#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 -0.37 -2.00 -0.61 -5.25 -1.26 -4.99 121.20 106.72 1a5j s ILE 2 Ca 0.00 -0.14 0.22 0.00 -0.99 0.00 0.00 60.65 59.74 1a5j s ILE 2 Cb 0.00 -0.73 0.61 0.00 2.95 0.00 0.00 42.46 45.30 1a5j s ILE 2 CO 0.00 -0.22 1.69 -0.81 -1.79 0.00 0.00 174.94 173.82 1a5j n PRO 3 N 5.33 0.75 -4.45 0.37 -0.04 -1.26 -4.52 135.00 131.18 1a5j n PRO 3 Ca -0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 1a5j n PRO 3 Cb 0.49 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.92 4.41 -0.06 3.54 2.15 -1.26 -4.42 116.67 119.10 1a5j s ASP 4 Ca 0.32 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1a5j s ASP 4 Cb 0.15 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.84 1a5j s ASP 4 CO 0.25 0.25 0.00 0.18 -0.17 0.00 0.00 175.17 175.68 1a5j n LEU 5 N 1.35 0.17 0.00 -1.34 4.77 -1.26 -4.94 117.00 115.75 1a5j n LEU 5 Ca -0.15 0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1a5j n LEU 5 Cb 0.52 -0.99 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1a5j n LEU 5 CO 0.31 -0.24 0.00 0.52 -1.33 0.00 0.00 177.39 176.65 1a5j n VAL 6 N -2.77 0.00 -2.56 4.08 0.31 -1.26 -4.37 118.33 111.76 1a5j n VAL 6 Ca -0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1a5j n VAL 6 Cb 0.12 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.05 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 -3.52 118.16 121.12 1a5j n LYS 7 Ca 0.00 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1a5j n LYS 7 Cb 0.00 -4.12 0.00 0.00 -1.84 0.00 0.00 35.03 29.07 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 -0.52 0.83 3.76 0.72 0.00 -1.26 -5.11 105.19 103.61 1a5j n GLY 8 Ca 0.01 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.18 4.51 -0.10 1.61 0.04 -1.23 -5.02 135.00 134.62 1a5j s PRO 9 Ca 0.00 1.70 -0.19 0.00 0.04 0.00 0.00 61.00 62.55 1a5j s PRO 9 Cb 0.00 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.50 1a5j s PRO 9 CO 0.00 0.12 0.51 -1.58 0.04 0.00 0.00 177.00 176.09 1a5j s TRP 10 N -1.31 3.54 0.00 0.56 0.52 -1.26 -5.02 118.94 115.97 1a5j s TRP 10 Ca 0.48 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.56 1a5j s TRP 10 Cb -0.29 -2.58 0.00 0.00 -1.15 0.00 0.00 33.47 29.46 1a5j s TRP 10 CO 0.36 0.19 0.00 0.25 0.02 0.00 0.00 176.95 177.77 1a5j n THR 11 N 3.54 0.00 -0.34 2.01 -2.24 -1.26 -4.89 114.28 111.11 1a5j n THR 11 Ca -0.07 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1a5j n THR 11 Cb 0.52 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 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 -0.35 -0.45 -0.78 0.00 -1.26 0.28 118.16 115.59 1a5j n LYS 12 Ca 0.00 1.36 0.38 0.00 0.00 0.00 0.00 58.31 60.04 1a5j n LYS 12 Cb 0.00 -2.00 0.68 0.00 0.00 0.00 0.00 35.03 33.71 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 0.10 -0.71 1.64 4.22 -2.00 1.73 114.58 119.56 1a5j h GLU 13 Ca 0.13 -0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.51 1a5j h GLU 13 Cb 0.33 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1a5j h GLU 13 CO -0.75 0.06 0.24 1.05 -2.18 0.00 0.00 179.01 177.44 1a5j h GLU 14 N 0.10 1.07 -0.27 1.92 4.11 0.36 -1.99 114.58 119.88 1a5j h GLU 14 Ca 0.76 -0.21 -0.08 0.00 0.07 0.00 0.00 59.36 59.91 1a5j h GLU 14 Cb 2.59 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 31.66 1a5j h GLU 14 CO -0.24 0.90 -0.16 -0.44 0.07 0.00 0.00 179.01 179.14 1a5j h ASP 15 N 1.04 0.46 -0.06 3.06 3.32 0.31 -1.85 116.42 122.71 1a5j h ASP 15 Ca 0.23 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1a5j h ASP 15 Cb 0.26 