#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5j n ILE 2 N 0.00 -0.76 -0.04 -0.61 2.08 -1.26 -5.13 119.36 113.64 1a5j n ILE 2 Ca 0.00 -3.32 0.00 0.00 0.56 0.00 0.00 62.75 59.99 1a5j n ILE 2 Cb 0.00 -1.28 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 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 2.05 0.91 -0.74 0.38 -0.04 -1.26 -4.92 135.00 131.40 1a5j n PRO 3 Ca 0.23 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.40 1a5j n PRO 3 Cb 0.52 0.00 0.22 0.00 -0.04 0.00 0.00 33.50 34.21 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 1.59 -0.28 3.54 2.15 -1.26 -3.26 116.67 117.89 1a5j s ASP 4 Ca 0.00 1.48 0.00 0.00 0.43 0.00 0.00 52.55 54.46 1a5j s ASP 4 Cb 0.00 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1a5j s ASP 4 CO 0.00 -3.82 0.00 0.18 -0.17 0.00 0.00 175.17 171.36 1a5j n LEU 5 N -4.66 0.09 -0.09 -1.34 4.32 -1.26 -4.82 117.00 109.24 1a5j n LEU 5 Ca 0.04 0.07 -0.08 0.00 -0.02 0.00 0.00 56.01 56.02 1a5j n LEU 5 Cb 0.55 -1.37 -0.16 0.00 -1.62 0.00 0.00 43.42 40.82 1a5j n LEU 5 CO 0.57 -0.42 -1.12 0.52 -1.22 0.00 0.00 177.39 175.72 1a5j n VAL 6 N -2.64 1.26 0.69 4.08 0.31 -1.20 -3.71 118.33 117.11 1a5j n VAL 6 Ca -0.03 -0.82 0.00 0.00 -0.01 0.00 0.00 64.34 63.49 1a5j n VAL 6 Cb 0.23 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 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 -2.70 0.69 0.00 5.55 4.01 -1.26 -3.87 118.16 120.58 1a5j n LYS 7 Ca -0.30 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.50 1a5j n LYS 7 Cb 1.10 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 34.36 1a5j n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5j n GLY 8 N 0.37 -1.74 3.66 0.72 0.00 -1.26 -5.13 105.19 101.81 1a5j n GLY 8 Ca 0.00 0.72 -0.43 0.00 0.00 0.00 0.00 46.02 46.31 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 4.23 0.95 1.61 0.04 -1.24 -4.94 135.00 135.66 1a5j s PRO 9 Ca 0.00 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 1a5j s PRO 9 Cb 0.00 -3.77 0.18 0.00 0.04 0.00 0.00 34.50 30.95 1a5j s PRO 9 CO 0.00 -0.71 1.23 -1.58 0.04 0.00 0.00 177.00 175.98 1a5j s TRP 10 N 3.49 1.89 0.00 0.56 0.52 -1.26 -5.09 118.94 119.05 1a5j s TRP 10 Ca 0.55 0.53 0.00 0.00 0.02 0.00 0.00 56.10 57.20 1a5j s TRP 10 Cb -0.22 -3.77 0.00 0.00 -1.15 0.00 0.00 33.47 28.33 1a5j s TRP 10 CO 0.15 -2.59 0.00 0.25 0.02 0.00 0.00 176.95 174.78 1a5j n THR 11 N -3.81 0.00 0.06 2.01 -2.24 -1.26 -5.03 114.28 104.01 1a5j n THR 11 Ca 0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.77 1a5j n THR 11 Cb 0.60 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.12 -1.13 -0.78 3.64 -1.98 -2.05 116.57 114.15 1a5j h LYS 12 Ca 0.00 0.01 0.41 0.00 -1.27 0.00 0.00 60.65 59.80 1a5j h LYS 12 Cb 0.00 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 31.69 1a5j h LYS 12 CO 0.00 0.09 0.66 1.49 -2.27 0.00 0.00 179.45 179.42 1a5j h GLU 13 N -0.31 0.08 0.04 1.90 4.81 -1.97 1.43 114.58 120.56 1a5j h GLU 13 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1a5j h GLU 13 Cb 0.26 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.62 1a5j h GLU 13 CO 0.02 0.05 -0.02 0.93 -0.73 0.00 0.00 179.01 179.26 1a5j h GLU 14 N 0.08 -0.05 0.95 1.92 4.39 -1.86 -2.87 114.58 117.14 1a5j h GLU 14 Ca 0.83 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.48 1a5j h GLU 14 Cb 2.30 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.97 1a5j h GLU 14 CO -0.62 0.55 -0.46 -0.44 -1.16 0.00 0.00 179.01 176.87 1a5j h ASP 15 N -0.71 -1.10 -1.22 1.42 5.19 0.78 -2.24 116.42 118.54 1a5j h ASP 15 Ca -0.01 0.04 0.42 0.00 -0.62 0.00 0.00 57.03 56.86 1a5j h ASP 15 Cb 0.62 0.29 -0.14 0.00 0.18 0.00 0.00 39.33 40.28 1a5j h ASP 15 CO 0.01 -0.78 0.75 0.06 -3.12 0.00 0.00 179.24 176.16 1a5j h GLN 16 N -1.29 0.09 -0.37 3.56 3.07 0.15 1.16 115.11 121.49 1a5j h GLN 16 Ca -0.13 -0.01 0.07 0.00 0.09 0.00 0.00 58.65 58.67 1a5j h GLN 16 Cb 0.99 -0.02 -0.06 0.00 0.08 0.00 0.00 27.48 28.47 1a5j h GLN 16 CO 0.21 0.06 -0.00 -0.22 0.09 0.00 0.00 178.83 178.97 1a5j h LYS 17 N 0.10 0.09 -0.40 0.06 3.64 -1.16 0.43 116.57 119.34 1a5j h LYS 17 Ca 0.82 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 60.25 1a5j h LYS 17 Cb 2.41 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 34.15 1a5j h LYS 17 CO -0.52 0.06 0.09 0.28 -2.27 0.00 0.00 179.45 177.09 1a5j h VAL 18 N 0.10 0.81 -0.58 2.00 2.07 0.15 1.78 116.25 122.57 1a5j h VAL 18 Ca 0.18 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1a5j h VAL 18 Cb 0.25 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1a5j h VAL 18 CO -0.30 0.04 0.36 0.40 0.02 0.00 0.00 177.57 178.09 1a5j h ILE 19 N 0.22 1.16 0.00 4.57 5.03 -0.86 0.31 117.51 127.94 1a5j h ILE 19 Ca 0.19 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.58 1a5j h ILE 19 Cb 0.22 0.32 -0.00 0.00 -3.03 0.00 0.00 36.82 34.33 1a5j h ILE 19 CO -0.24 0.16 -0.13 -0.08 -0.68 0.00 0.00 178.15 177.18 1a5j h GLU 20 N 0.80 0.00 0.07 2.37 4.81 0.20 -2.45 114.58 120.38 1a5j h GLU 20 Ca 0.21 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.30 1a5j h GLU 20 Cb -0.05 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.34 1a5j h GLU 20 CO -0.04 0.10 -0.61 -0.07 -0.73 0.00 0.00 179.01 177.65 1a5j h LEU 21 N 0.00 0.42 -1.30 1.64 3.38 0.46 -2.46 115.31 117.44 1a5j h LEU 21 Ca -0.00 -0.88 -0.07 0.00 0.09 0.00 0.00 57.88 57.02 1a5j h LEU 21 Cb 1.08 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1a5j h LEU 21 CO 0.01 1.26 -0.32 0.58 0.09 0.00 0.00 178.44 180.05 1a5j h VAL 22 N -0.37 1.03 -0.18 1.22 2.07 -0.54 0.64 116.25 120.13 1a5j h VAL 22 Ca -0.10 -1.20 -0.16 0.00 0.82 0.00 0.00 66.70 66.06 1a5j h VAL 22 Cb 1.41 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1a5j h VAL 22 CO 0.12 0.32 -0.56 0.07 0.02 0.00 0.00 177.57 177.53 1a5j h LYS 23 N 0.00 0.55 0.00 1.57 5.09 -1.46 1.55 116.57 123.88 1a5j h LYS 23 Ca -0.00 -0.35 -0.17 0.00 0.09 0.00 0.00 60.65 60.21 1a5j h LYS 23 Cb 0.66 0.04 -0.03 0.00 0.10 0.00 0.00 32.23 33.00 1a5j h LYS 23 CO 0.04 0.96 -1.05 -0.22 -2.09 0.00 0.00 179.45 177.09 1a5j h LYS 24 N 0.42 0.00 0.00 0.07 3.11 -0.92 -3.37 116.57 115.88 1a5j h LYS 24 Ca 0.00 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 1a5j h LYS 24 Cb 1.11 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.33 1a5j h LYS 24 CO 0.11 0.56 -0.32 1.88 -2.81 0.00 0.00 179.45 178.86 1a5j h TYR 25 N 0.00 0.00 -2.84 1.91 -1.99 0.42 -3.49 116.97 110.97 1a5j h TYR 25 Ca -0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1a5j h TYR 25 Cb 1.62 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.35 1a5j h TYR 25 CO 0.00 0.34 -0.10 0.41 -0.00 0.00 0.00 178.16 178.81 1a5j n GLY 26 N 1.66 0.00 0.22 3.88 0.00 0.53 -4.79 105.19 106.68 1a5j n GLY 26 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 1.48 0.00 0.00 2.61 5.66 -1.26 -5.00 114.28 117.77 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 0.05 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.83 