 1a5j n LYS 35 Cb 0.47 -1.17 0.19 0.00 0.00 0.00 0.00 35.03 34.52 1a5j n LYS 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1a5j h HIS 36 N 0.00 0.00 -2.93 5.64 3.86 0.25 -3.43 115.15 118.54 1a5j h HIS 36 Ca -0.19 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.70 1a5j h HIS 36 Cb 1.31 0.00 -0.36 0.00 1.06 0.00 0.00 27.41 29.42 1a5j h HIS 36 CO 0.01 0.00 -0.65 -0.51 0.86 0.00 0.00 177.93 177.64 1a5j s LEU 37 N -5.09 -0.04 -0.22 2.43 1.43 -1.12 -5.08 118.68 111.00 1a5j s LEU 37 Ca 0.06 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1a5j s LEU 37 Cb 0.10 0.25 0.05 0.00 0.03 0.00 0.00 46.19 46.62 1a5j s LEU 37 CO 0.69 -0.28 -0.12 -1.59 0.23 0.00 0.00 176.35 175.29 1a5j s LYS 38 N 2.29 2.22 0.00 1.70 0.00 -1.26 -4.20 119.74 120.48 1a5j s LYS 38 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 55.97 54.98 1a5j s LYS 38 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 37.83 35.07 1a5j s LYS 38 CO -0.08 -0.46 0.00 0.41 0.00 0.00 0.00 175.35 175.22 1a5j n GLY 39 N 4.58 0.45 2.57 0.59 0.00 -1.26 -5.00 105.19 107.12 1a5j n GLY 39 Ca -0.15 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 1a5j n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5j n ARG 40 N 0.00 2.39 0.00 1.61 0.63 -1.26 -4.96 116.66 115.07 1a5j n ARG 40 Ca 0.00 -4.00 0.00 0.00 -0.92 0.00 0.00 57.85 52.93 1a5j n ARG 40 Cb 0.00 -1.84 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1a5j n LEU 41 N -0.25 0.00 -2.46 6.15 7.99 -1.26 -4.34 117.00 122.83 1a5j n LEU 41 Ca 0.26 0.00 -0.18 0.00 -0.01 0.00 0.00 56.01 56.08 1a5j n LEU 41 Cb 0.69 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 44.02 1a5j n LEU 41 CO 0.30 -0.02 0.09 0.61 -1.51 0.00 0.00 177.39 176.86 1a5j n GLY 42 N 0.00 4.43 0.34 -0.72 0.00 -1.26 -4.77 105.19 103.20 1a5j n GLY 42 Ca 0.00 -2.14 -0.00 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.46 0.01 -1.92 1.61 3.00 -1.26 -4.81 118.16 114.33 1a5j n LYS 43 Ca 0.28 0.01 -0.24 0.00 -0.00 0.00 0.00 58.31 58.36 1a5j n LYS 43 Cb 0.80 -0.37 -0.07 0.00 0.00 0.00 0.00 35.03 35.39 1a5j n LYS 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a5j s GLN 44 N -1.07 2.12 0.00 1.64 1.11 -1.26 -3.48 119.66 118.73 1a5j s GLN 44 Ca -0.01 -0.78 0.00 0.00 0.01 0.00 0.00 55.36 54.58 1a5j s GLN 44 Cb 0.00 -5.13 0.00 0.00 -1.01 0.00 0.00 33.01 26.87 1a5j s GLN 44 CO 0.01 -4.32 0.00 0.00 0.01 0.00 0.00 175.29 170.99 1a5j n ARG 46 N -2.22 -0.02 -1.93 0.00 1.74 -1.23 -3.32 116.66 109.68 1a5j n ARG 46 Ca 0.00 0.96 -0.24 0.00 -0.77 0.00 0.00 57.85 57.80 1a5j n ARG 46 Cb 0.00 -2.03 -0.08 0.00 -1.02 0.00 0.00 32.46 29.33 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 -4.75 2.12 0.21 5.56 -6.30 -1.26 -3.22 118.70 111.06 1a5j s GLU 47 Ca -0.05 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.53 1a5j s GLU 47 Cb 0.24 -5.15 0.00 0.00 0.00 0.00 0.00 34.13 29.22 1a5j s GLU 47 CO 0.70 -4.38 0.00 -2.13 0.02 0.00 0.00 175.26 169.47 1a5j n ARG 48 N 8.30 0.00 -0.00 4.30 0.00 -1.21 -4.94 116.66 123.11 1a5j n ARG 48 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 1a5j n ARG 48 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 32.46 32.92 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 -2.97 