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1a5j h ASP 15 CO -0.01 0.65 0.05 0.06 -1.72 0.00 0.00 179.24 178.27 1a5j h GLN 16 N 0.44 0.00 -0.05 3.56 -0.00 -0.70 -1.42 115.11 116.93 1a5j h GLN 16 Ca 0.08 0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 1a5j h GLN 16 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.02 1a5j h GLN 16 CO 0.03 0.00 -0.27 -0.22 -0.00 0.00 0.00 178.83 178.38 1a5j h LYS 17 N 0.00 0.27 -0.31 0.06 3.64 -1.18 -2.68 116.57 116.38 1a5j h LYS 17 Ca 0.03 -0.23 0.09 0.00 -1.27 0.00 0.00 60.65 59.27 1a5j h LYS 17 Cb 0.14 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1a5j h LYS 17 CO -0.00 0.88 0.31 0.28 -2.27 0.00 0.00 179.45 178.65 1a5j h VAL 18 N -0.26 0.47 0.23 2.00 2.07 -1.12 0.99 116.25 120.63 1a5j h VAL 18 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1a5j h VAL 18 Cb 0.93 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1a5j h VAL 18 CO 0.06 0.00 -0.11 0.40 0.02 0.00 0.00 177.57 177.94 1a5j h ILE 19 N 0.00 0.54 0.00 4.57 5.03 -1.24 -2.41 117.51 124.00 1a5j h ILE 19 Ca 0.15 -0.97 -0.01 0.00 -0.12 0.00 0.00 64.86 63.90 1a5j h ILE 19 Cb 0.77 0.91 -0.00 0.00 -3.03 0.00 0.00 36.82 35.46 1a5j h ILE 19 CO -0.00 0.14 -0.07 -0.08 -0.68 0.00 0.00 178.15 177.46 1a5j h GLU 20 N -0.96 0.00 0.42 2.37 4.81 -0.89 -2.10 114.58 118.22 1a5j h GLU 20 Ca -0.03 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1a5j h GLU 20 Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1a5j h GLU 20 CO 0.05 0.07 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.13 1a5j h LEU 21 N 0.00 -0.48 -2.68 1.64 3.38 0.98 -0.76 115.31 117.40 1a5j h LEU 21 Ca -0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1a5j h LEU 21 Cb 0.35 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1a5j h LEU 21 CO 0.01 -0.08 -0.00 0.58 0.09 0.00 0.00 178.44 179.03 1a5j h VAL 22 N -0.95 0.05 0.03 1.22 2.07 -1.22 0.87 116.25 118.31 1a5j h VAL 22 Ca -0.06 -0.10 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 1a5j h VAL 22 Cb 0.56 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1a5j h VAL 22 CO 0.09 0.00 -0.97 0.11 0.02 0.00 0.00 177.57 176.83 1a5j h LYS 23 N 0.00 0.27 0.00 1.57 1.57 -1.09 1.06 116.57 119.95 1a5j h LYS 23 Ca -0.00 -0.33 -0.16 0.00 -1.87 0.00 0.00 60.65 58.29 1a5j h LYS 23 Cb 0.10 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1a5j h LYS 23 CO 0.00 1.05 -1.29 -0.22 -0.57 0.00 0.00 179.45 178.42 1a5j h LYS 24 N 0.14 0.00 0.00 3.15 3.64 0.64 -3.38 116.57 120.76 1a5j h LYS 24 Ca -0.07 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1a5j h LYS 24 Cb 1.62 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.42 1a5j h LYS 24 CO 0.16 0.32 -0.85 1.88 -2.27 0.00 0.00 179.45 178.68 1a5j h TYR 25 N 0.00 0.00 0.00 1.91 -1.99 0.64 -3.51 116.97 114.02 1a5j h TYR 25 Ca -0.14 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1a5j h TYR 25 Cb 1.56 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.29 1a5j h TYR 25 CO 0.00 0.99 0.00 0.41 -0.00 0.00 0.00 178.16 179.56 1a5j n GLY 26 N 1.52 0.42 1.79 3.88 0.00 0.36 -4.89 105.19 108.28 1a5j n GLY 26 Ca -0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 1a5j n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5j n THR 27 N 0.00 0.00 -2.04 2.61 -2.24 -1.25 -4.37 114.28 106.98 1a5j n THR 27 Ca 0.00 -0.23 -0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1a5j n THR 27 Cb 0.00 0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 68.82 1a5j n THR 27 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a5j n