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 -2.87 0.00 -3.63 1.09 4.81 -1.26 -5.11 118.16 111.19 1a5j n LYS 28 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 1a5j n LYS 28 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1a5j s GLN 29 N 0.00 2.57 0.00 1.64 -0.21 -1.26 -4.81 119.66 117.58 1a5j s GLN 29 Ca 0.00 -2.18 0.15 0.00 0.02 0.00 0.00 55.36 53.35 1a5j s GLN 29 Cb 0.00 -3.85 0.01 0.00 1.00 0.00 0.00 33.01 30.17 1a5j s GLN 29 CO 0.00 -1.18 0.82 0.91 -2.12 0.00 0.00 175.29 173.72 1a5j n TRP 30 N 4.14 0.00 0.07 0.91 7.02 -1.26 -4.41 117.44 123.92 1a5j n TRP 30 Ca 0.02 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.29 1a5j n TRP 30 Cb 0.40 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.16 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 1.75 1.35 -0.38 -0.99 1.03 -2.00 -3.30 112.91 110.37 1a5j h THR 31 Ca 0.00 -2.41 0.07 0.00 -0.01 0.00 0.00 66.41 64.06 1a5j h THR 31 Cb 0.51 2.79 -0.07 0.00 -1.07 0.00 0.00 68.15 70.31 1a5j h THR 31 CO 0.00 0.72 -0.05 0.17 -0.01 0.00 0.00 175.52 176.35 1a5j h LEU 32 N 0.08 -0.26 -0.93 0.00 8.10 -1.95 1.61 115.31 121.95 1a5j h LEU 32 Ca -0.16 0.10 0.25 0.00 0.11 0.00 0.00 57.88 58.18 1a5j h LEU 32 Cb 1.76 0.20 -0.17 0.00 -0.44 0.00 0.00 40.66 42.01 1a5j h LEU 32 CO 0.20 -0.09 0.07 0.40 -4.11 0.00 0.00 178.44 174.92 1a5j h ILE 33 N 0.05 0.12 0.00 0.15 5.03 -1.80 6.74 117.51 127.80 1a5j h ILE 33 Ca 0.18 -0.02 -0.10 0.00 -0.12 0.00 0.00 64.86 64.80 1a5j h ILE 33 Cb 0.27 0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.10 1a5j h ILE 33 CO -0.35 0.01 -0.89 0.00 -0.68 0.00 0.00 178.15 176.23 1a5j h ALA 34 N 1.91 0.67 0.03 1.87 0.00 -1.13 -3.02 119.26 119.58 1a5j h ALA 34 Ca 0.57 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 1a5j h ALA 34 Cb 1.16 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.05 1a5j h ALA 34 CO -0.84 0.57 -0.94 -0.22 0.00 0.00 0.00 179.25 177.83 1a5j h LYS 35 N 0.00 0.58 -0.25 0.00 3.11 1.42 -3.03 116.57 118.41 1a5j h LYS 35 Ca -0.06 -0.67 0.00 0.00 -2.81 0.00 0.00 60.65 57.11 1a5j h LYS 35 Cb 1.36 0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.79 1a5j h LYS 35 CO 0.04 1.27 0.00 0.72 -2.81 0.00 0.00 179.45 178.67 1a5j n HIS 36 N -3.97 0.27 -3.23 1.91 8.25 2.05 -4.53 115.22 115.97 1a5j n HIS 36 Ca -0.12 -0.13 -0.02 0.00 -0.26 0.00 0.00 57.72 57.19 1a5j n HIS 36 Cb 0.84 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.98 -1.14 0.00 2.41 1.43 -1.14 -4.83 118.68 114.43 1a5j s LEU 37 Ca 0.13 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1a5j s LEU 37 Cb 0.07 1.61 0.00 0.00 0.03 0.00 0.00 46.19 47.90 1a5j s LEU 37 CO 0.08 -0.31 0.00 0.29 0.23 0.00 0.00 176.35 176.64 1a5j n LYS 38 N 5.39 3.19 0.00 1.70 4.76 -1.25 -4.44 118.16 127.52 1a5j n LYS 38 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1a5j n LYS 38 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a5j n GLY 39 N 5.00 1.14 3.40 0.72 0.00 -1.26 -4.76 105.19 109.42 1a5j n GLY 39 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 0.51 -0.93 1.61 1.74 -1.26 -5.09 116.66 113.24 1a5j n ARG 40 Ca 0.00 -3.51 -0.31 0.00 -0.77 0.00 0.00 57.85 53.27 1a5j n ARG 40 Cb 0.00 2.26 0.14 0.00 -1.02 0.00 0.00 32.46 33.84 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 2.81 0.71 0.55 2.01 -1.26 -4.91 118.68 118.59 1a5j s LEU 41 Ca 0.29 1.99 -0.17 0.00 0.01 0.00 0.00 54.13 56.25 1a5j s LEU 41 Cb 0.01 -4.47 -0.13 0.00 0.01 0.00 0.00 46.19 41.61 1a5j s LEU 41 CO 0.20 -2.73 -0.26 0.61 1.01 