#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 0.00 0.00 -0.61 -4.36 -1.26 -5.18 121.20 109.79 1a5j s ILE 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1a5j s ILE 2 Cb 0.00 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.71 1a5j s ILE 2 CO 0.00 0.00 0.00 -0.81 0.24 0.00 0.00 174.94 174.37 1a5j n PRO 3 N 1.10 0.63 -2.28 0.37 -0.04 -1.26 -4.97 135.00 128.55 1a5j n PRO 3 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 1a5j n PRO 3 Cb 0.58 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.01 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 6.98 -0.02 3.54 2.15 -1.26 -4.31 116.67 122.50 1a5j s ASP 4 Ca 0.00 2.40 -0.01 0.00 0.43 0.00 0.00 52.55 55.37 1a5j s ASP 4 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1a5j s ASP 4 CO 0.00 -0.42 0.03 0.18 -0.17 0.00 0.00 175.17 174.79 1a5j n LEU 5 N 1.92 -4.81 0.00 -1.34 4.32 -1.26 -4.41 117.00 111.43 1a5j n LEU 5 Ca 0.03 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 1a5j n LEU 5 Cb 0.43 -1.72 0.00 0.00 -1.62 0.00 0.00 43.42 40.52 1a5j n LEU 5 CO 0.57 -2.93 0.00 0.52 -1.22 0.00 0.00 177.39 174.33 1a5j n VAL 6 N 2.44 0.00 -0.20 4.08 0.31 -1.26 -4.32 118.33 119.38 1a5j n VAL 6 Ca -0.04 0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 1a5j n VAL 6 Cb 0.07 -0.44 0.04 0.00 -0.91 0.00 0.00 33.84 32.60 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 1.44 -2.24 5.55 0.00 -1.26 -4.70 118.16 116.95 1a5j n LYS 7 Ca 0.00 -0.94 -0.03 0.00 -0.00 0.00 0.00 58.31 57.34 1a5j n LYS 7 Cb 0.00 -1.37 0.01 0.00 -0.00 0.00 0.00 35.03 33.67 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 0.38 0.35 3.62 2.58 0.00 -1.26 -4.98 105.19 105.87 1a5j n GLY 8 Ca 0.18 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.27 3.75 0.34 1.61 0.04 -1.26 -5.00 135.00 130.20 1a5j s PRO 9 Ca 0.01 1.13 0.08 0.00 0.04 0.00 0.00 61.00 62.26 1a5j s PRO 9 Cb -0.00 -3.96 -0.05 0.00 0.04 0.00 0.00 34.50 30.53 1a5j s PRO 9 CO 0.11 -1.34 0.10 -1.58 0.04 0.00 0.00 177.00 174.33 1a5j s TRP 10 N 4.92 2.65 0.26 0.56 0.52 -1.26 -4.84 118.94 121.75 1a5j s TRP 10 Ca 0.59 -0.40 -0.13 0.00 0.02 0.00 0.00 56.10 56.18 1a5j s TRP 10 Cb -0.16 -1.58 0.00 0.00 -1.15 0.00 0.00 33.47 30.58 1a5j s TRP 10 CO 0.28 0.39 0.52 0.95 0.02 0.00 0.00 176.95 179.11 1a5j s THR 11 N -2.46 0.00 0.50 2.01 -4.23 -1.26 -4.98 115.64 105.22 1a5j s THR 11 Ca 0.37 -1.35 0.38 0.00 -1.18 0.00 0.00 61.69 59.91 1a5j s THR 11 Cb -0.02 -2.23 0.59 0.00 1.34 0.00 0.00 72.50 72.18 1a5j s THR 11 CO 0.21 0.00 1.64 0.50 -0.54 0.00 0.00 174.62 176.43 1a5j h LYS 12 N 2.20 0.05 -0.52 3.99 3.64 -2.01 1.64 116.57 125.56 1a5j h LYS 12 Ca -0.25 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 1a5j h LYS 12 Cb 1.25 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1a5j h LYS 12 CO 0.34 0.03 0.34 1.49 -2.27 0.00 0.00 179.45 179.39 1a5j h GLU 13 N 0.05 0.68 -0.99 1.90 4.81 -1.97 0.42 114.58 119.48 1a5j h GLU 13 Ca 0.82 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 60.09 1a5j h GLU 13 Cb 2.92 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 32.08 1a5j h GLU 13 CO -0.21 0.45 0.63 0.93 -0.73 0.00 0.00 179.01 180.09 1a5j h GLU 14 N 0.70 1.08 0.05 1.92 3.07 0.21 0.31 114.58 121.92 1a5j h GLU 14 Ca 0.19 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1a5j h GLU 14 Cb -0.08 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.59 1a5j h GLU 14 CO -0.04 0.71 -0.02 -0.44 -1.40 0.00 0.00 179.01 177.82 1a5j h ASP 15 N 1.11 -0.06 -0.82 1.42 3.32 -1.14 -2.82 116.42 117.44 