LYS 28 N -0.33 0.00 -2.82 -0.78 4.01 -1.26 -4.94 118.16 112.05 1a5j n LYS 28 Ca -0.05 -0.65 -0.24 0.00 -0.51 0.00 0.00 58.31 56.86 1a5j n LYS 28 Cb 0.58 -0.13 -0.02 0.00 -0.51 0.00 0.00 35.03 34.96 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1a5j n GLN 29 N 0.04 2.79 0.22 1.97 6.02 -1.26 -4.84 117.38 122.32 1a5j n GLN 29 Ca -0.03 -4.41 0.17 0.00 -0.01 0.00 0.00 57.00 52.72 1a5j n GLN 29 Cb 0.65 -2.08 0.71 0.00 1.02 0.00 0.00 30.24 30.54 1a5j n GLN 29 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1a5j h TRP 30 N 2.87 0.00 -0.61 1.08 4.06 -1.95 0.60 115.95 122.00 1a5j h TRP 30 Ca 0.15 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 61.08 1a5j h TRP 30 Cb 0.75 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.88 1a5j h TRP 30 CO 0.75 0.00 0.26 0.00 -3.56 0.00 0.00 178.44 175.89 1a5j h THR 31 N 0.00 1.22 0.00 1.49 1.03 -1.91 -0.88 112.91 113.86 1a5j h THR 31 Ca 0.10 -0.67 0.00 0.00 -0.01 0.00 0.00 66.41 65.83 1a5j h THR 31 Cb 1.04 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1a5j h THR 31 CO -0.00 0.27 0.38 0.17 -0.01 0.00 0.00 175.52 176.33 1a5j h LEU 32 N 0.84 0.00 0.00 0.00 8.10 -0.18 3.32 115.31 127.39 1a5j h LEU 32 Ca 0.20 0.00 -0.24 0.00 0.11 0.00 0.00 57.88 57.95 1a5j h LEU 32 Cb 0.17 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.35 1a5j h LEU 32 CO -0.02 0.00 -1.34 -0.38 -4.11 0.00 0.00 178.44 172.59 1a5j n ILE 33 N -2.76 1.53 0.49 0.15 -0.00 -0.40 -2.79 119.36 115.58 1a5j n ILE 33 Ca -0.02 -0.05 0.04 0.00 -0.00 0.00 0.00 62.75 62.72 1a5j n ILE 33 Cb 0.42 -2.04 0.16 0.00 -0.00 0.00 0.00 39.64 38.18 1a5j n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a5j n ALA 34 N -3.49 2.85 -0.02 -1.39 0.00 0.27 -2.13 120.51 116.60 1a5j n ALA 34 Ca -0.33 -0.72 -0.03 0.00 0.00 0.00 0.00 53.44 52.37 1a5j n ALA 34 Cb 0.69 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 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 0.33 0.69 0.05 0.00 0.00 1.08 -4.70 118.16 115.61 1a5j n LYS 35 Ca 0.11 0.02 -0.22 0.00 0.00 0.00 0.00 58.31 58.22 1a5j n LYS 35 Cb 0.51 -1.08 -0.15 0.00 0.00 0.00 0.00 35.03 34.31 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 0.62 -1.51 5.64 3.86 -1.57 -3.37 115.15 118.82 1a5j h HIS 36 Ca -0.09 -0.45 -0.76 0.00 -1.16 0.00 0.00 60.37 57.91 1a5j h HIS 36 Cb 1.15 -0.02 -0.16 0.00 1.06 0.00 0.00 27.41 29.43 1a5j h HIS 36 CO 0.00 1.58 1.99 1.28 0.86 0.00 0.00 177.93 183.65 1a5j n LEU 37 N -3.79 7.32 -4.56 2.43 4.77 -0.91 -4.92 117.00 117.33 1a5j n LEU 37 Ca -0.23 -4.87 -0.23 0.00 -0.03 0.00 0.00 56.01 50.64 1a5j n LEU 37 Cb 0.98 -1.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1a5j n LEU 37 CO 0.48 1.77 1.31 -0.75 -1.33 0.00 0.00 177.39 178.87 1a5j s LYS 38 N -1.01 2.31 0.00 3.23 2.47 -1.26 -3.67 119.74 121.81 1a5j s LYS 38 Ca 0.45 -0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.74 1a5j s LYS 38 Cb 0.14 -5.00 0.00 0.00 -1.46 0.00 0.00 37.83 31.51 1a5j s LYS 38 CO -0.04 -3.67 0.00 0.41 0.16 0.00 0.00 175.35 172.21 1a5j n GLY 39 N 6.82 0.00 0.00 5.54 0.00 -1.26 -4.95 105.19 111.33 1a5j n GLY 39 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1a5j n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5j n ARG 40 N 0.00 -1.81 0.00 1.61 5.12 -1.24 -4.96 116.66 115.38 1a5j n ARG 40 Ca 0.00 0.00 0.16 0.00 -1.93 0.00 0.00 57.85 56.08 1a5j n ARG 40 Cb 0.00 0.00 0.88 0.00 -1.16 0.00 0.00 32.46 32.18 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1a5j n LEU 41 N 0.00 0.01 -2.00 0.55 7.99 -1.26 -4.86 117.00 117.42 1a5j