0.00 0.00 176.35 175.19 1a5j n GLY 42 N -0.37 -3.45 3.58 -3.19 0.00 -1.26 -4.60 105.19 95.90 1a5j n GLY 42 Ca 0.10 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 1a5j n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a5j s LYS 43 N -1.62 1.83 -0.83 1.61 2.47 -1.26 -3.66 119.74 118.28 1a5j s LYS 43 Ca 0.52 -0.79 -0.02 0.00 -1.56 0.00 0.00 55.97 54.12 1a5j s LYS 43 Cb -0.37 -5.11 -0.01 0.00 -1.46 0.00 0.00 37.83 30.88 1a5j s LYS 43 CO 0.71 -4.75 0.73 1.04 0.16 0.00 0.00 175.35 173.23 1a5j n GLN 44 N 8.23 -1.49 -1.27 4.03 6.02 -1.26 -4.67 117.38 126.98 1a5j n GLN 44 Ca 0.43 1.24 -0.60 0.00 -0.01 0.00 0.00 57.00 58.06 1a5j n GLN 44 Cb 0.47 -5.24 -0.12 0.00 1.02 0.00 0.00 30.24 26.37 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a5j n ARG 46 N 7.31 -1.63 0.00 0.00 1.74 -1.26 -5.11 116.66 117.71 1a5j n ARG 46 Ca 0.54 1.54 0.00 0.00 -0.77 0.00 0.00 57.85 59.16 1a5j n ARG 46 Cb -0.04 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 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 0.59 0.00 -0.05 5.56 1.02 -1.21 -4.76 120.64 121.79 1a5j n GLU 47 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1a5j n GLU 47 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 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 -0.20 0.00 0.00 3.49 0.00 -1.26 -4.64 116.66 114.05 1a5j n ARG 48 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a5j n ARG 48 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 31.29 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 -2.00 0.00 -0.31 -0.14 2.14 -1.26 -4.90 117.44 110.98 1a5j n TRP 49 Ca 0.00 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.73 1a5j n TRP 49 Cb 0.00 0.00 0.31 0.00 -0.81 0.00 0.00 31.31 30.81 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 -0.90 0.65 -0.88 -2.67 -0.00 -1.26 -4.46 115.22 105.70 1a5j n HIS 50 Ca 0.00 1.08 0.00 0.00 0.46 0.00 0.00 57.72 59.26 1a5j n HIS 50 Cb 0.00 -1.22 0.00 0.00 -0.12 0.00 0.00 29.99 28.65 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 -5.27 0.00 0.00 0.26 3.02 -1.26 -4.79 115.26 107.22 1a5j n ASN 51 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1a5j n ASN 51 Cb 0.77 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1a5j n ASN 51 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1a5j n HIS 52 N 0.00 0.00 -0.83 3.10 -0.00 -1.26 -4.47 115.22 111.76 1a5j n HIS 52 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 1a5j n HIS 52 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1a5j n HIS 52 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1a5j n LEU 53 N 0.00 -0.28 -4.73 0.27 0.00 -1.26 -4.76 117.00 106.24 1a5j n LEU 53 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 56.01 55.58 1a5j n LEU 53 Cb 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 43.42 43.09 1a5j n LEU 53 CO 0.00 -0.58 0.83 0.54 0.00 0.00 0.00 177.39 178.18 1a5j s ASN 54 N 2.73 4.37 0.00 1.96 2.20 -1.26 -5.03 114.94 119.91 1a5j s ASN 54 Ca 0.74 2.44 0.00 0.00 -0.94 0.00 0.00 52.86 55.10 1a5j s ASN 54 Cb -0.59 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.06 1a5j s ASN 54 CO 0.29 -2.15 0.00 -0.81 -2.94 0.00 0.00 177.10 171.49 1a5j n PRO 55 N -2.41 1.51 -0.85 3.55 -0.04 -1.26 -5.10 135.00 130.40 1a5j n PRO 55 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1a5j n PRO 55 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 1.45 0.20 0.54 2.13 -1.26 -4.99 120.64 118.71 1a5j n GLU 56 