1a5j h ASP 15 Ca 0.44 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.73 1a5j h ASP 15 Cb 0.25 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1a5j h ASP 15 CO -0.20 0.01 1.01 0.06 -1.72 0.00 0.00 179.24 178.40 1a5j h GLN 16 N -0.18 0.00 0.00 3.56 -0.00 -0.16 0.76 115.11 119.09 1a5j h GLN 16 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1a5j h GLN 16 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 1a5j h GLN 16 CO 0.01 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.47 1a5j n LYS 17 N -3.31 0.00 -0.32 0.06 5.02 0.11 -0.62 118.16 119.10 1a5j n LYS 17 Ca 0.18 0.00 0.34 0.00 -2.02 0.00 0.00 58.31 56.81 1a5j n LYS 17 Cb 1.27 -0.73 0.59 0.00 -0.02 0.00 0.00 35.03 36.13 1a5j n LYS 17 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5j h VAL 18 N 0.00 0.06 0.00 -0.18 2.07 -1.08 1.74 116.25 118.86 1a5j h VAL 18 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a5j h VAL 18 Cb 0.00 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.86 1a5j h VAL 18 CO 0.00 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.21 1a5j n ILE 19 N -3.52 0.00 0.29 4.57 -0.00 0.19 -0.73 119.36 120.16 1a5j n ILE 19 Ca 0.27 0.33 0.13 0.00 -0.00 0.00 0.00 62.75 63.48 1a5j n ILE 19 Cb 1.55 -0.71 0.68 0.00 -0.00 0.00 0.00 39.64 41.16 1a5j n ILE 19 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1a5j h GLU 20 N 0.00 0.00 0.08 0.38 5.08 0.00 -0.90 114.58 119.22 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 0.00 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 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.90 1a5j h LEU 21 N 0.00 -0.09 -1.69 1.33 3.38 0.25 -2.02 115.31 116.47 1a5j h LEU 21 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 1a5j h LEU 21 Cb 0.69 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1a5j h LEU 21 CO 0.00 0.12 0.62 0.58 0.09 0.00 0.00 178.44 179.86 1a5j h VAL 22 N -0.49 0.21 0.06 1.22 2.07 0.03 2.15 116.25 121.51 1a5j h VAL 22 Ca -0.01 0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.26 1a5j h VAL 22 Cb 0.08 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1a5j h VAL 22 CO 0.02 0.00 -1.08 0.11 0.02 0.00 0.00 177.57 176.64 1a5j h LYS 23 N 0.00 0.29 -0.01 1.57 1.57 -1.23 1.67 116.57 120.43 1a5j h LYS 23 Ca 0.22 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1a5j h LYS 23 Cb 1.47 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.91 1a5j h LYS 23 CO -0.00 1.13 -0.37 1.17 -0.57 0.00 0.00 179.45 180.81 1a5j n LYS 24 N -3.61 0.89 -0.05 3.15 4.81 0.59 -4.39 118.16 119.55 1a5j n LYS 24 Ca -0.07 -0.62 -0.11 0.00 -0.87 0.00 0.00 58.31 56.65 1a5j n LYS 24 Cb 0.93 -1.49 -0.04 0.00 0.02 0.00 0.00 35.03 34.45 1a5j n LYS 24 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1a5j n TYR 25 N -0.52 0.00 0.00 5.64 4.02 0.57 -5.05 117.16 121.83 1a5j n TYR 25 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1a5j n TYR 25 Cb 0.39 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1a5j n TYR 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a5j n GLY 26 N 2.34 1.41 2.66 2.72 0.00 0.57 -4.77 105.19 110.12 1a5j n GLY 26 Ca -0.20 -0.95 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 2.61 -2.24 -1.26 -4.63 114.28 108.76 1a5j n THR 27 Ca 0.00 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1a5j n THR 27 Cb 0.00 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1a5j n THR 27 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a5j n LYS 28 N -0.06 0.00 0.04 -0.78 4.81 -1.26 -4.90 118.16 116.01 1a5j n LYS 