n LEU 41 Ca 0.00 0.10 -0.06 0.00 -0.01 0.00 0.00 56.01 56.04 1a5j n LEU 41 Cb 0.00 -0.11 -0.01 0.00 -0.11 0.00 0.00 43.42 43.19 1a5j n LEU 41 CO 0.00 0.00 -0.07 0.61 -1.51 0.00 0.00 177.39 176.42 1a5j n GLY 42 N 1.11 -0.10 0.00 -0.72 0.00 -1.26 -4.74 105.19 99.48 1a5j n GLY 42 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.21 3.15 -2.25 1.61 4.81 -1.26 -3.37 118.16 118.64 1a5j n LYS 43 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 1a5j n LYS 43 Cb 0.43 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.48 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 -0.25 0.00 1.64 7.27 -1.26 -4.89 117.38 119.89 1a5j n GLN 44 Ca 0.00 0.54 0.00 0.00 0.07 0.00 0.00 57.00 57.61 1a5j n GLN 44 Cb 0.00 -0.63 0.00 0.00 2.41 0.00 0.00 30.24 32.02 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 -2.29 0.11 0.00 0.00 1.74 -1.26 -3.16 116.66 111.80 1a5j n ARG 46 Ca 0.00 -1.41 0.00 0.00 -0.77 0.00 0.00 57.85 55.67 1a5j n ARG 46 Cb 0.00 -3.52 0.00 0.00 -1.02 0.00 0.00 32.46 27.92 1a5j n ARG 46 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1a5j n GLU 47 N 7.67 0.00 0.06 5.56 2.13 -1.26 -4.54 120.64 130.26 1a5j n GLU 47 Ca 0.36 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.08 1a5j n GLU 47 Cb 0.47 -0.06 0.01 0.00 0.27 0.00 0.00 31.44 32.13 1a5j n GLU 47 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5j h ARG 48 N 0.00 0.36 0.00 5.31 2.47 -1.91 -3.28 114.38 117.32 1a5j h ARG 48 Ca 0.00 -0.32 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1a5j h ARG 48 Cb 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1a5j h ARG 48 CO 0.00 0.98 -0.48 -2.67 0.56 0.00 0.00 179.97 178.36 1a5j n TRP 49 N -3.79 0.00 0.00 3.04 2.14 -1.26 -4.60 117.44 112.97 1a5j n TRP 49 Ca -0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.52 1a5j n TRP 49 Cb 0.75 -0.02 0.00 0.00 -0.81 0.00 0.00 31.31 31.22 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 -1.25 0.00 -0.87 -2.67 -0.00 -1.24 -4.51 115.22 104.68 1a5j n HIS 50 Ca 0.01 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.95 1a5j n HIS 50 Cb 0.13 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.96 1a5j n HIS 50 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1a5j n ASN 51 N 0.00 5.66 -0.02 0.26 3.02 -1.25 -3.54 115.26 119.39 1a5j n ASN 51 Ca 0.00 -2.36 -0.02 0.00 -0.03 0.00 0.00 54.58 52.17 1a5j n ASN 51 Cb 0.00 -1.19 -0.02 0.00 -0.61 0.00 0.00 39.78 37.96 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a5j n HIS 52 N 3.74 0.00 -1.46 3.10 8.25 -1.25 -4.95 115.22 122.65 1a5j n HIS 52 Ca 0.50 0.00 -0.57 0.00 -0.26 0.00 0.00 57.72 57.39 1a5j n HIS 52 Cb 0.26 -0.13 -0.08 0.00 1.12 0.00 0.00 29.99 31.16 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1a5j n LEU 53 N -2.43 0.10 -4.09 2.41 0.00 -1.23 -4.92 117.00 106.84 1a5j n LEU 53 Ca -0.05 1.11 -0.32 0.00 0.00 0.00 0.00 56.01 56.75 1a5j n LEU 53 Cb 0.57 -0.88 -0.15 0.00 0.00 0.00 0.00 43.42 42.96 1a5j n LEU 53 CO 0.04 -1.73 -0.49 0.21 0.00 0.00 0.00 177.39 175.42 1a5j s ASN 54 N 0.27 3.82 0.00 1.96 2.47 -1.26 -5.05 114.94 117.15 1a5j s ASN 54 Ca 0.88 -1.05 0.00 0.00 0.42 0.00 0.00 52.86 53.12 1a5j s ASN 54 Cb -1.24 -1.