#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 -1.73 -0.00 -0.61 0.13 -1.26 -4.90 119.36 110.99 1a5j n ILE 2 Ca 0.00 -0.41 0.00 0.00 -1.10 0.00 0.00 62.75 61.24 1a5j n ILE 2 Cb 0.00 -1.48 0.00 0.00 -0.84 0.00 0.00 39.64 37.32 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 2.80 0.00 0.00 176.55 178.54 1a5j n PRO 3 N -3.84 0.99 -0.66 9.51 -0.04 -1.26 -4.94 135.00 134.76 1a5j n PRO 3 Ca -0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.08 1a5j n PRO 3 Cb 0.40 0.00 0.25 0.00 -0.04 0.00 0.00 33.50 34.11 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 0.44 -0.48 3.54 -1.08 -1.26 -3.55 116.67 113.03 1a5j s ASP 4 Ca 0.00 1.08 0.00 0.00 -0.52 0.00 0.00 52.55 53.11 1a5j s ASP 4 Cb 0.00 -1.63 0.00 0.00 -1.46 0.00 0.00 42.92 39.83 1a5j s ASP 4 CO 0.00 -4.47 0.00 0.18 0.52 0.00 0.00 175.17 171.40 1a5j n LEU 5 N -5.06 -0.09 -0.05 -1.34 4.32 -1.26 -4.83 117.00 108.70 1a5j n LEU 5 Ca 0.08 0.11 -0.01 0.00 -0.02 0.00 0.00 56.01 56.17 1a5j n LEU 5 Cb 0.58 -1.50 -0.15 0.00 -1.62 0.00 0.00 43.42 40.73 1a5j n LEU 5 CO 0.51 -0.48 -0.89 0.52 -1.22 0.00 0.00 177.39 175.83 1a5j n VAL 6 N -2.63 0.88 0.96 4.08 0.31 -1.23 -3.47 118.33 117.23 1a5j n VAL 6 Ca -0.05 -0.71 0.00 0.00 -0.01 0.00 0.00 64.34 63.58 1a5j n VAL 6 Cb 0.27 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.60 0.83 0.00 5.55 4.76 -1.26 -4.00 118.16 121.43 1a5j n LYS 7 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1a5j n LYS 7 Cb 0.91 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.75 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 0.13 -1.84 3.66 0.72 0.00 -1.26 -5.13 105.19 101.47 1a5j n GLY 8 Ca 0.00 0.80 -0.43 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 4.24 0.85 1.61 0.04 -1.23 -4.94 135.00 135.58 1a5j s PRO 9 Ca 0.00 1.68 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 1a5j s PRO 9 Cb 0.00 -3.75 0.11 0.00 0.04 0.00 0.00 34.50 30.90 1a5j s PRO 9 CO 0.00 -0.69 1.20 -1.58 0.04 0.00 0.00 177.00 175.97 1a5j s TRP 10 N 3.40 2.64 0.00 0.56 0.52 -1.26 -5.09 118.94 119.71 1a5j s TRP 10 Ca 0.55 0.68 0.00 0.00 0.02 0.00 0.00 56.10 57.35 1a5j s TRP 10 Cb -0.22 -3.60 0.00 0.00 -1.15 0.00 0.00 33.47 28.50 1a5j s TRP 10 CO 0.16 -2.02 0.00 0.25 0.02 0.00 0.00 176.95 175.36 1a5j n THR 11 N -3.46 0.00 0.25 2.01 -2.24 -1.26 -5.01 114.28 104.57 1a5j n THR 11 Ca 0.09 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.98 1a5j n THR 11 Cb 0.61 0.00 0.66 0.00 -2.10 0.00 0.00 70.33 69.50 1a5j n THR 11 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1a5j h LYS 12 N 0.00 0.00 0.00 -0.78 3.64 -1.98 -2.60 116.57 114.85 1a5j h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a5j h LYS 12 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1a5j h LYS 12 CO 0.00 0.14 0.00 -1.91 -2.27 0.00 0.00 179.45 175.41 1a5j n GLU 13 N -3.86 0.00 -0.35 1.90 0.00 -1.26 0.17 120.64 117.24 1a5j n GLU 13 Ca -0.02 0.54 0.13 0.00 0.00 0.00 0.00 57.16 57.82 1a5j n GLU 13 Cb 0.24 -1.44 0.33 0.00 0.00 0.00 0.00 31.44 30.56 1a5j n GLU 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1a5j h GLU 14 N 0.00 0.69 -0.53 5.31 4.39 -1.95 0.55 114.58 123.04 1a5j h GLU 14 Ca 0.00 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1a5j h GLU 14 Cb 0.00 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1a5j h GLU 14 CO 0.00 0.46 0.10 -0.44 -1.16 0.00 0.00 179.01 177.96 1a5j h ASP 15 N 0.71 0.77 -0.00 1.42 3.32 -1.21 -1.24 116.42 120.20 1a5j h ASP 15 Ca 0.59 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1a5j h ASP 15 Cb 