28 Ca -0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.24 1a5j n LYS 28 Cb 0.70 -0.79 -0.01 0.00 0.02 0.00 0.00 35.03 34.95 1a5j n LYS 28 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1a5j h GLN 29 N 0.00 -0.13 0.00 1.64 4.20 -1.95 -3.46 115.11 115.42 1a5j h GLN 29 Ca 0.00 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1a5j h GLN 29 Cb 0.59 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1a5j h GLN 29 CO 0.00 -0.09 0.00 0.91 -0.67 0.00 0.00 178.83 178.98 1a5j n TRP 30 N -3.15 0.00 0.06 2.96 7.02 -1.26 -4.78 117.44 118.29 1a5j n TRP 30 Ca -0.02 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.27 1a5j n TRP 30 Cb 0.05 -0.84 -0.10 0.00 -2.42 0.00 0.00 31.31 28.00 1a5j n TRP 30 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1a5j h THR 31 N 0.00 1.31 -0.57 -0.99 1.03 -1.96 -3.24 112.91 108.48 1a5j h THR 31 Ca 0.00 -2.33 0.10 0.00 -0.01 0.00 0.00 66.41 64.17 1a5j h THR 31 Cb 0.00 2.45 -0.08 0.00 -1.07 0.00 0.00 68.15 69.45 1a5j h THR 31 CO 0.00 0.71 0.12 0.17 -0.01 0.00 0.00 175.52 176.52 1a5j h LEU 32 N 0.34 0.01 -1.20 0.00 8.10 -1.96 0.85 115.31 121.46 1a5j h LEU 32 Ca -0.13 0.10 0.13 0.00 0.11 0.00 0.00 57.88 58.09 1a5j h LEU 32 Cb 1.72 0.14 -0.07 0.00 -0.44 0.00 0.00 40.66 42.00 1a5j h LEU 32 CO 0.20 0.02 0.59 0.40 -4.11 0.00 0.00 178.44 175.54 1a5j h ILE 33 N 0.26 0.87 -0.54 0.15 5.03 -1.94 3.83 117.51 125.16 1a5j h ILE 33 Ca 0.29 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.76 1a5j h ILE 33 Cb 0.42 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.21 1a5j h ILE 33 CO -0.37 0.15 0.00 0.00 -0.68 0.00 0.00 178.15 177.24 1a5j n ALA 34 N -2.40 2.47 -0.01 1.87 0.00 0.96 -3.16 120.51 120.23 1a5j n ALA 34 Ca 0.17 -0.98 -0.02 0.00 0.00 0.00 0.00 53.44 52.61 1a5j n ALA 34 Cb 0.42 -0.96 -0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 1.08 0.07 -0.01 0.00 0.00 0.30 -4.13 118.16 115.46 1a5j n LYS 35 Ca 0.18 0.02 0.13 0.00 0.00 0.00 0.00 58.31 58.64 1a5j n LYS 35 Cb 0.49 -0.95 0.64 0.00 0.00 0.00 0.00 35.03 35.20 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 -2.70 0.04 -3.88 5.64 8.25 1.19 -4.77 115.22 118.98 1a5j n HIS 36 Ca -0.05 -0.02 -0.11 0.00 -0.26 0.00 0.00 57.72 57.28 1a5j n HIS 36 Cb 0.55 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.53 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 -1.81 1.92 0.01 2.41 1.43 -1.19 -4.74 118.68 116.70 1a5j s LEU 37 Ca 0.38 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1a5j s LEU 37 Cb 0.19 0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.56 1a5j s LEU 37 CO 0.30 -0.10 0.00 0.29 0.23 0.00 0.00 176.35 177.08 1a5j n LYS 38 N 2.65 -0.05 -0.31 1.70 4.76 -1.26 -4.47 118.16 121.18 1a5j n LYS 38 Ca -0.15 0.04 0.34 0.00 -2.87 0.00 0.00 58.31 55.66 1a5j n LYS 38 Cb 0.58 -0.04 0.56 0.00 -1.84 0.00 0.00 35.03 34.29 1a5j n LYS 38 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1a5j h GLY 39 N 0.02 0.00 0.00 0.72 0.00 -1.77 -3.38 103.07 98.65 1a5j h GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1a5j h GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 1a5j n ARG 40 N -3.46 0.00 0.00 4.80 0.63 -1.26 -4.89 116.66 112.48 1a5j n ARG 40 Ca 0.27 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 1a5j n ARG 40 Cb 1.58 0.00 0.00 0.00 0.45 0.00 0.00 32.46 34.49 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 -2.47 0.00 -0.80 6.15 7.99 -1.26 -4.48 117.00 122.13 1a5j n LEU 41 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 55.98 1a5j n LEU 41 Cb 0.00 