0.00 -0.11 -0.14 2.14 -1.23 -3.98 117.44 111.15 1a5j n TRP 49 Ca 0.00 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.44 1a5j n TRP 49 Cb 0.00 -0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.46 1a5j n TRP 49 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1a5j h HIS 50 N 0.00 0.89 0.08 -2.67 3.86 -1.87 -1.35 115.15 114.10 1a5j h HIS 50 Ca 0.00 -0.25 -0.25 0.00 -1.16 0.00 0.00 60.37 58.71 1a5j h HIS 50 Cb 0.02 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1a5j h HIS 50 CO 0.00 1.00 -1.32 -0.91 0.86 0.00 0.00 177.93 177.56 1a5j h ASN 51 N 0.53 0.28 0.00 2.45 -0.26 -1.82 -3.40 115.58 113.36 1a5j h ASN 51 Ca 0.06 -0.80 0.00 0.00 -0.56 0.00 0.00 56.30 55.00 1a5j h ASN 51 Cb 0.82 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1a5j h ASN 51 CO 0.07 1.57 0.00 1.41 -1.06 0.00 0.00 177.43 179.41 1a5j n HIS 52 N -4.04 0.00 -1.53 1.19 8.25 -1.24 -4.15 115.22 113.69 1a5j n HIS 52 Ca -0.26 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.88 1a5j n HIS 52 Cb 0.84 -0.45 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 1a5j n HIS 52 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1a5j n LEU 53 N -2.18 1.28 -3.74 2.41 -0.00 -0.51 -4.84 117.00 109.42 1a5j n LEU 53 Ca 0.00 -0.49 -0.13 0.00 -0.00 0.00 0.00 56.01 55.39 1a5j n LEU 53 Cb 0.00 -1.31 -0.10 0.00 -0.00 0.00 0.00 43.42 42.01 1a5j n LEU 53 CO 0.00 -1.50 0.06 0.21 -0.00 0.00 0.00 177.39 176.16 1a5j s ASN 54 N 9.90 -0.41 0.00 1.45 2.47 -1.26 -4.83 114.94 122.26 1a5j s ASN 54 Ca 1.11 0.79 0.00 0.00 0.42 0.00 0.00 52.86 55.18 1a5j s ASN 54 Cb -0.54 0.79 0.00 0.00 -1.45 0.00 0.00 41.25 40.05 1a5j s ASN 54 CO 0.33 -0.14 0.00 -0.81 -3.72 0.00 0.00 177.10 172.76 1a5j n PRO 55 N 2.95 0.00 -1.34 0.43 -0.04 -1.26 -5.05 135.00 130.69 1a5j n PRO 55 Ca -0.14 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.47 1a5j n PRO 55 Cb 0.57 -0.12 -0.08 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.93 0.00 0.54 2.13 -1.26 -4.97 120.64 114.15 1a5j n GLU 56 Ca 0.00 2.40 0.00 0.00 0.66 0.00 0.00 57.16 60.22 1a5j n GLU 56 Cb 0.00 -3.48 0.00 0.00 0.27 0.00 0.00 31.44 28.23 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 -4.15 0.00 -2.91 6.31 0.31 -1.26 -5.04 118.33 111.59 1a5j n VAL 57 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1a5j n VAL 57 Cb 0.59 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.52 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 0.00 0.00 5.55 5.02 -1.25 -4.89 118.16 122.59 1a5j n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1a5j n LYS 58 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1a5j n LYS 59 N -1.02 0.00 -1.06 1.97 4.01 -1.26 -4.64 118.16 116.17 1a5j n LYS 59 Ca 0.00 0.00 -0.36 0.00 -0.51 0.00 0.00 58.31 57.44 1a5j n LYS 59 Cb 0.00 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 34.57 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 -3.63 -3.97 0.00 4.39 7.64 -1.26 -4.62 113.62 112.18 1a5j n SER 60 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1a5j n SER 60 Cb 0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 1.71 0.00 -3.75 6.43 7.64 -1.26 -4.91 113.62 119.48 1a5j n SER 61 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.62 1a5j n