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.06 1a5j s ASN 54 CO 0.57 -0.11 0.05 -0.81 -3.72 0.00 0.00 177.10 173.09 1a5j n PRO 55 N 4.53 0.00 -1.23 0.43 -0.04 -1.26 -5.04 135.00 132.38 1a5j n PRO 55 Ca -0.17 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1a5j n PRO 55 Cb 0.46 -0.34 -0.07 0.00 -0.04 0.00 0.00 33.50 33.51 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 -0.21 -2.53 -0.55 0.54 2.13 -1.26 -4.25 120.64 114.50 1a5j n GLU 56 Ca 0.00 2.03 -0.05 0.00 0.66 0.00 0.00 57.16 59.80 1a5j n GLU 56 Cb 0.00 -3.09 0.15 0.00 0.27 0.00 0.00 31.44 28.76 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 -3.98 1.80 -0.45 6.31 0.31 -1.26 -4.97 118.33 116.09 1a5j n VAL 57 Ca -0.06 -0.86 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 1a5j n VAL 57 Cb 0.56 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 -0.03 -1.29 -1.98 5.55 5.02 -1.26 -4.19 118.16 119.98 1a5j n LYS 58 Ca 0.23 0.95 -0.35 0.00 -2.02 0.00 0.00 58.31 57.12 1a5j n LYS 58 Cb 0.93 -1.06 0.03 0.00 -0.02 0.00 0.00 35.03 34.91 1a5j n LYS 58 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5j s LYS 59 N -4.71 2.98 0.00 1.97 1.02 -1.26 -3.35 119.74 116.39 1a5j s LYS 59 Ca 0.00 1.64 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1a5j s LYS 59 Cb 0.00 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1a5j s LYS 59 CO 0.00 -1.15 0.00 -1.13 -0.92 0.00 0.00 175.35 172.15 1a5j n SER 60 N -1.80 0.00 -3.67 2.83 3.41 -1.26 -4.90 113.62 108.23 1a5j n SER 60 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1a5j n SER 60 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 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 3.42 0.00 -3.84 4.04 7.64 -1.21 -4.99 113.62 118.68 1a5j n SER 61 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1a5j n SER 61 Cb 0.00 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.20 0.00 1.43 0.52 -1.26 -4.96 118.94 114.87 1a5j s TRP 62 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 56.10 56.85 1a5j s TRP 62 Cb 0.00 -3.05 0.00 0.00 -1.15 0.00 0.00 33.47 29.27 1a5j s TRP 62 CO 0.00 -4.45 0.00 0.25 0.02 0.00 0.00 176.95 172.77 1a5j n THR 63 N -5.26 0.00 0.00 2.01 -2.24 -1.26 -4.38 114.28 103.15 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 0.58 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 -0.39 -0.78 -0.58 -1.26 -2.63 120.64 115.00 1a5j n GLU 64 Ca 0.00 0.00 0.37 0.00 -0.42 0.00 0.00 57.16 57.11 1a5j n GLU 64 Cb 0.00 -0.48 0.73 0.00 -0.57 0.00 0.00 31.44 31.12 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 0.05 -0.42 3.49 5.08 -2.00 1.33 114.58 122.12 1a5j h GLU 65 Ca 0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1a5j h GLU 65 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1a5j h GLU 65 CO 0.00 0.03 -0.21 0.93 -1.00 0.00 0.00 179.01 178.77 1a5j h GLU 66 N 0.05 0.83 0.11 2.33 5.08 -1.98 -0.96 114.58 120.04 1a5j h GLU 66 Ca 0.64 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1a5j h GLU 66 Cb 2.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.65 1a5j h GLU 66 CO -0.07 0.97 -0.05 0.22 -1.00 0.00 0.00 179.01 179.07 1a5j h ASP 67 N 0.73 -0.13 0.54 1.42 3.58 0.20 -2.67 116.42 120.09 1a5j h ASP 67 Ca 0.10 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.37 1a5j h ASP 67 Cb 0.73 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1a5j h ASP 67 CO 0.06 0.09 -0.43 0.03 -2.88 0.00 0.00 179.24 176.10 1a5j h ARG 68 N -0.34 -0.91 -0.85 0.28 3.08 -1.31 -1.64 114.38 112.69 1a5j h ARG 68 Ca -0.02 0.06 0.30 0.00 0.07 0.00 0.00 59.98 60.39 1a5j h ARG 68 Cb 0.28 0.21 -0.16 0.00 0.08 0.00 0.00 29.97 30.39 1a5j h ARG 68 CO 0.03 -0.61 0.24 -0.89 -1.07 0.00 0.00 179.97 177.66 1a5j n ILE 69 N -5.10 -0.36 0.00 2.04 5.41 -0.37 0.91 119.36 121.89 1a5j n ILE 69 Ca -0.11 1.80 0.00 0.00 1.00 0.00 0.00 62.75 65.43 1a5j n ILE 69 Cb 0.42 -2.77 0.00 0.00 -0.71 0.00 0.00 39.64 36.58 