#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 -0.55 -2.00 -0.61 -5.25 -1.26 -5.00 121.20 106.52 1a5j s ILE 2 Ca 0.00 0.18 0.21 0.00 -0.99 0.00 0.00 60.65 60.05 1a5j s ILE 2 Cb 0.00 -0.62 0.59 0.00 2.95 0.00 0.00 42.46 45.38 1a5j s ILE 2 CO 0.00 0.08 1.65 -0.81 -1.79 0.00 0.00 174.94 174.07 1a5j n PRO 3 N 5.29 0.75 -0.22 0.37 -0.04 -1.26 -4.76 135.00 135.13 1a5j n PRO 3 Ca -0.09 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.36 1a5j n PRO 3 Cb 0.50 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 1a5j n PRO 3 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1a5j n ASP 4 N -0.93 0.01 -4.73 3.54 2.03 -1.26 -5.00 116.55 110.22 1a5j n ASP 4 Ca 0.16 -1.02 -0.42 0.00 0.52 0.00 0.00 54.79 54.02 1a5j n ASP 4 Cb 0.07 -0.04 -0.03 0.00 -0.72 0.00 0.00 41.12 40.40 1a5j n ASP 4 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a5j s LEU 5 N 0.00 4.40 0.00 -2.67 1.02 -1.26 -4.86 118.68 115.31 1a5j s LEU 5 Ca 0.03 2.23 0.00 0.00 0.02 0.00 0.00 54.13 56.41 1a5j s LEU 5 Cb -0.00 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.61 1a5j s LEU 5 CO 0.02 -0.50 0.00 0.52 0.02 0.00 0.00 176.35 176.41 1a5j n VAL 6 N 3.26 0.00 1.99 -1.59 0.31 -1.26 -4.26 118.33 116.78 1a5j n VAL 6 Ca 0.08 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.46 1a5j n VAL 6 Cb 0.44 -0.41 0.31 0.00 -0.91 0.00 0.00 33.84 33.27 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 -2.14 1.00 0.00 5.55 0.00 -1.26 -4.08 118.16 117.22 1a5j n LYS 7 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a5j n LYS 7 Cb 0.20 -1.17 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 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 0.66 -1.81 3.80 2.58 0.00 -1.26 -5.17 105.19 104.00 1a5j n GLY 8 Ca 0.08 0.90 -0.30 0.00 0.00 0.00 0.00 46.02 46.70 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 1.96 0.61 1.61 0.04 -1.26 -4.89 135.00 133.07 1a5j s PRO 9 Ca 0.00 0.59 -0.18 0.00 0.04 0.00 0.00 61.00 61.45 1a5j s PRO 9 Cb 0.00 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 1a5j s PRO 9 CO 0.00 -1.70 0.83 0.91 0.04 0.00 0.00 177.00 177.09 1a5j n TRP 10 N -3.48 0.36 -3.60 0.56 7.02 -1.26 -5.00 117.44 112.04 1a5j n TRP 10 Ca 0.07 0.43 0.00 0.00 -1.02 0.00 0.00 57.50 56.98 1a5j n TRP 10 Cb 0.57 -2.08 0.00 0.00 -2.42 0.00 0.00 31.31 27.38 1a5j n TRP 10 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1a5j n THR 11 N -1.81 0.00 -0.35 -0.99 -2.24 -1.26 -4.92 114.28 102.70 1a5j n THR 11 Ca 0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.82 1a5j n THR 11 Cb 0.48 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.37 0.00 -0.78 0.00 -1.26 0.15 118.16 115.90 1a5j n LYS 12 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 58.31 59.61 1a5j n LYS 12 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 35.03 33.12 1a5j n LYS 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1a5j n GLU 13 N -5.02 0.00 -0.31 1.64 2.13 -1.26 0.19 120.64 118.01 1a5j n GLU 13 Ca 0.02 0.91 0.16 0.00 0.66 0.00 0.00 57.16 58.90 1a5j n GLU 13 Cb 0.22 -1.43 0.41 0.00 0.27 0.00 0.00 31.44 