SER 61 Cb 0.53 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.00 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 0.06 0.00 1.43 0.52 -1.26 -4.97 118.94 114.72 1a5j s TRP 62 Ca 0.00 0.67 0.00 0.00 0.02 0.00 0.00 56.10 56.79 1a5j s TRP 62 Cb 0.00 -3.07 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1a5j s TRP 62 CO 0.00 -4.49 0.00 0.25 0.02 0.00 0.00 176.95 172.73 1a5j n THR 63 N -5.27 0.00 0.00 2.01 -2.24 -1.26 -3.81 114.28 103.70 1a5j n THR 63 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1a5j n THR 63 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5j n GLU 64 N 0.00 0.00 -0.35 -0.78 -0.58 -1.26 -2.21 120.64 115.46 1a5j n GLU 64 Ca 0.00 0.10 0.33 0.00 -0.42 0.00 0.00 57.16 57.18 1a5j n GLU 64 Cb 0.00 -0.72 0.69 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.09 -0.15 3.49 5.08 -2.00 1.53 114.58 122.63 1a5j h GLU 65 Ca 0.00 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1a5j h GLU 65 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1a5j h GLU 65 CO 0.00 0.06 -0.30 0.93 -1.00 0.00 0.00 179.01 178.70 1a5j h GLU 66 N 0.10 0.29 0.30 2.33 5.08 -1.98 -1.01 114.58 119.69 1a5j h GLU 66 Ca 0.61 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.84 1a5j h GLU 66 Cb 2.19 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.43 1a5j h GLU 66 CO -0.10 0.57 -0.14 0.22 -1.00 0.00 0.00 179.01 178.56 1a5j h ASP 67 N 0.26 -0.34 0.48 1.42 1.82 0.27 -2.70 116.42 117.62 1a5j h ASP 67 Ca 0.04 -0.19 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 1a5j h ASP 67 Cb 0.67 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 1a5j h ASP 67 CO 0.05 0.05 -0.50 0.03 -1.61 0.00 0.00 179.24 177.26 1a5j h ARG 68 N -0.78 -0.94 -0.88 0.28 2.47 -1.35 -1.59 114.38 111.58 1a5j h ARG 68 Ca -0.04 0.06 0.14 0.00 -1.26 0.00 0.00 59.98 58.89 1a5j h ARG 68 Cb 0.51 0.21 -0.15 0.00 -1.65 0.00 0.00 29.97 28.90 1a5j h ARG 68 CO 0.07 -0.63 -0.32 -0.89 0.56 0.00 0.00 179.97 178.76 1a5j n ILE 69 N -5.45 -0.44 0.00 2.04 5.41 -0.39 0.88 119.36 121.41 1a5j n ILE 69 Ca -0.12 2.06 0.00 0.00 1.00 0.00 0.00 62.75 65.69 1a5j n ILE 69 Cb 0.45 -2.74 0.00 0.00 -0.71 0.00 0.00 39.64 36.64 1a5j n ILE 69 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1a5j n ILE 70 N -5.33 0.00 0.08 1.39 2.08 -0.92 0.33 119.36 117.00 1a5j n ILE 70 Ca 0.10 1.48 0.18 0.00 0.56 0.00 0.00 62.75 65.07 1a5j n ILE 70 Cb 0.37 -2.30 0.52 0.00 -0.75 0.00 0.00 39.64 37.48 1a5j n ILE 70 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1a5j h PHE 71 N 0.00 0.00 0.12 1.39 3.04 -0.00 0.23 116.94 121.72 1a5j h PHE 71 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1a5j h PHE 71 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1a5j h PHE 71 CO -0.19 0.00 -0.06 1.49 -2.02 0.00 0.00 178.31 177.54 1a5j h GLU 72 N 0.00 -0.15 -0.36 1.11 4.81 0.24 -2.77 114.58 117.46 1a5j h GLU 72 Ca 0.22 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.56 1a5j h GLU 72 Cb 1.77 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1a5j h GLU 72 CO -0.00 -0.10 0.34 0.00 -0.73 0.00 0.00 179.01 178.51 1a5j h ALA 73 N -1.24 2.12 0.00 2.92 0.00 0.18 1.38 119.26 124.62 1a5j h ALA 73 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a5j h ALA 