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1a5j n GLU 56 Cb 0.00 0.00 0.44 0.00 0.27 0.00 0.00 31.44 32.15 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 0.05 1.16 0.00 6.31 2.07 -1.86 -3.39 116.25 120.58 1a5j h VAL 57 Ca 0.00 -0.99 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1a5j h VAL 57 Cb 0.00 1.54 -0.12 0.00 -1.52 0.00 0.00 31.29 31.19 1a5j h VAL 57 CO 0.00 0.28 -0.01 1.17 0.02 0.00 0.00 177.57 179.03 1a5j n LYS 58 N -4.13 0.14 0.00 1.57 4.81 -1.26 -5.03 118.16 114.26 1a5j n LYS 58 Ca -0.02 -0.72 0.00 0.00 -0.87 0.00 0.00 58.31 56.70 1a5j n LYS 58 Cb 0.34 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.17 1a5j n LYS 58 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1a5j n LYS 59 N 1.14 0.00 -1.51 1.64 3.00 -1.26 -3.79 118.16 117.37 1a5j n LYS 59 Ca -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.02 1a5j n LYS 59 Cb 0.72 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.60 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 -3.98 0.01 0.00 3.14 3.41 -1.26 -4.49 113.62 110.45 1a5j n SER 60 Ca 0.00 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1a5j n SER 60 Cb 0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 1a5j n SER 60 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1a5j n SER 61 N 10.29 0.00 -4.20 4.04 2.88 -1.25 -5.15 113.62 120.23 1a5j n SER 61 Ca 0.61 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.86 1a5j n SER 61 Cb 0.20 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.91 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1a5j s TRP 62 N -3.76 0.87 0.00 0.66 0.52 -1.26 -4.94 118.94 111.03 1a5j s TRP 62 Ca 0.00 0.94 0.00 0.00 0.02 0.00 0.00 56.10 57.06 1a5j s TRP 62 Cb 0.00 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 1a5j s TRP 62 CO 0.00 -4.11 0.00 0.25 0.02 0.00 0.00 176.95 173.11 1a5j n THR 63 N -5.05 0.00 0.00 2.01 -2.24 -1.26 -4.04 114.28 103.70 1a5j n THR 63 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1a5j n THR 63 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.39 120.64 116.81 1a5j n GLU 64 Ca 0.00 0.05 0.34 0.00 -0.02 0.00 0.00 57.16 57.53 1a5j n GLU 64 Cb 0.00 -0.55 0.63 0.00 -0.02 0.00 0.00 31.44 31.50 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 0.15 -0.62 3.49 5.08 -1.99 1.45 114.58 122.13 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 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1a5j h GLU 65 CO 0.00 0.10 0.04 0.93 -1.00 0.00 0.00 179.01 179.08 1a5j h GLU 66 N 0.15 1.07 0.26 2.33 5.08 -1.98 -0.93 114.58 120.57 1a5j h GLU 66 Ca 0.74 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1a5j h GLU 66 Cb 2.34 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 31.49 1a5j h GLU 66 CO -0.32 1.02 -0.13 0.22 -1.00 0.00 0.00 179.01 178.81 1a5j h ASP 67 N 0.98 -0.30 0.45 1.42 1.82 0.23 -1.93 116.42 119.09 1a5j h ASP 67 Ca 0.18 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 1a5j h ASP 67 Cb 0.51 0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.58 1a5j h ASP 67 CO 0.02 -0.19 -0.44 0.03 -1.61 0.00 0.00 179.24 177.06 1a5j h ARG 68 N -0.38 -0.85 -0.95 0.28 2.47 -1.24 -0.60 114.38 113.12 1a5j h ARG 68 Ca -0.04 0.06 0.26 0.00 -1.26 0.00 0.00 59.98 59.00 1a5j h ARG 68 Cb 0.29 0.19 -0.18 0.00 -1.65 0.00 0.00 29.97 28.63 1a5j h ARG 68 CO 0.06 -0.57 0.01 -0.89 0.56 0.00 0.00 179.97 179.14 1a5j n ILE 69 N -5.07 -0.40 0.06 2.04 5.41 -0.36 0.76 119.36 121.80 1a5j n ILE 69 Ca -0.11 2.10 -0.03 0.00 1.00 0.00 0.00 62.75 