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1a5j n LEU 41 CO 0.00 -1.26 0.15 0.61 -1.51 0.00 0.00 177.39 175.38 1a5j n GLY 42 N 0.97 -0.11 0.71 -0.72 0.00 -1.26 -4.26 105.19 100.52 1a5j n GLY 42 Ca 0.00 -0.01 0.53 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.05 0.00 -1.37 1.61 3.00 -1.26 -0.81 118.16 119.27 1a5j n LYS 43 Ca -0.10 1.08 -0.31 0.00 -0.00 0.00 0.00 58.31 58.98 1a5j n LYS 43 Cb 0.44 -2.51 -0.06 0.00 0.00 0.00 0.00 35.03 32.89 1a5j n LYS 43 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1a5j n GLN 44 N -3.90 3.30 -2.69 1.64 7.27 -1.26 -4.91 117.38 116.83 1a5j n GLN 44 Ca 0.44 -2.13 -0.25 0.00 0.07 0.00 0.00 57.00 55.13 1a5j n GLN 44 Cb 2.01 -2.50 0.02 0.00 2.41 0.00 0.00 30.24 32.18 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 -2.32 -0.22 -2.69 0.00 1.74 -1.26 -4.94 116.66 106.97 1a5j n ARG 46 Ca 0.03 0.63 -0.06 0.00 -0.77 0.00 0.00 57.85 57.67 1a5j n ARG 46 Cb 0.57 -0.79 0.08 0.00 -1.02 0.00 0.00 32.46 31.30 1a5j n ARG 46 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1a5j n GLU 47 N 1.16 0.69 0.00 5.56 1.02 -1.26 -4.76 120.64 123.05 1a5j n GLU 47 Ca 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.79 1a5j n GLU 47 Cb 0.40 -0.29 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 1a5j n GLU 47 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1a5j n ARG 48 N -0.14 0.00 0.00 3.49 3.00 -1.26 -4.91 116.66 116.84 1a5j n ARG 48 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.77 1a5j n ARG 48 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 32.46 33.13 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 -1.98 0.00 -0.06 -0.14 2.14 -1.26 -4.66 117.44 111.48 1a5j n TRP 49 Ca 0.00 0.00 -0.08 0.00 2.07 0.00 0.00 57.50 59.49 1a5j n TRP 49 Cb 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 30.43 1a5j n TRP 49 CO 0.00 0.00 0.00 1.25 2.07 0.00 0.00 177.69 181.01 1a5j h HIS 50 N 0.00 0.00 -3.27 -2.67 2.76 -1.91 -3.40 115.15 106.66 1a5j h HIS 50 Ca 0.00 0.00 -0.73 0.00 -2.20 0.00 0.00 60.37 57.44 1a5j h HIS 50 Cb 0.01 0.00 -0.34 0.00 1.55 0.00 0.00 27.41 28.63 1a5j h HIS 50 CO 0.00 0.57 0.07 0.09 -1.30 0.00 0.00 177.93 177.36 1a5j n ASN 51 N -4.67 4.64 0.20 3.26 3.02 -1.26 -4.55 115.26 115.90 1a5j n ASN 51 Ca -0.07 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1a5j n ASN 51 Cb 0.28 -1.12 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 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 2.22 -3.75 0.00 3.10 8.25 -1.26 -4.73 115.22 119.04 1a5j n HIS 52 Ca 0.23 1.08 0.00 0.00 -0.26 0.00 0.00 57.72 58.78 1a5j n HIS 52 Cb 0.37 2.40 0.00 0.00 1.12 0.00 0.00 29.99 33.88 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 -3.50 0.49 -3.70 2.41 -0.00 -1.26 -5.01 117.00 106.43 1a5j n LEU 53 Ca 0.00 0.05 -0.26 0.00 -0.00 0.00 0.00 56.01 55.79 1a5j n LEU 53 Cb 0.00 -0.18 0.01 0.00 -0.00 0.00 0.00 43.42 43.25 1a5j n LEU 53 CO 0.00 -0.18 -0.22 -3.20 -0.00 0.00 0.00 177.39 173.79 1a5j n ASN 54 N -1.65 -5.12 -3.25 1.96 2.85 -1.26 -4.96 115.26 103.83 1a5j n ASN 54 Ca 0.00 -0.76 0.00 0.00 -0.11 0.00 0.00 54.58 53.71 1a5j n ASN 54 Cb 0.00 -1.86 0.00 0.00 1.24 0.00 0.00 39.78 39.16 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 -2.11 1.45 -2.33 1.20 -0.04 -1.26 -5.12 135.00 126.78 1a5j n PRO 55 Ca -0.26 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.17 1a5j n PRO 55 Cb 0.68 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.13 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 0.11 0.00 0.54 2.13 -1.26 -5.01 120.64 117.15 1a5j n GLU 56 Ca 0.00 -0.50 0.14 0.00 0.66 0.00 0.00 57.16 57.47 1a5j n GLU 56 Cb 0.00 0.40 0.73 0.00 0.27 0.00 0.00 31.44 32.84 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 -0.10 0.06 0.00 6.31 0.31 -1.26 -4.90 118.33 118.75 1a5j n VAL 57 Ca 0.01 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1a5j n VAL 57 Cb 0.09 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 -1.27 0.00 0.00 5.55 5.02 -1.26 -4.84 118.16 121.36 1a5j n LYS 58 Ca 0.14 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1a5j n LYS 58 Cb 0.22 0.00 0.18 0.00 -0.02 0.00 0.00 35.03 35.41 1a5j n LYS 58 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1a5j n LYS 59 N -0.70 0.68 -2.74 1.97 0.00 -1.26 -4.56 118.16 111.54 1a5j n LYS 59 Ca 0.00 -0.48 -0.06 0.00 -0.00 0.00 0.00 58.31 57.76 1a5j n LYS 59 Cb 0.00 -1.49 0.04 0.00 -0.00 0.00 0.00 35.03 33.58 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 -0.74 -2.90 0.00 -5.58 3.41 -1.26 -5.13 113.62 101.42 1a5j n SER 60 Ca 0.09 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.70 1a5j n SER 60 Cb 0.38 1.70 0.00 0.00 -0.26 0.00 0.00 64.21 66.02 1a5j n SER 60 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1a5j n SER 61 N 2.04 0.00 -3.81 4.04 3.41 -1.26 -5.16 113.62 112.88 1a5j n SER 61 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 1a5j n SER 61 Cb 0.62 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.84 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a5j s TRP 62 N -3.90 0.13 0.00 7.33 0.52 -1.26 -4.90 118.94 116.86 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 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 1a5j s TRP 62 CO 0.00 -4.50 0.00 0.25 0.02 0.00 0.00 176.95 172.72 1a5j n THR 63 N -5.30 0.00 0.00 2.01 -2.24 -1.26 -4.05 114.28 103.44 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 -0.42 -0.78 1.02 -1.26 -1.87 120.64 117.34 1a5j n GLU 64 Ca 0.00 0.03 0.35 0.00 -0.02 0.00 0.00 57.16 57.53 1a5j n GLU 64 Cb 0.00 -0.66 0.68 0.00 -0.02 0.00 0.00 31.44 31.44 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1a5j h GLU 65 N 0.00 0.12 -0.53 3.49 5.08 -1.99 1.22 114.58 121.97 1a5j h GLU 65 Ca 0.00 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1a5j h GLU 65 Cb 0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1a5j h GLU 65 CO 0.00 0.08 -0.04 0.93 -1.00 0.00 0.00 179.01 178.97 1a5j h GLU 66 N 0.12 0.97 0.32 2.33 5.08 -1.98 -0.93 114.58 120.48 1a5j h GLU 66 Ca 0.70 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 1a5j h GLU 66 Cb 2.40 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 31.58 1a5j h GLU 66 CO -0.19 1.00 -0.15 0.22 -1.00 0.00 0.00 179.01 178.88 1a5j h ASP 67 N 0.84 -0.36 0.42 1.42 1.82 0.22 -2.26 116.42 118.51 1a5j h ASP 67 Ca 0.15 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.77 1a5j h ASP 67 Cb 0.59 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.67 1a5j h ASP 67 CO 0.04 -0.24 -0.43 0.03 -1.61 0.00 0.00 179.24 177.03 1a5j h ARG 68 N -0.44 -0.81 -0.88 0.28 2.47 -1.29 -0.78 114.38 112.93 1a5j h ARG 68 Ca -0.04 0.06 0.31 0.00 -1.26 0.00 0.00 59.98 59.04 1a5j h ARG 68 Cb 0.34 0.18 -0.16 0.00 -1.65 0.00 0.00 29.97 28.68 1a5j h ARG 68 CO 0.07 -0.54 0.26 -0.89 0.56 0.00 0.00 179.97 179.43 1a5j n ILE 69 N -5.00 -0.37 0.06 2.04 5.41 -0.36 0.12 119.36 121.26 1a5j n ILE 69 Ca -0.10 1.86 -0.02 0.00 1.00 0.00 0.00 62.75 65.49 1a5j n ILE 69 Cb 0.39 -2.88 -0.01 0.00 -0.71 0.00 0.00 39.64 36.42 1a5j n ILE 69 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1a5j