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 -5.07 0.00 0.17 1.39 2.08 -0.75 0.51 119.36 117.69 1a5j n ILE 70 Ca 0.26 1.39 0.16 0.00 0.56 0.00 0.00 62.75 65.12 1a5j n ILE 70 Cb 0.88 -2.38 0.54 0.00 -0.75 0.00 0.00 39.64 37.93 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 0.00 1.39 3.04 0.18 0.20 116.94 121.75 1a5j h PHE 71 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 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 0.20 0.00 0.00 -1.91 -2.02 0.00 0.00 178.31 174.58 1a5j n GLU 72 N -3.08 0.00 0.02 1.11 2.13 0.26 -2.88 120.64 118.20 1a5j n GLU 72 Ca 0.06 0.47 0.22 0.00 0.66 0.00 0.00 57.16 58.57 1a5j n GLU 72 Cb 0.80 -0.97 0.60 0.00 0.27 0.00 0.00 31.44 32.13 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5j h ALA 73 N -2.00 2.35 -0.25 4.31 0.00 0.81 1.35 119.26 125.84 1a5j h ALA 73 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1a5j h ALA 73 Cb 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5j h ALA 73 CO 0.00 -1.06 -0.30 1.25 0.00 0.00 0.00 179.25 179.15 1a5j h HIS 74 N 0.00 0.77 -0.17 0.00 -0.00 -0.74 -0.03 115.15 114.98 1a5j h HIS 74 Ca 0.28 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1a5j h HIS 74 Cb 1.79 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 29.04 1a5j h HIS 74 CO 0.00 0.98 0.00 0.36 -0.00 0.00 0.00 177.93 179.27 1a5j n LYS 75 N -4.30 1.46 -0.01 5.26 2.85 0.45 -1.36 118.16 122.51 1a5j n LYS 75 Ca -0.05 -0.71 0.04 0.00 -1.05 0.00 0.00 58.31 56.54 1a5j n LYS 75 Cb 0.47 -1.22 -0.07 0.00 -0.65 0.00 0.00 35.03 33.57 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 0.03 0.03 0.00 0.58 0.31 -0.21 -4.92 118.33 114.16 1a5j n VAL 76 Ca 0.09 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1a5j n VAL 76 Cb 0.19 0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 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 -1.84 0.00 0.00 7.52 4.77 -0.07 -5.05 117.00 122.34 1a5j n LEU 77 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1a5j n LEU 77 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1a5j n LEU 77 CO 0.19 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1a5j n GLY 78 N 2.45 2.67 2.19 -0.72 0.00 -0.47 -4.87 105.19 106.44 1a5j n GLY 78 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.80 -2.44 1.61 6.94 -1.26 -4.67 115.26 114.63 1a5j n ASN 79 Ca 0.00 0.40 -0.19 0.00 -0.02 0.00 0.00 54.58 54.77 1a5j n ASN 79 Cb 0.00 -0.89 -0.11 0.00 -2.36 0.00 0.00 39.78 36.42 1a5j n ASN 79 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1a5j n ARG 80 N -2.17 2.32 -0.30 -3.83 3.00 -1.26 -4.52 116.66 109.90 1a5j n ARG 80 Ca 0.00 -1.28 0.15 0.00 -0.01 0.00 0.00 57.85 56.72 1a5j n ARG 80 Cb 0.40 -2.20 0.41 0.00 0.00 0.00 0.00 32.46 31.07 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 3.91 0.81 0.00 -1.55 4.06 -1.90 2.38 115.95 123.66 1a5j h TRP 81 Ca 0.37 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.35 1a5j h TRP 81 Cb 1.02 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1a5j h TRP 81 CO 1.78 0.21 0.00 0.00 -3.56 0.00 0.00 178.44 176.87 1a5j h ALA 82 N 1.62 1.00 0.00 1.49 0.00 -1.79 -1.12 119.26 120.45 1a5j h ALA 82 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 1a5j h ALA 82 Cb 0.99 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1a5j h ALA 82 CO -0.27 0.00 -1.46 0.39 0.00 0.00 0.00 179.25 177.91 1a5j n GLU 83 N -2.31 2.08 -0.12 0.00 -0.58 0.69 -4.08 120.64 116.33 1a5j n GLU 83 Ca -0.01 -0.02 -0.09 0.00 -0.42 0.00 0.00 57.16 56.61 1a5j n GLU 83 Cb 0.07 -1.19 -0.01 0.00 -0.57 0.00 