0.95 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 1a5j h ASP 15 CO -0.40 0.78 0.00 0.06 -1.72 0.00 0.00 179.24 177.96 1a5j h GLN 16 N 0.79 0.00 0.22 3.56 -0.00 0.71 -2.09 115.11 118.30 1a5j h GLN 16 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 1a5j h GLN 16 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1a5j h GLN 16 CO 0.00 0.00 -0.11 -0.22 -0.00 0.00 0.00 178.83 178.51 1a5j h LYS 17 N 0.00 -0.29 -0.63 0.06 3.64 -0.74 -2.17 116.57 116.44 1a5j h LYS 17 Ca 0.00 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1a5j h LYS 17 Cb 0.00 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 31.77 1a5j h LYS 17 CO -0.00 0.09 -0.09 0.28 -2.27 0.00 0.00 179.45 177.46 1a5j h VAL 18 N -0.80 0.41 -0.97 2.00 2.07 -1.32 0.75 116.25 118.40 1a5j h VAL 18 Ca -0.03 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1a5j h VAL 18 Cb 0.51 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 1a5j h VAL 18 CO 0.05 0.01 0.62 0.40 0.02 0.00 0.00 177.57 178.67 1a5j h ILE 19 N 0.04 1.02 0.00 4.57 5.03 -1.47 0.55 117.51 127.26 1a5j h ILE 19 Ca 0.32 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1a5j h ILE 19 Cb 0.51 -0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.16 1a5j h ILE 19 CO -0.61 0.19 0.00 -0.08 -0.68 0.00 0.00 178.15 176.98 1a5j h GLU 20 N 1.06 0.00 0.00 2.37 4.57 0.97 -2.33 114.58 121.22 1a5j h GLU 20 Ca 0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1a5j h GLU 20 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1a5j h GLU 20 CO -0.19 0.00 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.47 1a5j h LEU 21 N 0.00 0.00 -1.69 1.64 3.38 0.39 -2.82 115.31 116.22 1a5j h LEU 21 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1a5j h LEU 21 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1a5j h LEU 21 CO 0.00 0.21 0.74 0.58 0.09 0.00 0.00 178.44 180.06 1a5j h VAL 22 N -0.33 0.24 0.30 1.22 2.07 -0.73 1.39 116.25 120.41 1a5j h VAL 22 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 22 Cb 0.09 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1a5j h VAL 22 CO 0.00 0.00 -0.15 0.11 0.02 0.00 0.00 177.57 177.55 1a5j h LYS 23 N 0.00 -0.39 0.00 1.57 1.57 -1.55 1.42 116.57 119.20 1a5j h LYS 23 Ca 0.33 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1a5j h LYS 23 Cb 1.81 0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.21 1a5j h LYS 23 CO -0.00 -0.20 0.00 1.17 -0.57 0.00 0.00 179.45 179.84 1a5j n LYS 24 N -5.05 0.06 -0.10 3.15 0.00 0.45 -3.09 118.16 113.58 1a5j n LYS 24 Ca -0.06 0.36 -0.15 0.00 0.00 0.00 0.00 58.31 58.46 1a5j n LYS 24 Cb 0.19 -1.63 -0.06 0.00 0.00 0.00 0.00 35.03 33.54 1a5j n LYS 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a5j n TYR 25 N -1.74 0.45 -2.85 5.64 4.02 0.45 -5.06 117.16 118.07 1a5j n TYR 25 Ca 0.02 0.19 -0.03 0.00 -0.01 0.00 0.00 57.90 58.08 1a5j n TYR 25 Cb 0.15 -0.79 -0.02 0.00 -0.02 0.00 0.00 39.34 38.66 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 1.45 -2.77 0.00 2.72 0.00 0.49 -4.88 105.19 102.20 1a5j n GLY 26 Ca -0.24 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 1.87 0.00 0.00 2.61 5.66 -1.26 -5.05 114.28 118.10 1a5j n THR 27 Ca -0.19 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1a5j n THR 27 Cb 0.34 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.12 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 -4.24 1.09 0.00 -1.26 -5.04 118.16 108.71 1a5j n LYS 28 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 57.95 1a5j n LYS 28 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a5j