73 Cb 0.12 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1a5j h ALA 73 CO 0.03 -0.52 0.00 1.25 0.00 0.00 0.00 179.25 180.00 1a5j h HIS 74 N 0.00 0.00 -0.59 0.00 2.76 -0.69 -1.12 115.15 115.51 1a5j h HIS 74 Ca 0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1a5j h HIS 74 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 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 -2.79 3.97 0.00 5.26 2.85 0.47 -3.63 118.16 124.29 1a5j n LYS 75 Ca 0.03 -2.94 0.00 0.00 -1.05 0.00 0.00 58.31 54.36 1a5j n LYS 75 Cb 0.42 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 32.82 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 0.83 0.00 0.00 0.58 0.31 -0.95 -5.00 118.33 114.10 1a5j n VAL 76 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.59 1a5j n VAL 76 Cb 0.96 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 -2.25 0.00 0.00 7.52 4.32 -0.46 -5.11 117.00 121.02 1a5j n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1a5j n LEU 77 Cb 0.35 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 1a5j n LEU 77 CO 0.00 -0.19 0.00 0.61 -1.22 0.00 0.00 177.39 176.59 1a5j n GLY 78 N 3.13 -0.39 1.30 -0.72 0.00 -1.24 -4.88 105.19 102.39 1a5j n GLY 78 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a5j n GLY 78 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a5j n ASN 79 N 0.00 3.49 -2.99 1.61 0.23 -1.26 -4.48 115.26 111.85 1a5j n ASN 79 Ca 0.00 -2.55 -0.19 0.00 -0.53 0.00 0.00 54.58 51.31 1a5j n ASN 79 Cb 0.00 -0.61 -0.03 0.00 -2.08 0.00 0.00 39.78 37.06 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 0.22 1.87 -0.19 -3.83 3.00 -1.26 -4.50 116.66 111.96 1a5j n ARG 80 Ca 0.17 -1.27 0.19 0.00 -0.01 0.00 0.00 57.85 56.94 1a5j n ARG 80 Cb 0.81 -2.31 0.55 0.00 0.00 0.00 0.00 32.46 31.51 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 5.97 0.41 0.00 -1.55 4.06 -1.88 3.56 115.95 126.52 1a5j h TRP 81 Ca 0.41 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.36 1a5j h TRP 81 Cb 0.28 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 28.32 1a5j h TRP 81 CO 1.86 0.13 -0.08 0.00 -3.56 0.00 0.00 178.44 176.79 1a5j h ALA 82 N 1.63 1.25 -0.00 1.49 0.00 -1.87 -0.42 119.26 121.34 1a5j h ALA 82 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1a5j h ALA 82 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a5j h ALA 82 CO -0.12 0.10 -0.28 0.39 0.00 0.00 0.00 179.25 179.33 1a5j n GLU 83 N -3.55 4.38 0.12 0.00 -0.58 0.55 -4.24 120.64 117.33 1a5j n GLU 83 Ca -0.02 -0.09 -0.24 0.00 -0.42 0.00 0.00 57.16 56.39 1a5j n GLU 83 Cb 0.20 -0.84 -0.16 0.00 -0.57 0.00 0.00 31.44 30.07 1a5j n GLU 83 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1a5j h ILE 84 N 0.14 1.18 -0.04 -3.67 6.09 0.65 -3.29 117.51 118.56 1a5j h ILE 84 Ca 0.00 -2.65 -0.15 0.00 -1.37 0.00 0.00 64.86 60.69 1a5j h ILE 84 Cb 0.17 2.95 -0.01 0.00 0.47 0.00 0.00 36.82 40.40 1a5j h ILE 84 CO 0.00 0.83 -0.65 0.00 -3.07 0.00 0.00 178.15 175.26 1a5j h ALA 85 N 0.16 0.84 -1.61 0.18 0.00 -1.32 -2.98 119.26 114.53 1a5j h ALA 85 Ca -0.28 -0.58 0.47 0.00 0.00 0.00 0.00 54.91 54.52 1a5j h ALA 85 Cb 2.15 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.78 1a5j h ALA 85 CO 0.24 0.77 1.23 0.87 0.00 0.00 0.00 179.25 