30.90 1a5j n GLU 13 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1a5j h GLU 14 N 0.00 0.58 -0.08 5.31 4.39 -1.51 0.86 114.58 124.14 1a5j h GLU 14 Ca 0.00 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1a5j h GLU 14 Cb 0.00 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1a5j h GLU 14 CO 0.00 0.39 -0.16 -0.44 -1.16 0.00 0.00 179.01 177.64 1a5j h ASP 15 N 0.60 0.12 -0.11 1.42 3.32 0.53 -1.41 116.42 120.89 1a5j h ASP 15 Ca 0.54 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.56 1a5j h ASP 15 Cb 1.06 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 1a5j h ASP 15 CO -0.30 0.29 0.06 0.06 -1.72 0.00 0.00 179.24 177.63 1a5j h GLN 16 N 0.12 0.20 -0.18 3.56 -0.00 0.96 -1.88 115.11 117.88 1a5j h GLN 16 Ca 0.02 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1a5j h GLN 16 Cb 0.35 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.48 27.79 1a5j h GLN 16 CO 0.02 0.17 -0.10 -0.22 -0.00 0.00 0.00 178.83 178.70 1a5j h LYS 17 N 0.20 0.38 -0.38 0.06 3.64 -1.10 -2.57 116.57 116.81 1a5j h LYS 17 Ca 0.05 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.34 1a5j h LYS 17 Cb 0.04 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.77 1a5j h LYS 17 CO -0.01 0.70 -0.28 0.28 -2.27 0.00 0.00 179.45 177.87 1a5j h VAL 18 N 0.06 0.29 -0.69 2.00 2.07 -1.25 0.64 116.25 119.37 1a5j h VAL 18 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1a5j h VAL 18 Cb 0.59 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1a5j h VAL 18 CO 0.03 0.00 0.46 0.40 0.02 0.00 0.00 177.57 178.48 1a5j h ILE 19 N -0.23 0.84 0.00 4.57 5.03 -1.44 0.78 117.51 127.07 1a5j h ILE 19 Ca 0.18 -0.14 -0.00 0.00 -0.12 0.00 0.00 64.86 64.77 1a5j h ILE 19 Cb 0.51 0.39 -0.00 0.00 -3.03 0.00 0.00 36.82 34.69 1a5j h ILE 19 CO -0.51 0.08 -0.02 -0.08 -0.68 0.00 0.00 178.15 176.95 1a5j h GLU 20 N 0.42 0.00 0.00 2.37 4.81 0.62 -1.99 114.58 120.80 1a5j h GLU 20 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1a5j h GLU 20 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1a5j h GLU 20 CO -0.10 0.02 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.01 1a5j h LEU 21 N 0.00 0.00 -1.60 1.64 3.38 0.23 -2.88 115.31 116.08 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 0.48 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1a5j h LEU 21 CO 0.00 0.38 0.67 0.58 0.09 0.00 0.00 178.44 180.16 1a5j h VAL 22 N -0.64 0.19 0.21 1.22 2.07 -1.25 1.14 116.25 119.19 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 0.12 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1a5j h VAL 22 CO 0.00 0.00 -0.10 0.11 0.02 0.00 0.00 177.57 177.60 1a5j h LYS 23 N 0.00 -0.28 0.00 1.57 1.79 -1.46 1.65 116.57 119.85 1a5j h LYS 23 Ca 0.23 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1a5j h LYS 23 Cb 1.56 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.27 1a5j h LYS 23 CO -0.00 -0.18 0.00 1.17 -1.08 0.00 0.00 179.45 179.35 1a5j n LYS 24 N -4.00 0.09 -0.10 3.15 4.81 -0.07 -2.82 118.16 119.23 1a5j n LYS 24 Ca -0.04 0.47 -0.14 0.00 -0.87 0.00 0.00 58.31 57.74 1a5j n LYS 24 Cb 0.11 -1.74 