65.72 1a5j n ILE 69 Cb 0.40 -3.06 -0.01 0.00 -0.71 0.00 0.00 39.64 36.26 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 -0.73 1.39 1.08 -0.61 0.38 117.51 119.01 1a5j h ILE 70 Ca 0.57 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 65.25 1a5j h ILE 70 Cb 1.17 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1a5j h ILE 70 CO -0.90 0.00 0.84 0.15 -0.69 0.00 0.00 178.15 177.55 1a5j h PHE 71 N -0.17 0.00 0.00 1.37 3.04 0.66 0.34 116.94 122.19 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 0.13 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.64 1a5j h PHE 71 CO 0.15 0.00 0.00 0.39 -2.02 0.00 0.00 178.31 176.83 1a5j n GLU 72 N -3.46 0.00 0.20 1.11 1.02 0.23 -2.55 120.64 117.18 1a5j n GLU 72 Ca 0.16 0.47 0.16 0.00 -0.02 0.00 0.00 57.16 57.93 1a5j n GLU 72 Cb 1.09 -1.03 0.61 0.00 -0.02 0.00 0.00 31.44 32.08 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a5j h ALA 73 N -2.00 1.87 -0.17 0.62 0.00 0.54 1.13 119.26 121.25 1a5j h ALA 73 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 1a5j h ALA 73 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1a5j h ALA 73 CO 0.00 -0.72 -0.51 1.25 0.00 0.00 0.00 179.25 179.27 1a5j h HIS 74 N 0.00 0.85 -0.12 0.00 -0.00 -0.42 -0.93 115.15 114.53 1a5j h HIS 74 Ca 0.11 -0.34 0.00 0.00 -0.00 0.00 0.00 60.37 60.15 1a5j h HIS 74 Cb 1.30 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 1a5j h HIS 74 CO 0.00 1.12 0.00 0.36 -0.00 0.00 0.00 177.93 179.41 1a5j n LYS 75 N -4.16 1.36 -0.00 5.26 2.85 0.38 0.16 118.16 124.00 1a5j n LYS 75 Ca -0.07 -0.55 0.04 0.00 -1.05 0.00 0.00 58.31 56.68 1a5j n LYS 75 Cb 0.60 -1.25 -0.05 0.00 -0.65 0.00 0.00 35.03 33.68 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 -0.15 0.00 0.01 0.58 0.31 -0.38 -4.80 118.33 113.88 1a5j n VAL 76 Ca 0.11 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1a5j n VAL 76 Cb 0.17 0.67 0.00 0.00 -0.91 0.00 0.00 33.84 33.76 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 -1.47 0.02 0.00 7.52 4.77 -0.38 -5.05 117.00 122.41 1a5j n LEU 77 Ca 0.00 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1a5j n LEU 77 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1a5j n LEU 77 CO 0.16 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1a5j n GLY 78 N 2.22 2.32 0.52 -0.72 0.00 0.42 -4.67 105.19 105.28 1a5j n GLY 78 Ca 0.00 -0.65 -0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -3.10 1.61 6.94 -1.26 -4.76 115.26 114.69 1a5j n ASN 79 Ca 0.00 -1.57 -0.19 0.00 -0.02 0.00 0.00 54.58 52.80 1a5j n ASN 79 Cb 0.00 -0.11 -0.02 0.00 -2.36 0.00 0.00 39.78 37.29 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 0.01 1.84 -0.29 -3.83 3.00 -1.26 -4.52 116.66 111.60 1a5j n ARG 80 Ca -0.00 -1.31 0.16 0.00 -0.01 0.00 0.00 57.85 56.69 1a5j n ARG 80 Cb 0.62 -2.37 0.43 0.00 0.00 0.00 0.00 32.46 31.14 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 6.34 0.76 -0.00 -1.55 4.06 -1.93 1.85 115.95 125.48 1a5j h TRP 81 Ca 0.43 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.40 1a5j h TRP 81 Cb 0.18 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 28.11 1a5j h TRP 81 CO 1.93 0.20 0.08 0.00 -3.56 0.00 0.00 178.44 177.10 1a5j h ALA 82 N 1.62 1.11 0.00 1.49 0.00 -1.86 -1.50 119.26 120.11 1a5j h ALA 82 Ca 0.51 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 55.15 1a5j h ALA 82 Cb 1.02 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 1a5j h ALA 82 CO -0.25 -0.09 -2.02 0.39 0.00 0.00 0.00 179.25 