182.36 1a5j h LYS 86 N 0.12 0.00 0.03 0.00 1.79 -1.74 1.52 116.57 118.30 1a5j h LYS 86 Ca -0.01 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1a5j h LYS 86 Cb 1.16 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.82 1a5j h LYS 86 CO 0.10 0.00 -0.27 -0.07 -1.08 0.00 0.00 179.45 178.13 1a5j h LEU 87 N 0.00 0.18 -8.63 2.94 4.07 -1.69 -3.42 115.31 108.75 1a5j h LEU 87 Ca 0.76 -0.90 -0.67 0.00 0.08 0.00 0.00 57.88 57.15 1a5j h LEU 87 Cb 3.21 -0.06 -0.17 0.00 1.08 0.00 0.00 40.66 44.73 1a5j h LEU 87 CO -0.01 1.07 -0.10 -0.76 -1.08 0.00 0.00 178.44 177.56 1a5j s LEU 88 N -8.27 4.60 0.54 1.67 2.01 0.52 -5.05 118.68 114.70 1a5j s LEU 88 Ca -0.17 -0.38 -0.18 0.00 0.01 0.00 0.00 54.13 53.42 1a5j s LEU 88 Cb -0.01 -2.51 -0.06 0.00 0.01 0.00 0.00 46.19 43.62 1a5j s LEU 88 CO 0.74 -0.57 1.04 -2.16 1.01 0.00 0.00 176.35 176.41 1a5j s PRO 89 N 2.34 3.58 0.00 1.29 0.04 -1.25 -3.49 135.00 137.51 1a5j s PRO 89 Ca 0.16 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1a5j s PRO 89 Cb -0.16 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1a5j s PRO 89 CO 0.14 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 177.00 1a5j n GLY 90 N -0.68 2.74 3.71 0.56 0.00 -1.26 -4.99 105.19 105.27 1a5j n GLY 90 Ca 0.09 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 3.60 0.00 1.61 1.81 -1.23 -5.10 118.95 119.64 1a5j s ARG 91 Ca 0.00 -0.30 0.00 0.00 -1.72 0.00 0.00 55.73 53.71 1a5j s ARG 91 Cb 0.00 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.39 1a5j s ARG 91 CO 0.00 0.51 0.00 0.25 -0.68 0.00 0.00 175.30 175.38 1a5j n THR 92 N 2.80 0.00 -0.04 0.02 -2.24 -1.26 -4.67 114.28 108.88 1a5j n THR 92 Ca -0.18 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.42 1a5j n THR 92 Cb 0.53 -0.51 -0.13 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.16 0.19 3.42 2.03 -1.92 -3.19 116.42 117.11 1a5j h ASP 93 Ca 0.00 -0.85 0.00 0.00 -0.73 0.00 0.00 57.03 55.45 1a5j h ASP 93 Cb 0.00 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.45 1a5j h ASP 93 CO 0.00 1.31 0.00 0.59 -1.03 0.00 0.00 179.24 180.11 1a5j n ASN 94 N -4.35 0.53 0.01 4.15 3.02 -1.26 -0.64 115.26 116.72 1a5j n ASN 94 Ca -0.19 0.71 -0.01 0.00 -0.03 0.00 0.00 54.58 55.06 1a5j n ASN 94 Cb 0.67 -0.79 -0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1a5j n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5j h ALA 95 N 2.08 -0.19 0.31 5.41 0.00 -1.93 -2.94 119.26 121.99 1a5j h ALA 95 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a5j h ALA 95 Cb 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1a5j h ALA 95 CO 0.00 -0.19 -0.26 0.28 0.00 0.00 0.00 179.25 179.08 1a5j h VAL 96 N -0.28 0.45 -0.96 0.00 2.07 -1.50 0.78 116.25 116.82 1a5j h VAL 96 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1a5j h VAL 96 Cb 0.05 0.45 -0.13 0.00 -1.52 0.00 0.00 31.29 30.14 1a5j h VAL 96 CO 0.01 0.00 -0.49 1.17 0.02 0.00 0.00 177.57 178.29 1a5j n LYS 97 N -5.38 -0.34 -0.22 1.57 4.81 0.18 0.15 118.16 118.93 1a5j n LYS 97 Ca -0.09 1.46 -0.04 0.00 -0.87 0.00 0.00 58.31 58.77 1a5j n LYS 97 Cb 0.29 -2.16 0.06 0.00 0.02 0.00 0.00 35.03 33.25 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 0.64 -0.03 3.14 -0.73 -1.29 0.16 115.58 117.47 