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 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 -1.93 0.51 -2.68 5.64 4.02 0.38 -5.07 117.16 118.02 1a5j n TYR 25 Ca 0.01 0.22 -0.03 0.00 -0.01 0.00 0.00 57.90 58.09 1a5j n TYR 25 Cb 0.10 -0.80 -0.02 0.00 -0.02 0.00 0.00 39.34 38.60 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 1.47 -3.07 0.00 2.72 0.00 0.56 -4.89 105.19 101.99 1a5j n GLY 26 Ca -0.23 0.84 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 2.05 0.00 0.00 2.61 5.66 -1.26 -5.04 114.28 118.30 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 0.30 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 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 -4.48 1.09 4.81 -1.26 -5.02 118.16 113.30 1a5j n LYS 28 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.04 1a5j n LYS 28 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1a5j n GLN 29 N -0.45 -0.89 0.10 1.64 6.02 -1.26 -4.70 117.38 117.84 1a5j n GLN 29 Ca 0.00 0.14 0.09 0.00 -0.01 0.00 0.00 57.00 57.22 1a5j n GLN 29 Cb 0.00 -4.50 0.42 0.00 1.02 0.00 0.00 30.24 27.18 1a5j n GLN 29 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1a5j n TRP 30 N -4.19 0.53 0.08 1.08 7.02 -1.26 -1.49 117.44 119.21 1a5j n TRP 30 Ca 0.02 0.24 -0.21 0.00 -1.02 0.00 0.00 57.50 56.53 1a5j n TRP 30 Cb 0.51 -0.89 -0.14 0.00 -2.42 0.00 0.00 31.31 28.37 1a5j n TRP 30 CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1a5j h THR 31 N 0.00 1.40 -0.02 -0.99 2.02 -1.96 -3.31 112.91 110.04 1a5j h THR 31 Ca 0.00 -2.50 0.03 0.00 0.77 0.00 0.00 66.41 64.72 1a5j h THR 31 Cb 0.15 2.98 -0.05 0.00 -1.74 0.00 0.00 68.15 69.49 1a5j h THR 31 CO 0.00 0.73 -0.25 0.17 0.37 0.00 0.00 175.52 176.55 1a5j h LEU 32 N -0.07 -0.73 0.00 2.58 8.10 -1.62 1.68 115.31 125.25 1a5j h LEU 32 Ca -0.17 0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.92 1a5j h LEU 32 Cb 1.79 0.30 0.00 0.00 -0.44 0.00 0.00 40.66 42.31 1a5j h LEU 32 CO 0.20 -0.31 0.00 -0.38 -4.11 0.00 0.00 178.44 173.84 1a5j n ILE 33 N -5.37 0.00 0.43 0.15 -0.00 -1.19 0.32 119.36 113.70 1a5j n ILE 33 Ca -0.04 1.29 -0.19 0.00 -0.00 0.00 0.00 62.75 63.81 1a5j n ILE 33 Cb 0.28 -1.76 -0.09 0.00 -0.00 0.00 0.00 39.64 38.06 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 -1.17 -1.07 -1.40 -1.39 0.00 -1.57 0.47 119.26 113.12 1a5j h ALA 34 Ca 0.00 -0.24 0.40 0.00 0.00 0.00 0.00 54.91 55.08 1a5j h ALA 34 Cb 0.00 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1a5j h ALA 34 CO 0.00 -1.10 1.19 -0.22 0.00 0.00 0.00 179.25 179.12 1a5j h LYS 35 N -1.08 0.00 0.00 0.00 3.11 0.31 0.58 116.57 119.49 1a5j h LYS 35 Ca -0.11 0.00 -0.11 0.00 -2.81 0.00 0.00 60.65 57.62 1a5j h LYS 35 Cb 0.83 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.04 1a5j h LYS 35 CO 0.18 0.00 -0.67 0.45 -2.81 0.00 0.00 179.45 176.60 1a5j h HIS 36 N 0.00 0.00 -3.24 1.91 3.86 0.62 -3.43 115.15 114.88 1a5j h HIS 36 Ca 0.66 0.00 -0.75 0.00 -1.16 0.00 0.00 60.37 59.12 1a5j h HIS 36 Cb 3.03 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 31.24 1a5j h HIS 36 CO 0.00 0.93 -0.24 -0.51 