n GLN 29 N 0.00 -0.75 0.26 1.64 6.02 -1.26 -4.76 117.38 118.53 1a5j n GLN 29 Ca 0.00 0.09 0.13 0.00 -0.01 0.00 0.00 57.00 57.20 1a5j n GLN 29 Cb 0.00 -3.25 0.70 0.00 1.02 0.00 0.00 30.24 28.71 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 -2.06 0.00 -0.41 1.08 4.06 -1.98 -2.13 115.95 114.51 1a5j h TRP 30 Ca -0.68 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.18 1a5j h TRP 30 Cb 1.40 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.55 1a5j h TRP 30 CO 0.47 0.13 -0.12 1.15 -3.56 0.00 0.00 178.44 176.51 1a5j h THR 31 N 0.00 1.28 0.01 1.49 2.02 -1.98 -2.98 112.91 112.74 1a5j h THR 31 Ca -0.00 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 65.98 1a5j h THR 31 Cb 0.39 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1a5j h THR 31 CO 0.02 0.41 -0.25 0.17 0.37 0.00 0.00 175.52 176.24 1a5j h LEU 32 N 0.61 -0.73 0.00 2.58 8.10 -1.74 0.90 115.31 125.04 1a5j h LEU 32 Ca 0.10 0.10 0.00 0.00 0.11 0.00 0.00 57.88 58.19 1a5j h LEU 32 Cb 0.65 0.30 0.00 0.00 -0.44 0.00 0.00 40.66 41.17 1a5j h LEU 32 CO 0.04 -0.32 0.00 -0.38 -4.11 0.00 0.00 178.44 173.68 1a5j n ILE 33 N -5.37 0.00 -0.31 0.15 -0.00 -1.18 0.58 119.36 113.23 1a5j n ILE 33 Ca -0.05 0.98 0.05 0.00 -0.00 0.00 0.00 62.75 63.73 1a5j n ILE 33 Cb 0.28 -1.66 0.14 0.00 -0.00 0.00 0.00 39.64 38.40 1a5j n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a5j h ALA 34 N -2.03 0.66 -0.86 -1.39 0.00 -1.52 2.14 119.26 116.25 1a5j h ALA 34 Ca 0.00 0.33 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1a5j h ALA 34 Cb 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1a5j h ALA 34 CO 0.00 -0.41 0.57 -0.22 0.00 0.00 0.00 179.25 179.19 1a5j h LYS 35 N 0.01 1.12 -0.03 0.00 3.64 0.14 0.28 116.57 121.74 1a5j h LYS 35 Ca 0.44 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1a5j h LYS 35 Cb 0.71 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1a5j h LYS 35 CO -0.89 0.74 0.00 0.72 -2.27 0.00 0.00 179.45 177.75 1a5j n HIS 36 N -4.41 0.03 -3.26 1.91 8.25 2.37 -4.44 115.22 115.67 1a5j n HIS 36 Ca 0.10 -0.01 -0.06 0.00 -0.26 0.00 0.00 57.72 57.49 1a5j n HIS 36 Cb 0.03 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.86 -0.97 0.00 2.41 1.43 0.47 -4.86 118.68 115.30 1a5j s LEU 37 Ca 0.39 -0.81 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1a5j s LEU 37 Cb 0.19 1.40 0.03 0.00 0.03 0.00 0.00 46.19 47.84 1a5j s LEU 37 CO 0.32 -0.25 0.21 1.17 0.23 0.00 0.00 176.35 178.02 1a5j n LYS 38 N 4.68 0.64 -0.21 1.70 3.00 -0.99 -4.33 118.16 122.66 1a5j n LYS 38 Ca 0.08 -0.65 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 1a5j n LYS 38 Cb 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.44 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1a5j n GLY 39 N 3.33 2.50 0.00 3.14 0.00 -1.26 -4.89 105.19 108.02 1a5j n GLY 39 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 0.00 -3.07 1.61 1.74 -1.26 -5.04 116.66 108.64 1a5j n ARG 40 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 1a5j n ARG 40 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 1a5j n ARG 40 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1a5j s LEU 41 N 0.00 4.54 0.00 0.55 2.01 -1.26 -4.94 118.68 119.58 1a5j s LEU 41 Ca 0.00 1.48 0.08 0.00 0.01 0.00 0.00 54.13 55.71 1a5j s LEU 41 Cb 0.00 -3.16 0.43 0.00 0.01 0.00 0.00 46.19 43.47 1a5j s LEU 41 CO 0.00 0.19 1.29 0.61 1.01 0.00 0.00 176.35 179.44 1a5j n GLY 42 N 1.82 -0.74 0.00 -3.19 0.00 -1.26 -4.75 105.19 97.07 1a5j n GLY 42 Ca -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.42 