1a5j h ASN 98 Ca 0.23 0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.41 1a5j h ASN 98 Cb 0.47 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 38.92 1a5j h ASN 98 CO -0.92 0.44 0.10 -0.74 -0.37 0.00 0.00 177.43 175.94 1a5j h HIS 99 N 0.77 0.00 -0.23 0.67 2.76 0.39 0.38 115.15 119.88 1a5j h HIS 99 Ca 0.25 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1a5j h HIS 99 Cb 0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1a5j h HIS 99 CO -0.05 0.00 -0.05 2.35 -1.30 0.00 0.00 177.93 178.88 1a5j h TRP 100 N 0.00 0.50 -0.04 5.26 -0.00 0.32 -2.40 115.95 119.59 1a5j h TRP 100 Ca 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 58.89 58.80 1a5j h TRP 100 Cb 0.22 -0.12 0.00 0.00 -0.00 0.00 0.00 29.16 29.26 1a5j h TRP 100 CO 0.00 0.67 0.00 0.09 -0.00 0.00 0.00 178.44 179.20 1a5j n ASN 101 N -4.58 1.44 0.00 2.65 3.02 0.29 -3.14 115.26 114.94 1a5j n ASN 101 Ca -0.04 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1a5j n ASN 101 Cb 0.29 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 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 0.14 0.00 0.00 6.41 7.64 0.11 -4.81 113.62 123.10 1a5j n SER 102 Ca 0.19 0.09 0.00 0.00 1.01 0.00 0.00 58.87 60.16 1a5j n SER 102 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.32 0.00 -0.72 0.44 -1.04 -1.18 -4.72 114.28 106.75 1a5j n THR 103 Ca 0.00 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.05 61.52 1a5j n THR 103 Cb 0.00 1.12 0.04 0.00 -1.82 0.00 0.00 70.33 69.67 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 -0.41 2.58 -3.21 12.58 5.41 -1.13 -4.81 119.36 130.37 1a5j n ILE 104 Ca 0.00 -1.42 0.00 0.00 1.00 0.00 0.00 62.75 62.33 1a5j n ILE 104 Cb 0.03 -1.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 1a5j n ILE 104 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1a5j n LYS 105 N 0.39 1.64 0.00 0.38 4.76 -1.19 -4.73 118.16 119.40 1a5j n LYS 105 Ca 0.26 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1a5j n LYS 105 Cb 0.63 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.82 1a5j n LYS 105 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1a5j n ARG 106 N -0.56 0.00 -0.64 1.97 1.74 -1.26 -4.61 116.66 113.30 1a5j n ARG 106 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1a5j n ARG 106 Cb 0.00 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.36 1a5j n ARG 106 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1a5j n LYS 107 N -1.32 1.73 0.07 5.56 4.81 -1.26 -3.56 118.16 124.19 1a5j n LYS 107 Ca 0.00 -1.32 0.00 0.00 -0.87 0.00 0.00 58.31 56.12 1a5j n LYS 107 Cb 0.00 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 32.65 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 4.41 0.93 -4.07 3.15 0.31 -1.26 -5.03 118.33 116.77 1a5j n VAL 108 Ca 0.38 0.31 -0.38 0.00 -0.01 0.00 0.00 64.34 64.64 1a5j n VAL 108 Cb 0.12 -1.32 -0.01 0.00 -0.91 0.00 0.00 33.84 31.72 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 -3.47 -2.23 0.00 4.52 2.03 -1.23 -5.13 116.55 111.03 1a5j n ASP 109 Ca 0.00 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 54.16 1a5j n ASP 109 Cb 0.00 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.01 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35