0.00 31.44 29.73 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 1.18 -0.19 -3.67 1.08 0.28 -2.72 117.51 113.47 1a5j h ILE 84 Ca -0.14 -0.55 -0.18 0.00 -0.39 0.00 0.00 64.86 63.60 1a5j h ILE 84 Cb 1.15 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1a5j h ILE 84 CO 0.01 0.20 -0.61 0.00 -0.69 0.00 0.00 178.15 177.06 1a5j h ALA 85 N 1.00 0.57 -1.80 1.87 0.00 -1.42 -2.99 119.26 116.49 1a5j h ALA 85 Ca 0.12 -0.54 0.54 0.00 0.00 0.00 0.00 54.91 55.03 1a5j h ALA 85 Cb 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1a5j h ALA 85 CO -0.01 0.70 1.28 1.63 0.00 0.00 0.00 179.25 182.84 1a5j n LYS 86 N -3.95 -0.01 -0.05 0.00 4.76 -1.03 0.20 118.16 118.09 1a5j n LYS 86 Ca -0.04 1.08 -0.12 0.00 -2.87 0.00 0.00 58.31 56.36 1a5j n LYS 86 Cb 0.64 -2.41 -0.11 0.00 -1.84 0.00 0.00 35.03 31.32 1a5j n LYS 86 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1a5j h LEU 87 N 0.00 -0.01 -8.52 -0.35 6.46 -1.53 -3.42 115.31 107.93 1a5j h LEU 87 Ca 0.90 -0.78 -0.70 0.00 -0.12 0.00 0.00 57.88 57.18 1a5j h LEU 87 Cb 3.48 0.00 -0.22 0.00 -0.73 0.00 0.00 40.66 43.20 1a5j h LEU 87 CO -0.10 0.84 -0.48 -0.76 -0.62 0.00 0.00 178.44 177.32 1a5j s LEU 88 N -8.41 4.70 -0.02 2.25 2.01 0.55 -5.06 118.68 114.71 1a5j s LEU 88 Ca -0.16 -0.76 -0.30 0.00 0.01 0.00 0.00 54.13 52.93 1a5j s LEU 88 Cb -0.02 -2.09 -0.04 0.00 0.01 0.00 0.00 46.19 44.05 1a5j s LEU 88 CO 0.58 -0.34 1.21 -2.16 1.01 0.00 0.00 176.35 176.65 1a5j s PRO 89 N 1.64 4.37 0.00 1.29 0.04 -1.23 -3.37 135.00 137.75 1a5j s PRO 89 Ca 0.04 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1a5j s PRO 89 Cb -0.18 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1a5j s PRO 89 CO 0.09 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1a5j n GLY 90 N 3.33 1.28 0.00 0.56 0.00 -1.26 -4.96 105.19 104.14 1a5j n GLY 90 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.30 5.17 0.00 1.61 3.00 -1.22 -4.99 116.66 119.93 1a5j n ARG 91 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1a5j n ARG 91 Cb 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 32.46 31.74 1a5j n ARG 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1a5j n THR 92 N -1.15 0.00 0.00 0.55 -2.24 -1.26 -2.32 114.28 107.86 1a5j n THR 92 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1a5j n THR 92 Cb 0.06 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 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 2.04 0.00 0.25 3.42 5.75 -1.26 -4.26 116.55 122.49 1a5j n ASP 93 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 54.92 1a5j n ASP 93 Cb 0.00 0.24 0.82 0.00 -1.03 0.00 0.00 41.12 41.15 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 0.45 -1.12 7.08 -1.92 0.37 115.58 120.44 1a5j h ASN 94 Ca 0.00 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.20 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 -0.22 0.00 -2.08 0.00 0.00 177.43 175.13 1a5j h ALA 95 N 1.94 -0.96 0.92 4.14 0.00 -1.80 0.46 119.26 123.95 1a5j h ALA 95 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1a5j h ALA 95 Cb 0.16 0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a5j h ALA 95 CO -0.00 -0.92 -0.44 0.28 0.00 0.00 0.00 179.25 178.17 1a5j h VAL 96 N -0.72 0.03 -0.92 0.00 2.07 -1.59 0.95 116.25 116.06 1a5j h VAL 96 Ca -0.06 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.46 1a5j h VAL 96 Cb 0.47 0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 30.15 1a5j h VAL 96 CO 0.10 0.00 -0.56 0.50 0.02 0.00 0.00 177.57 177.64 1a5j h LYS 97 N -1.31 -0.01 0.67 1.57 3.64 -0.39 1.04 116.57 121.78 1a5j h LYS 97 Ca -0.13 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1a5j h LYS 97 Cb 0.