2.29 -2.86 1.61 3.00 -1.26 -4.26 118.16 116.26 1a5j n LYS 43 Ca 0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.22 1a5j n LYS 43 Cb 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.08 1a5j n LYS 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a5j n GLN 44 N 0.00 -1.71 -2.49 1.64 10.64 -1.26 -4.82 117.38 119.38 1a5j n GLN 44 Ca 0.00 0.05 -0.06 0.00 -1.83 0.00 0.00 57.00 55.16 1a5j n GLN 44 Cb 0.00 -3.50 -0.01 0.00 -0.86 0.00 0.00 30.24 25.87 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1a5j n ARG 46 N -0.28 -1.38 0.00 0.00 1.74 -1.26 -4.83 116.66 110.65 1a5j n ARG 46 Ca -0.04 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 1a5j n ARG 46 Cb 0.13 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 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 -1.58 0.00 0.08 5.56 2.13 -1.26 -4.37 120.64 121.19 1a5j n GLU 47 Ca -0.21 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.58 1a5j n GLU 47 Cb 0.57 -0.16 0.18 0.00 0.27 0.00 0.00 31.44 32.30 1a5j n GLU 47 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1a5j h ARG 48 N 0.00 0.28 0.00 5.31 1.12 -1.88 0.89 114.38 120.10 1a5j h ARG 48 Ca 0.00 -0.15 -0.14 0.00 -1.11 0.00 0.00 59.98 58.57 1a5j h ARG 48 Cb 0.00 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 29.94 1a5j h ARG 48 CO 0.00 0.70 -1.78 -2.67 -3.11 0.00 0.00 179.97 173.11 1a5j n TRP 49 N -3.98 0.00 -0.07 2.20 2.14 -1.26 -4.52 117.44 111.95 1a5j n TRP 49 Ca -0.02 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.44 1a5j n TRP 49 Cb 0.53 -0.51 -0.09 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 -3.73 -2.67 2.76 -1.77 -3.41 115.15 106.33 1a5j h HIS 50 Ca -0.21 0.00 -0.79 0.00 -2.20 0.00 0.00 60.37 57.17 1a5j h HIS 50 Cb 1.35 0.00 -0.27 0.00 1.55 0.00 0.00 27.41 30.04 1a5j h HIS 50 CO 0.00 0.76 0.20 -0.80 -1.30 0.00 0.00 177.93 176.79 1a5j s ASN 51 N -6.09 6.91 0.00 3.26 0.02 0.31 -4.58 114.94 114.77 1a5j s ASN 51 Ca -0.15 -3.01 0.00 0.00 -1.02 0.00 0.00 52.86 48.69 1a5j s ASN 51 Cb -0.01 -2.20 0.00 0.00 0.02 0.00 0.00 41.25 39.06 1a5j s ASN 51 CO 0.49 -0.47 0.00 1.57 0.02 0.00 0.00 177.10 178.71 1a5j n HIS 52 N 3.52 -1.16 -1.49 2.20 -0.00 -1.25 -4.42 115.22 112.61 1a5j n HIS 52 Ca 0.17 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.40 1a5j n HIS 52 Cb 0.44 0.23 -0.03 0.00 -0.12 0.00 0.00 29.99 30.52 1a5j n HIS 52 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 1a5j n LEU 53 N -1.71 -1.45 0.00 0.27 -0.00 -1.26 -5.02 117.00 107.83 1a5j n LEU 53 Ca 0.00 2.66 0.00 0.00 -0.00 0.00 0.00 56.01 58.67 1a5j n LEU 53 Cb 0.00 -3.01 0.00 0.00 -0.00 0.00 0.00 43.42 40.41 1a5j n LEU 53 CO 0.00 -1.19 0.00 -3.20 -0.00 0.00 0.00 177.39 173.00 1a5j n ASN 54 N -3.10 0.00 -3.25 1.45 4.05 -1.26 -5.17 115.26 107.98 1a5j n ASN 54 Ca -0.03 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.00 1a5j n ASN 54 Cb 0.53 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.54 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 1a5j n PRO 55 N 0.00 1.45 -3.31 1.20 -0.04 -1.26 -5.12 135.00 127.92 1a5j n PRO 55 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1a5j n PRO 55 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 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 0.40 -0.14 0.54 2.13 -1.26 -5.04 120.64 117.27 1a5j n GLU 56 Ca 0.00 -2.03 -0.06 0.00 0.66 0.00 0.00 57.16 55.74 1a5j n GLU 56 Cb 0.00 1.83 0.12 0.00 0.27 0.00 0.00 31.44 33.67 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j h VAL 57 N 1.70 1.25 0.00 