h ILE 70 N 0.00 0.00 -0.10 1.39 1.08 -0.68 0.43 117.51 119.62 1a5j h ILE 70 Ca 0.65 -0.02 0.03 0.00 -0.39 0.00 0.00 64.86 65.13 1a5j h ILE 70 Cb 1.58 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1a5j h ILE 70 CO -0.75 0.00 0.55 0.15 -0.69 0.00 0.00 178.15 177.41 1a5j h PHE 71 N -0.18 0.00 0.00 1.37 3.04 0.72 0.33 116.94 122.23 1a5j h PHE 71 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1a5j h PHE 71 Cb 0.12 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.63 1a5j h PHE 71 CO 0.17 0.00 -0.01 1.49 -2.02 0.00 0.00 178.31 177.94 1a5j h GLU 72 N 0.00 0.00 -1.04 1.11 4.81 0.13 -3.20 114.58 116.40 1a5j h GLU 72 Ca 0.05 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.55 1a5j h GLU 72 Cb 1.15 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.42 1a5j h GLU 72 CO -0.00 0.00 0.65 0.00 -0.73 0.00 0.00 179.01 178.93 1a5j h ALA 73 N -1.91 2.08 -0.08 2.92 0.00 0.49 1.74 119.26 124.49 1a5j h ALA 73 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a5j h ALA 73 Cb 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5j h ALA 73 CO 0.00 -0.52 0.06 1.25 0.00 0.00 0.00 179.25 180.04 1a5j h HIS 74 N 0.45 0.00 -0.50 0.00 -0.00 -0.51 0.69 115.15 115.28 1a5j h HIS 74 Ca 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.00 1a5j h HIS 74 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.86 1a5j h HIS 74 CO -0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.93 178.29 1a5j n LYS 75 N -4.42 2.33 -0.00 5.26 2.85 0.59 -1.42 118.16 123.35 1a5j n LYS 75 Ca -0.01 -1.87 0.01 0.00 -1.05 0.00 0.00 58.31 55.39 1a5j n LYS 75 Cb 0.17 -1.46 -0.02 0.00 -0.65 0.00 0.00 35.03 33.07 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 0.93 0.01 0.05 0.58 0.31 0.21 -4.89 118.33 115.53 1a5j n VAL 76 Ca 0.17 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1a5j n VAL 76 Cb 0.48 0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.79 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 -1.60 0.59 0.00 7.52 4.77 0.37 -5.08 117.00 123.58 1a5j n LEU 77 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1a5j n LEU 77 Cb 0.08 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1a5j n LEU 77 CO 0.05 -0.68 0.00 0.61 -1.33 0.00 0.00 177.39 176.04 1a5j n GLY 78 N 3.12 2.99 0.72 -0.72 0.00 -0.51 -4.82 105.19 105.97 1a5j n GLY 78 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.30 -3.15 1.61 0.23 -1.26 -4.85 115.26 107.54 1a5j n ASN 79 Ca 0.00 -1.46 -0.23 0.00 -0.53 0.00 0.00 54.58 52.37 1a5j n ASN 79 Cb 0.00 0.08 -0.02 0.00 -2.08 0.00 0.00 39.78 37.76 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 0.02 2.16 -0.26 -3.83 3.00 -1.26 -4.53 116.66 111.96 1a5j n ARG 80 Ca -0.09 -1.47 0.15 0.00 -0.01 0.00 0.00 57.85 56.43 1a5j n ARG 80 Cb 0.61 -2.45 0.44 0.00 0.00 0.00 0.00 32.46 31.06 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 6.15 0.69 0.00 -1.55 4.06 -1.94 1.77 115.95 125.13 1a5j h TRP 81 Ca 0.51 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.48 1a5j h TRP 81 Cb 0.19 -0.21 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 1a5j h TRP 81 CO 1.94 0.22 -0.00 0.00 -3.56 0.00 0.00 178.44 177.03 1a5j h ALA 82 N 1.61 1.08 0.00 1.49 0.00 -1.87 -1.54 119.26 120.04 1a5j h ALA 82 Ca 0.46 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.10 1a5j h ALA 82 Cb 0.94 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1a5j h ALA 82 CO -0.20 0.00 -2.02 -0.85 0.00 0.00 0.00 179.25 176.17 1a5j n GLU 83 N -3.20 1.55 -0.10 0.00 -0.00 0.52 -4.18 