177.29 1a5j n GLU 83 N -3.07 1.12 -0.17 0.00 -0.58 0.56 -4.16 120.64 114.34 1a5j n GLU 83 Ca -0.03 0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.74 1a5j n GLU 83 Cb 0.15 -1.37 0.07 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.54 -0.54 -3.67 1.08 0.15 0.95 117.51 116.02 1a5j h ILE 84 Ca -0.40 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 1a5j h ILE 84 Cb 1.78 0.45 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 1a5j h ILE 84 CO -0.02 0.02 0.25 0.00 -0.69 0.00 0.00 178.15 177.71 1a5j h ALA 85 N 1.50 0.70 -0.61 1.87 0.00 -1.49 -0.95 119.26 120.27 1a5j h ALA 85 Ca 0.27 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.23 1a5j h ALA 85 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1a5j h ALA 85 CO -0.48 0.27 0.67 0.87 0.00 0.00 0.00 179.25 180.59 1a5j h LYS 86 N 0.73 0.00 0.06 0.00 1.57 -1.00 1.47 116.57 119.40 1a5j h LYS 86 Ca 0.18 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.67 1a5j h LYS 86 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1a5j h LYS 86 CO -0.02 0.00 -1.58 -0.07 -0.57 0.00 0.00 179.45 177.21 1a5j h LEU 87 N 0.00 0.19 -8.16 2.94 3.38 -0.38 -3.42 115.31 109.85 1a5j h LEU 87 Ca 0.29 -0.31 -0.71 0.00 0.09 0.00 0.00 57.88 57.24 1a5j h LEU 87 Cb 1.63 -0.06 -0.27 0.00 0.09 0.00 0.00 40.66 42.05 1a5j h LEU 87 CO -0.00 1.27 -0.48 -0.76 0.09 0.00 0.00 178.44 178.56 1a5j s LEU 88 N -6.61 5.07 -1.23 1.67 1.02 0.50 -5.01 118.68 114.09 1a5j s LEU 88 Ca -0.08 -1.41 -0.20 0.00 0.02 0.00 0.00 54.13 52.47 1a5j s LEU 88 Cb 0.08 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 1a5j s LEU 88 CO 0.83 -0.51 1.86 -0.81 0.02 0.00 0.00 176.35 177.74 1a5j n PRO 89 N 4.93 2.39 0.00 1.29 -0.04 -1.24 -3.59 135.00 138.74 1a5j n PRO 89 Ca -0.10 -2.81 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 1a5j n PRO 89 Cb 0.43 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.34 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 5.45 0.00 0.00 0.55 0.00 -1.26 -5.16 105.19 104.76 1a5j n GLY 90 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1a5j n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5j n ARG 91 N 0.00 -2.52 0.00 1.61 3.00 -1.24 -5.10 116.66 112.42 1a5j n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1a5j n ARG 91 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 1.47 0.00 -0.05 5.15 -2.24 -1.26 -4.75 114.28 112.60 1a5j n THR 92 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1a5j n THR 92 Cb 0.00 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.00 1.23 -0.50 3.42 5.75 -1.26 -3.39 116.55 121.81 1a5j n ASP 93 Ca 0.00 0.39 0.44 0.00 -0.01 0.00 0.00 54.79 55.61 1a5j n ASP 93 Cb 0.00 -0.71 0.79 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.66 0.00 0.12 -1.12 7.08 -1.97 0.94 115.58 119.97 1a5j h ASN 94 Ca 0.00 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.21 1a5j h ASN 94 Cb 0.47 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.71 1a5j h ASN 94 CO 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 177.43 175.29 1a5j h ALA 95 N 1.22 -0.49 0.43 4.14 0.00 -1.97 -2.42 119.26 120.17 1a5j h ALA 95 Ca 0.74 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.60 1a5j h ALA 95 Cb 2.96 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.79 1a5j h ALA 95 CO -0.01 -0.48 -0.50 0.28 0.00 0.00 0.00 179.25 178.54 1a5j h VAL 96 N -0.32 0.00 -0.86 0.00 2.07 -0.98 0.57 116.25 116.73 1a5j h VAL 96 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1a5j