6.31 2.07 -1.90 -3.46 116.25 122.22 1a5j h VAL 57 Ca -0.17 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1a5j h VAL 57 Cb 0.81 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1a5j h VAL 57 CO 0.24 0.37 0.00 1.17 0.02 0.00 0.00 177.57 179.37 1a5j n LYS 58 N -4.21 0.00 -1.74 1.57 0.00 -1.26 -5.08 118.16 107.45 1a5j n LYS 58 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.95 1a5j n LYS 58 Cb 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.31 1a5j n LYS 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 1a5j s LYS 59 N -2.00 2.51 2.03 1.64 0.00 -1.26 -4.63 119.74 118.03 1a5j s LYS 59 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 55.97 57.26 1a5j s LYS 59 Cb 0.00 -4.46 0.00 0.00 0.00 0.00 0.00 37.83 33.37 1a5j s LYS 59 CO 0.00 -2.83 0.00 0.45 0.00 0.00 0.00 175.35 172.97 1a5j n SER 60 N 13.93 0.00 0.00 0.03 2.88 -1.26 -5.01 113.62 124.19 1a5j n SER 60 Ca 0.30 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1a5j n SER 60 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a5j n SER 61 N 0.55 0.00 -3.13 -3.46 7.64 -1.26 -4.61 113.62 109.35 1a5j n SER 61 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 1a5j n SER 61 Cb 0.00 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.37 1a5j n SER 61 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1a5j n TRP 62 N 5.52 -3.18 -2.36 1.43 7.02 -1.26 -5.07 117.44 119.55 1a5j n TRP 62 Ca 0.00 -0.51 0.00 0.00 -1.02 0.00 0.00 57.50 55.97 1a5j n TRP 62 Cb 0.00 -0.74 0.00 0.00 -2.42 0.00 0.00 31.31 28.15 1a5j n TRP 62 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1a5j n THR 63 N -4.56 0.00 0.00 -0.99 -2.24 -1.26 -4.65 114.28 100.58 1a5j n THR 63 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1a5j n THR 63 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1a5j n THR 63 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a5j n GLU 64 N 0.00 0.00 -0.22 -0.78 1.02 -1.26 -2.41 120.64 116.98 1a5j n GLU 64 Ca 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 57.16 57.45 1a5j n GLU 64 Cb 0.00 -0.40 0.68 0.00 -0.02 0.00 0.00 31.44 31.70 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 0.00 -0.16 3.49 4.11 -2.00 1.66 114.58 121.68 1a5j h GLU 65 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.27 1a5j h GLU 65 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1a5j h GLU 65 CO 0.00 0.00 -0.57 0.93 0.07 0.00 0.00 179.01 179.44 1a5j h GLU 66 N 0.00 0.51 0.20 1.06 5.08 -1.98 -1.58 114.58 117.87 1a5j h GLU 66 Ca 0.49 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1a5j h GLU 66 Cb 2.27 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.56 1a5j h GLU 66 CO -0.01 0.94 -0.10 0.22 -1.00 0.00 0.00 179.01 179.07 1a5j h ASP 67 N 0.39 -0.23 0.44 1.42 1.82 0.28 -2.78 116.42 117.77 1a5j h ASP 67 Ca 0.00 -0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 1a5j h ASP 67 Cb 1.11 0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.17 1a5j h ASP 67 CO 0.10 0.11 -0.40 0.03 -1.61 0.00 0.00 179.24 177.48 1a5j h ARG 68 N -0.58 -0.80 -0.78 0.28 2.47 -1.41 -1.86 114.38 111.70 1a5j h ARG 68 Ca -0.03 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 58.89 1a5j h ARG 68 Cb 0.43 0.18 -0.14 0.00 -1.65 0.00 0.00 29.97 28.79 1a5j h ARG 68 CO 0.04 -0.53 -0.22 -0.89 0.56 0.00 0.00 179.97 178.93 1a5j n ILE 69 N -4.85 -0.35 0.13 2.04 5.41 -0.60 0.20 119.36 121.34 1a5j n ILE 69 Ca -0.10 1.79 -0.10 0.00 1.00 0.00 0.00 62.75 65.35 1a5j n ILE 69 Cb 0.37 -2.46 -0.05 0.00 -0.71 0.00 0.00 39.64 36.79 