120.64 115.22 1a5j n GLU 83 Ca -0.03 -0.01 -0.06 0.00 -0.00 0.00 0.00 57.16 57.07 1a5j n GLU 83 Cb 0.08 -1.38 0.01 0.00 -0.00 0.00 0.00 31.44 30.14 1a5j n GLU 83 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1a5j h ILE 84 N 0.00 0.73 -0.47 3.84 1.08 0.19 0.49 117.51 123.37 1a5j h ILE 84 Ca -0.41 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.00 1a5j h ILE 84 Cb 1.92 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 36.28 1a5j h ILE 84 CO 0.02 0.02 0.15 0.00 -0.69 0.00 0.00 178.15 177.65 1a5j h ALA 85 N 1.31 1.38 0.00 1.87 0.00 -1.55 0.11 119.26 122.38 1a5j h ALA 85 Ca 0.17 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5j h ALA 85 Cb 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1a5j h ALA 85 CO -0.29 0.46 0.09 0.87 0.00 0.00 0.00 179.25 180.37 1a5j h LYS 86 N 0.68 0.00 -0.65 0.00 1.57 -1.08 0.88 116.57 117.97 1a5j h LYS 86 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1a5j h LYS 86 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1a5j h LYS 86 CO -0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 1a5j n LEU 87 N -2.85 3.66 -4.33 2.94 7.99 0.03 -4.89 117.00 119.55 1a5j n LEU 87 Ca -0.02 -1.85 -0.21 0.00 -0.01 0.00 0.00 56.01 53.92 1a5j n LEU 87 Cb 0.14 -0.53 -0.08 0.00 -0.11 0.00 0.00 43.42 42.84 1a5j n LEU 87 CO 0.16 0.55 -0.12 -0.76 -1.51 0.00 0.00 177.39 175.71 1a5j s LEU 88 N -1.56 1.80 0.00 2.23 1.43 0.31 -5.01 118.68 117.87 1a5j s LEU 88 Ca 0.35 -1.76 0.22 0.00 -1.03 0.00 0.00 54.13 51.92 1a5j s LEU 88 Cb 0.24 0.44 1.33 0.00 0.03 0.00 0.00 46.19 48.23 1a5j s LEU 88 CO 0.15 -1.05 1.72 -0.81 0.23 0.00 0.00 176.35 176.59 1a5j n PRO 89 N -0.69 0.75 0.00 1.29 -0.04 -1.26 -4.83 135.00 130.22 1a5j n PRO 89 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1a5j n PRO 89 Cb 0.63 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 1a5j n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5j n GLY 90 N 0.48 2.96 0.60 0.55 0.00 -1.26 -5.08 105.19 103.44 1a5j n GLY 90 Ca 0.17 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.00 0.00 1.61 5.12 -1.26 -5.12 116.66 117.01 1a5j n ARG 91 Ca 0.00 -0.50 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 1a5j n ARG 91 Cb 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 32.46 31.20 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 0.03 0.00 -0.12 0.55 -2.24 -1.26 -3.72 114.28 107.52 1a5j n THR 92 Ca -0.02 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.52 1a5j n THR 92 Cb 0.61 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 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 -3.84 1.90 -0.23 3.42 5.75 -1.26 -4.07 116.55 118.22 1a5j n ASP 93 Ca 0.00 0.16 0.25 0.00 -0.01 0.00 0.00 54.79 55.19 1a5j n ASP 93 Cb 0.00 -0.61 0.62 0.00 -1.03 0.00 0.00 41.12 40.10 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 -0.60 0.20 0.34 -1.12 7.08 -1.91 0.75 115.58 120.33 1a5j h ASN 94 Ca -0.60 0.03 -0.02 0.00 -3.08 0.00 0.00 56.30 52.63 1a5j h ASN 94 Cb 1.64 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.87 1a5j h ASN 94 CO -0.28 0.07 -0.17 0.00 -2.08 0.00 0.00 177.43 174.97 1a5j h ALA 95 N 1.57 -0.80 0.37 4.14 0.00 -1.76 -1.07 119.26 121.71 1a5j h ALA 95 Ca 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 1a5j h ALA 95 Cb 1.54 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1a5j h ALA 95 CO -0.11 -0.76 -0.37 0.28 0.00 0.00 0.00 179.25 178.29 1a5j h VAL 96 N -0.63 0.00 -0.91 0.00 2.07 -1.38 0.98 116.25 116.38 1a5j h VAL 96 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1a5j