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1a5j h LYS 97 CO 0.21 -0.01 -0.36 -0.97 -2.27 0.00 0.00 179.45 176.05 1a5j h ASN 98 N -0.01 -0.87 -1.21 4.20 -0.73 -0.84 -1.08 115.58 115.03 1a5j h ASN 98 Ca 0.15 0.04 0.35 0.00 1.87 0.00 0.00 56.30 58.71 1a5j h ASN 98 Cb 0.39 0.24 -0.05 0.00 0.27 0.00 0.00 38.32 39.17 1a5j h ASN 98 CO -0.88 -0.58 1.05 -0.74 -0.37 0.00 0.00 177.43 175.90 1a5j h HIS 99 N -0.95 0.00 0.07 0.67 2.76 0.29 1.28 115.15 119.26 1a5j h HIS 99 Ca -0.09 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 1a5j h HIS 99 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1a5j h HIS 99 CO -0.06 0.00 -0.03 2.35 -1.30 0.00 0.00 177.93 178.89 1a5j h TRP 100 N 0.00 -0.09 0.00 5.26 -0.00 0.24 -2.45 115.95 118.91 1a5j h TRP 100 Ca 0.58 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.46 1a5j h TRP 100 Cb 2.66 0.03 0.00 0.00 -0.00 0.00 0.00 29.16 31.85 1a5j h TRP 100 CO 0.00 -0.05 0.00 0.09 -0.00 0.00 0.00 178.44 178.48 1a5j n ASN 101 N -2.28 0.00 0.00 2.65 3.02 0.32 -1.28 115.26 117.68 1a5j n ASN 101 Ca -0.01 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1a5j n ASN 101 Cb 0.04 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1a5j n ASN 101 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1a5j n SER 102 N -1.16 0.00 -0.00 6.41 7.64 0.41 -4.67 113.62 122.26 1a5j n SER 102 Ca 0.09 0.16 0.01 0.00 1.01 0.00 0.00 58.87 60.14 1a5j n SER 102 Cb 0.09 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.28 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1a5j n THR 103 N -0.42 0.00 -0.70 0.44 -1.04 -0.96 -4.61 114.28 106.99 1a5j n THR 103 Ca 0.00 -0.31 -0.18 0.00 -2.04 0.00 0.00 64.05 61.52 1a5j n THR 103 Cb 0.00 0.81 0.07 0.00 -1.82 0.00 0.00 70.33 69.39 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 -1.22 2.69 -2.97 12.58 5.41 -0.41 -4.43 119.36 131.01 1a5j n ILE 104 Ca 0.00 -1.60 -0.12 0.00 1.00 0.00 0.00 62.75 62.03 1a5j n ILE 104 Cb 0.03 -1.03 -0.02 0.00 -0.71 0.00 0.00 39.64 37.91 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 -0.19 0.47 0.09 0.38 4.76 -0.63 -4.60 118.16 118.44 1a5j n LYS 105 Ca 0.37 -2.41 -0.04 0.00 -2.87 0.00 0.00 58.31 53.37 1a5j n LYS 105 Cb 0.87 -1.51 -0.02 0.00 -1.84 0.00 0.00 35.03 32.52 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 5.03 -0.22 -5.70 1.97 -0.00 -1.90 -3.38 114.38 110.19 1a5j h ARG 106 Ca 0.10 0.02 -0.29 0.00 -0.00 0.00 0.00 59.98 59.81 1a5j h ARG 106 Cb 1.03 0.05 -0.04 0.00 -0.00 0.00 0.00 29.97 31.01 1a5j h ARG 106 CO 0.17 -0.15 0.76 0.21 -0.00 0.00 0.00 179.97 180.97 1a5j s LYS 107 N -3.05 2.39 -0.12 0.08 2.36 -1.26 -4.61 119.74 115.54 1a5j s LYS 107 Ca -0.03 0.06 -0.10 0.00 -2.55 0.00 0.00 55.97 53.35 1a5j s LYS 107 Cb 0.00 -4.88 -0.05 0.00 -1.05 0.00 0.00 37.83 31.85 1a5j s LYS 107 CO 0.10 -3.44 -0.22 0.28 1.55 0.00 0.00 175.35 173.62 1a5j n VAL 108 N 7.92 1.22 -2.93 4.02 0.31 -1.26 -4.94 118.33 122.67 1a5j n VAL 108 Ca 0.38 0.04 -0.12 0.00 -0.01 0.00 0.00 64.34 64.63 1a5j n VAL 108 Cb 0.48 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.47 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 -3.97 -2.21 0.00 4.52 2.03 -1.26 -5.25 116.55 110.41 1a5j n ASP 109 Ca -0.19 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.19 1a5j n ASP 109 Cb 0.50 1.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.92 1a5j n ASP 109 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63