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 0.00 1.39 1.08 -1.13 0.60 117.51 119.45 1a5j h ILE 70 Ca 0.35 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 1a5j h ILE 70 Cb 0.54 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.29 1a5j h ILE 70 CO -0.80 0.00 0.03 0.33 -0.69 0.00 0.00 178.15 177.02 1a5j n PHE 71 N -4.07 0.71 0.04 1.37 -0.00 0.17 -0.01 117.46 115.67 1a5j n PHE 71 Ca -0.06 0.37 -0.14 0.00 -0.00 0.00 0.00 57.45 57.62 1a5j n PHE 71 Cb 0.25 -1.08 -0.14 0.00 -0.00 0.00 0.00 39.48 38.51 1a5j n PHE 71 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1a5j h GLU 72 N 0.00 0.16 0.00 -4.13 4.81 0.43 -3.28 114.58 112.57 1a5j h GLU 72 Ca 0.00 -0.27 -0.24 0.00 -0.13 0.00 0.00 59.36 58.72 1a5j h GLU 72 Cb 0.05 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1a5j h GLU 72 CO 0.00 0.98 -1.32 0.00 -0.73 0.00 0.00 179.01 177.94 1a5j h ALA 73 N 0.66 0.58 0.00 2.92 0.00 0.27 -3.22 119.26 120.48 1a5j h ALA 73 Ca -0.22 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1a5j h ALA 73 Cb 1.97 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1a5j h ALA 73 CO 0.14 1.35 0.00 1.58 0.00 0.00 0.00 179.25 182.31 1a5j n HIS 74 N -3.17 0.68 -0.63 0.00 -0.00 0.98 -0.36 115.22 112.71 1a5j n HIS 74 Ca -0.08 0.30 0.09 0.00 0.46 0.00 0.00 57.72 58.49 1a5j n HIS 74 Cb 0.97 -0.99 0.32 0.00 -0.12 0.00 0.00 29.99 30.17 1a5j n HIS 74 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 1a5j n LYS 75 N -2.16 3.55 -0.00 1.57 2.85 -1.21 -3.45 118.16 119.31 1a5j n LYS 75 Ca 0.01 -2.78 -0.00 0.00 -1.05 0.00 0.00 58.31 54.48 1a5j n LYS 75 Cb 0.14 -1.82 -0.00 0.00 -0.65 0.00 0.00 35.03 32.70 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 0.77 0.04 0.00 0.58 0.31 0.51 -4.97 118.33 115.57 1a5j n VAL 76 Ca 0.23 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1a5j n VAL 76 Cb 0.84 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 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 -2.38 0.00 0.00 7.52 4.32 -0.76 -5.13 117.00 120.58 1a5j n LEU 77 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 1a5j n LEU 77 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 1a5j n LEU 77 CO 0.01 -0.49 0.00 0.61 -1.22 0.00 0.00 177.39 176.30 1a5j n GLY 78 N 3.41 0.18 1.16 -0.72 0.00 -1.22 -4.83 105.19 103.16 1a5j n GLY 78 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 3.22 -2.70 1.61 0.23 -1.26 -4.57 115.26 111.79 1a5j n ASN 79 Ca 0.00 -2.44 -0.16 0.00 -0.53 0.00 0.00 54.58 51.45 1a5j n ASN 79 Cb 0.00 -0.59 -0.06 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 1.81 -0.30 -3.83 0.63 -1.26 -4.49 116.66 109.50 1a5j n ARG 80 Ca 0.13 -1.11 0.16 0.00 -0.92 0.00 0.00 57.85 56.11 1a5j n ARG 80 Cb 0.70 -2.17 0.41 0.00 0.45 0.00 0.00 32.46 31.85 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 5.13 0.81 -0.29 -0.14 4.06 -1.88 1.46 115.95 125.10 1a5j h TRP 81 Ca 0.34 0.03 0.08 0.00 2.06 0.00 0.00 58.89 61.40 1a5j h TRP 81 Cb 0.56 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 1a5j h TRP 81 CO 1.73 0.20 0.35 0.00 -3.56 0.00 0.00 178.44 177.16 1a5j h ALA 82 N 1.62 1.93 0.00 1.49 0.00 -1.85 -0.66 119.26 121.78 1a5j h ALA 82 Ca 0.52 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 55.03 1a5j h ALA 82 Cb 1.03 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 1a5j h ALA 82 CO -0.27 -0.50 -2.47 0.39 0.00 0.00 0.00 179.25 176.39 1a5j n GLU 83 N -3.65 0.63 -0.28 0.00 -0.58 0.45 -3.87 120.64 113.35 1a5j n GLU 83 Ca 0.04 0.16 0.10 0.00 -0.42 0.00 0.00 57.16 57.05 1a5j n GLU 83 Cb 0.50 -1.51 0.25 