h VAL 96 Cb 0.36 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.00 1a5j h VAL 96 CO 0.08 0.00 -0.48 1.17 0.02 0.00 0.00 177.57 178.36 1a5j n LYS 97 N -4.63 -0.34 0.21 1.57 4.81 0.25 0.21 118.16 120.24 1a5j n LYS 97 Ca -0.09 1.39 -0.15 0.00 -0.87 0.00 0.00 58.31 58.59 1a5j n LYS 97 Cb 0.34 -2.04 -0.07 0.00 0.02 0.00 0.00 35.03 33.27 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 -0.62 -0.93 3.14 -0.73 -0.85 -0.27 115.58 115.33 1a5j h ASN 98 Ca 0.20 0.05 0.27 0.00 1.87 0.00 0.00 56.30 58.69 1a5j h ASN 98 Cb 0.43 0.20 -0.04 0.00 0.27 0.00 0.00 38.32 39.18 1a5j h ASN 98 CO -0.87 -0.37 0.96 -0.74 -0.37 0.00 0.00 177.43 176.04 1a5j h HIS 99 N -0.57 0.00 0.11 0.67 2.76 0.54 1.02 115.15 119.68 1a5j h HIS 99 Ca -0.03 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1a5j h HIS 99 Cb 0.49 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1a5j h HIS 99 CO -0.12 0.00 -0.05 2.35 -1.30 0.00 0.00 177.93 178.81 1a5j h TRP 100 N 0.00 -0.13 0.00 5.26 -0.00 0.15 -2.43 115.95 118.80 1a5j h TRP 100 Ca 0.44 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.33 1a5j h TRP 100 Cb 2.36 0.04 0.00 0.00 -0.00 0.00 0.00 29.16 31.56 1a5j h TRP 100 CO 0.00 -0.08 0.00 0.09 -0.00 0.00 0.00 178.44 178.45 1a5j n ASN 101 N -2.47 0.00 0.00 2.65 3.02 0.35 -1.07 115.26 117.74 1a5j n ASN 101 Ca -0.02 -0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1a5j n ASN 101 Cb 0.06 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.17 0.00 0.00 6.41 7.64 0.33 -4.71 113.62 122.12 1a5j n SER 102 Ca 0.08 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1a5j n SER 102 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 -0.45 0.00 -0.18 0.44 -1.04 -0.98 -4.64 114.28 107.42 1a5j n THR 103 Ca 0.00 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.05 61.60 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 -0.99 2.17 -3.63 12.58 5.41 -0.58 -4.72 119.36 129.60 1a5j n ILE 104 Ca 0.00 -1.02 -0.13 0.00 1.00 0.00 0.00 62.75 62.60 1a5j n ILE 104 Cb 0.00 -0.75 -0.12 0.00 -0.71 0.00 0.00 39.64 38.06 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 -1.71 0.20 -0.05 0.38 -0.14 -0.23 -4.67 119.74 113.52 1a5j s LYS 105 Ca 0.30 0.75 -0.00 0.00 -1.36 0.00 0.00 55.97 55.65 1a5j s LYS 105 Cb 0.25 -0.09 -0.00 0.00 -1.68 0.00 0.00 37.83 36.31 1a5j s LYS 105 CO 0.05 -0.33 0.02 0.00 -0.76 0.00 0.00 175.35 174.34 1a5j h ARG 106 N 8.26 -0.01 -4.41 1.68 -0.00 -1.90 -3.38 114.38 114.62 1a5j h ARG 106 Ca -0.15 0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.77 1a5j h ARG 106 Cb 1.12 0.00 0.06 0.00 0.00 0.00 0.00 29.97 31.15 1a5j h ARG 106 CO 0.15 -0.01 2.07 1.17 0.00 0.00 0.00 179.97 183.35 1a5j n LYS 107 N -3.39 1.18 0.04 0.04 0.00 -1.26 -2.93 118.16 111.84 1a5j n LYS 107 Ca -0.00 -1.53 0.00 0.00 0.00 0.00 0.00 58.31 56.78 1a5j n LYS 107 Cb 0.01 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.33 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1a5j n VAL 108 N 5.90 0.00 -2.90 3.15 0.31 -1.26 -5.03 118.33 118.49 1a5j n VAL 108 Ca 0.45 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.66 1a5j n VAL 108 Cb 0.34 -0.25 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 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 -2.70 -2.26 0.00 4.52 2.03 -1.15 -5.19 116.55 111.80 1a5j n ASP 109 Ca 0.00 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.33 1a5j n ASP 109 Cb 0.00 1.11 0.00 0.00 -0.72 0.00 0.00 41.12 41.51 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35