h VAL 96 Cb 0.13 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.79 1a5j h VAL 96 CO 0.03 0.00 -0.47 1.17 0.02 0.00 0.00 177.57 178.32 1a5j n LYS 97 N -5.47 -0.34 0.16 1.57 4.81 0.31 0.52 118.16 119.72 1a5j n LYS 97 Ca -0.11 1.31 -0.14 0.00 -0.87 0.00 0.00 58.31 58.50 1a5j n LYS 97 Cb 0.45 -1.93 -0.07 0.00 0.02 0.00 0.00 35.03 33.50 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 -0.45 -0.89 3.14 -0.73 -1.00 -0.29 115.58 115.37 1a5j h ASN 98 Ca 0.18 0.04 0.26 0.00 1.87 0.00 0.00 56.30 58.64 1a5j h ASN 98 Cb 0.39 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 39.09 1a5j h ASN 98 CO -0.82 -0.27 0.94 -0.74 -0.37 0.00 0.00 177.43 176.17 1a5j h HIS 99 N -0.41 0.00 0.21 0.67 2.76 0.55 1.07 115.15 120.00 1a5j h HIS 99 Ca -0.01 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1a5j h HIS 99 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1a5j h HIS 99 CO -0.11 0.00 -0.10 2.35 -1.30 0.00 0.00 177.93 178.77 1a5j h TRP 100 N 0.00 -0.26 0.00 5.26 -0.00 0.15 -2.44 115.95 118.65 1a5j h TRP 100 Ca 0.42 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.30 1a5j h TRP 100 Cb 2.30 0.09 0.00 0.00 -0.00 0.00 0.00 29.16 31.55 1a5j h TRP 100 CO 0.00 -0.16 0.00 0.09 -0.00 0.00 0.00 178.44 178.37 1a5j n ASN 101 N -2.91 0.00 0.00 2.65 3.02 0.48 -1.26 115.26 117.23 1a5j n ASN 101 Ca -0.03 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1a5j n ASN 101 Cb 0.11 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.14 0.00 0.00 6.41 7.64 0.34 -4.71 113.62 122.17 1a5j n SER 102 Ca 0.11 0.15 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 -0.44 0.00 -0.38 0.44 -1.04 -0.99 -4.63 114.28 107.23 1a5j n THR 103 Ca 0.00 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.05 61.55 1a5j n THR 103 Cb 0.00 0.83 0.09 0.00 -1.82 0.00 0.00 70.33 69.42 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 -1.07 2.36 -3.38 12.58 5.41 -0.63 -4.62 119.36 130.01 1a5j n ILE 104 Ca 0.00 -1.22 -0.15 0.00 1.00 0.00 0.00 62.75 62.38 1a5j n ILE 104 Cb 0.00 -0.85 -0.09 0.00 -0.71 0.00 0.00 39.64 37.99 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 -1.86 0.34 0.04 0.38 -0.14 -0.39 -4.65 119.74 113.46 1a5j s LYS 105 Ca 0.32 -0.03 -0.33 0.00 -1.36 0.00 0.00 55.97 54.57 1a5j s LYS 105 Cb 0.26 -0.59 -0.19 0.00 -1.68 0.00 0.00 37.83 35.64 1a5j s LYS 105 CO 0.04 -0.99 1.42 0.07 -0.76 0.00 0.00 175.35 175.13 1a5j h ARG 106 N 8.24 -1.11 -4.39 1.68 -0.00 -1.90 -3.28 114.38 113.62 1a5j h ARG 106 Ca -0.13 0.08 -0.57 0.00 -0.00 0.00 0.00 59.98 59.36 1a5j h ARG 106 Cb 1.09 0.25 0.06 0.00 -0.00 0.00 0.00 29.97 31.38 1a5j h ARG 106 CO 0.31 -0.74 2.11 1.17 -0.00 0.00 0.00 179.97 182.83 1a5j n LYS 107 N -5.55 1.24 0.03 0.08 4.81 -1.26 -2.70 118.16 114.81 1a5j n LYS 107 Ca -0.15 -1.57 0.00 0.00 -0.87 0.00 0.00 58.31 55.72 1a5j n LYS 107 Cb 0.46 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.78 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 5.87 0.00 -1.18 3.15 0.31 -1.23 -4.92 118.33 120.32 1a5j n VAL 108 Ca 0.46 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.59 1a5j n VAL 108 Cb 0.35 -0.07 -0.06 0.00 -0.91 0.00 0.00 33.84 33.15 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 -2.62 6.12 0.00 4.52 -0.08 -1.10 -5.19 116.55 118.20 1a5j n ASP 109 Ca 0.00 -2.96 0.00 0.00 -1.51 0.00 0.00 54.79 50.32 1a5j n ASP 109 Cb 0.00 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.23 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73