0.00 -0.57 0.00 0.00 31.44 30.10 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 -0.13 0.41 -0.27 -3.67 1.08 0.84 0.90 117.51 116.67 1a5j h ILE 84 Ca -0.59 -0.09 -0.12 0.00 -0.39 0.00 0.00 64.86 63.67 1a5j h ILE 84 Cb 1.85 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1a5j h ILE 84 CO -0.13 0.05 -0.35 0.00 -0.69 0.00 0.00 178.15 177.03 1a5j h ALA 85 N 1.71 0.89 0.00 1.87 0.00 -1.37 -1.90 119.26 120.45 1a5j h ALA 85 Ca 0.50 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1a5j h ALA 85 Cb 0.94 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1a5j h ALA 85 CO -0.59 0.63 0.02 0.87 0.00 0.00 0.00 179.25 180.19 1a5j h LYS 86 N 0.51 0.00 0.00 0.00 1.57 0.65 0.66 116.57 119.96 1a5j h LYS 86 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1a5j h LYS 86 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1a5j h LYS 86 CO 0.07 0.00 -1.12 1.28 -0.57 0.00 0.00 179.45 179.11 1a5j n LEU 87 N -2.94 0.59 -3.79 2.94 4.77 -0.34 -4.70 117.00 113.53 1a5j n LEU 87 Ca -0.03 0.06 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 1a5j n LEU 87 Cb 0.09 -0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1a5j n LEU 87 CO 0.18 -0.01 -0.34 -0.76 -1.33 0.00 0.00 177.39 175.13 1a5j s LEU 88 N -4.29 2.59 -0.50 2.23 1.02 0.23 -5.08 118.68 114.88 1a5j s LEU 88 Ca 0.02 -1.63 -0.28 0.00 0.02 0.00 0.00 54.13 52.25 1a5j s LEU 88 Cb 0.13 -0.99 0.01 0.00 0.02 0.00 0.00 46.19 45.36 1a5j s LEU 88 CO 0.81 -0.39 1.46 -2.16 0.02 0.00 0.00 176.35 176.09 1a5j s PRO 89 N 1.50 3.36 0.00 1.29 0.04 -1.23 -3.33 135.00 136.63 1a5j s PRO 89 Ca 0.08 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.81 1a5j s PRO 89 Cb -0.18 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1a5j s PRO 89 CO -0.20 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.40 1a5j n GLY 90 N 5.23 0.46 3.35 0.56 0.00 -1.26 -5.14 105.19 108.39 1a5j n GLY 90 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 1.34 0.00 1.61 1.81 -1.21 -5.16 118.95 117.34 1a5j s ARG 91 Ca 0.00 -1.56 0.00 0.00 -1.72 0.00 0.00 55.73 52.45 1a5j s ARG 91 Cb 0.00 -1.21 0.00 0.00 -0.45 0.00 0.00 34.95 33.29 1a5j s ARG 91 CO 0.00 0.21 0.00 0.25 -0.68 0.00 0.00 175.30 175.08 1a5j n THR 92 N -0.24 0.00 -0.05 0.02 -2.24 -1.26 -4.73 114.28 105.79 1a5j n THR 92 Ca -0.09 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1a5j n THR 92 Cb 0.60 -1.02 -0.11 0.00 -2.10 0.00 0.00 70.33 67.69 1a5j n THR 92 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1a5j h ASP 93 N 0.00 -0.01 0.15 3.42 3.32 -1.90 -2.96 116.42 118.43 1a5j h ASP 93 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1a5j h ASP 93 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1a5j h ASP 93 CO 0.00 0.80 0.00 0.59 -1.72 0.00 0.00 179.24 178.91 1a5j n ASN 94 N -4.71 0.52 0.02 6.45 3.02 -1.26 -0.91 115.26 118.39 1a5j n ASN 94 Ca -0.09 0.71 -0.01 0.00 -0.03 0.00 0.00 54.58 55.16 1a5j n ASN 94 Cb 0.39 -0.79 -0.01 0.00 -0.61 0.00 0.00 39.78 38.76 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 2.06 -0.24 0.09 5.41 0.00 -1.92 -2.90 119.26 121.76 1a5j h ALA 95 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a5j h ALA 95 Cb 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1a5j h ALA 95 CO 0.00 -0.23 -0.23 0.28 0.00 0.00 0.00 179.25 179.07 1a5j h VAL 96 N -0.29 0.49 -0.79 0.00 2.07 -1.34 0.20 116.25 116.58 1a5j h VAL 96 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1a5j h VAL 96 Cb 0.06 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1a5j h VAL 96 CO 0.01 0.00 -0.47 1.17 0.02 0.00 0.00 177.57 178.31 1a5j n LYS 97 N -5.35 -0.35 -0.30 1.57 4.81 -0.09 0.12 118.16 118.57 1a5j n LYS 97 Ca -0.06 1.39 0.01 0.00 -0.87 0.00 0.00 58.31 58.77 1a5j n LYS 97 Cb 0.26 -2.04 0.14 0.00 0.02 0.00 0.00 35.03 33.41 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 0.81 -0.02 3.14 -0.73 -1.26 0.29 115.58 117.80 1a5j h ASN 98 Ca 0.13 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.32 1a5j h ASN 98 Cb 0.32 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 1a5j h ASN 98 CO -0.74 0.52 0.34 -0.74 -0.37 0.00 0.00 177.43 176.44 1a5j h HIS 99 N 0.94 0.00 -0.08 0.67 2.76 0.41 2.00 115.15 121.84 1a5j h HIS 99 Ca 0.37 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.40 1a5j h HIS 99 Cb 0.18 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.15 1a5j h HIS 99 CO -0.04 0.00 -0.51 2.35 -1.30 0.00 0.00 177.93 178.44 1a5j h TRP 100 N 0.00 0.67 -0.02 5.26 -0.00 0.21 -1.99 115.95 120.08 1a5j h TRP 100 Ca 0.01 -0.31 0.00 0.00 -0.00 0.00 0.00 58.89 58.59 1a5j h TRP 100 Cb 0.70 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 29.76 1a5j h TRP 100 CO 0.00 1.09 -0.06 0.09 -0.00 0.00 0.00 178.44 179.56 1a5j n ASN 101 N -4.24 1.92 0.00 2.65 3.02 0.23 0.20 115.26 119.05 1a5j n ASN 101 Ca -0.08 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.89 1a5j n ASN 101 Cb 0.61 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 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 0.41 0.00 0.00 6.41 7.64 0.61 -4.77 113.62 123.92 1a5j n SER 102 Ca 0.16 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1a5j n SER 102 Cb 0.43 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.35 0.00 -1.79 0.44 -1.04 -1.16 -4.77 114.28 104.61 1a5j n THR 103 Ca 0.00 -0.21 -0.33 0.00 -2.04 0.00 0.00 64.05 61.48 1a5j n THR 103 Cb 0.00 1.19 0.05 0.00 -1.82 0.00 0.00 70.33 69.74 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 -0.28 3.21 -1.55 12.58 5.41 -0.76 -4.59 119.36 133.38 1a5j n ILE 104 Ca 0.00 -3.83 -0.22 0.00 1.00 0.00 0.00 62.75 59.71 1a5j n ILE 104 Cb 0.05 -1.19 0.11 0.00 -0.71 0.00 0.00 39.64 37.90 1a5j n ILE 104 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1a5j n LYS 105 N -0.72 2.62 0.00 0.38 -0.00 0.13 -4.51 118.16 116.06 1a5j n LYS 105 Ca 0.53 -3.47 0.00 0.00 -0.00 0.00 0.00 58.31 55.38 1a5j n LYS 105 Cb 0.63 -2.13 0.00 0.00 -0.00 0.00 0.00 35.03 33.52 1a5j n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1a5j n ARG 106 N -0.95 0.00 -0.93 -1.58 5.12 -1.26 -4.45 116.66 112.60 1a5j n ARG 106 Ca 0.49 0.17 -0.41 0.00 -1.93 0.00 0.00 57.85 56.16 1a5j n ARG 106 Cb 0.98 -0.60 -0.07 0.00 -1.16 0.00 0.00 32.46 31.61 1a5j n ARG 106 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1a5j n LYS 107 N -1.38 1.12 -0.08 5.56 0.00 -1.26 -4.43 118.16 117.69 1a5j n LYS 107 Ca 0.00 -1.57 -0.12 0.00 0.00 0.00 0.00 58.31 56.62 1a5j n LYS 107 Cb 0.00 -2.76 -0.08 0.00 0.00 0.00 0.00 35.03 32.19 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1a5j h VAL 108 N 4.53 0.94 -1.39 3.15 2.07 -1.93 -3.44 116.25 120.18 1a5j h VAL 108 Ca 0.38 -1.84 -0.31 0.00 0.82 0.00 0.00 66.70 65.74 1a5j h VAL 108 Cb 0.63 1.91 -0.24 0.00 -1.52 0.00 0.00 31.29 32.07 1a5j h VAL 108 CO 1.93 0.32 -0.67 -0.67 0.02 0.00 0.00 177.57 178.50 1a5j n ASP 109 N -4.60 -2.33 0.00 0.57 -0.08 -1.26 -5.22 116.55 103.63 1a5j n ASP 109 Ca -0.14 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.37 1a5j n ASP 109 Cb 0.41 0.94 0.00 0.00 2.34 0.00 0.00 41.12 44.81 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73