0.86 0.00 0.00 177.93 178.97 1a5j s LEU 37 N -8.10 6.09 0.00 2.43 1.43 0.20 -5.04 118.68 115.70 1a5j s LEU 37 Ca -0.21 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 50.95 1a5j s LEU 37 Cb 0.02 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1a5j s LEU 37 CO 0.48 -0.77 0.00 0.29 0.23 0.00 0.00 176.35 176.58 1a5j n LYS 38 N 4.98 1.62 -1.77 1.70 4.01 -1.15 -3.51 118.16 124.04 1a5j n LYS 38 Ca -0.09 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.65 1a5j n LYS 38 Cb 0.41 0.00 -0.01 0.00 -0.51 0.00 0.00 35.03 34.92 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1a5j n GLY 39 N 5.00 0.39 0.00 0.72 0.00 -1.26 -4.41 105.19 105.63 1a5j n GLY 39 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.06 0.00 -2.13 1.61 1.74 -1.26 -4.57 116.66 109.99 1a5j n ARG 40 Ca -0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 1a5j n ARG 40 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a5j n LEU 41 N 0.00 -2.49 -2.77 0.55 7.99 -1.26 -4.48 117.00 114.54 1a5j n LEU 41 Ca 0.00 0.37 -0.12 0.00 -0.01 0.00 0.00 56.01 56.25 1a5j n LEU 41 Cb 0.00 -0.99 -0.04 0.00 -0.11 0.00 0.00 43.42 42.28 1a5j n LEU 41 CO 0.00 -1.18 1.60 0.61 -1.51 0.00 0.00 177.39 176.91 1a5j n GLY 42 N 1.31 2.40 0.00 -0.72 0.00 -1.23 -4.58 105.19 102.37 1a5j n GLY 42 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 3.70 1.81 -2.87 1.61 3.00 -1.26 -3.54 118.16 120.60 1a5j n LYS 43 Ca 0.28 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.42 1a5j n LYS 43 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.23 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 0.00 -1.57 -0.04 1.64 0.00 -1.26 -4.59 117.38 111.56 1a5j n GLN 44 Ca 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 57.00 57.00 1a5j n GLN 44 Cb 0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 30.24 26.87 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1a5j n ARG 46 N -2.57 -0.04 -1.15 0.00 1.74 -1.26 -0.88 116.66 112.50 1a5j n ARG 46 Ca -0.14 0.98 -0.34 0.00 -0.77 0.00 0.00 57.85 57.58 1a5j n ARG 46 Cb 0.69 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 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 -4.62 3.16 0.00 5.56 2.13 -1.26 0.62 120.64 126.23 1a5j n GLU 47 Ca 0.26 -1.98 0.00 0.00 0.66 0.00 0.00 57.16 56.10 1a5j n GLU 47 Cb 0.88 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1a5j n GLU 47 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1a5j n ARG 48 N 3.89 0.00 -0.00 5.31 0.00 -0.06 -4.82 116.66 120.98 1a5j n ARG 48 Ca 0.67 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 58.60 1a5j n ARG 48 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.56 1a5j n ARG 48 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 1a5j n TRP 49 N 0.00 0.00 -0.07 -0.14 -0.00 -1.17 -4.27 117.44 111.79 1a5j n TRP 49 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.43 1a5j n TRP 49 Cb 0.00 -0.20 -0.10 0.00 -0.00 0.00 0.00 31.31 31.01 1a5j n TRP 49 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 177.69 179.27 1a5j n HIS 50 N -1.75 0.00 -2.89 5.87 -0.00 0.20 -4.64 115.22 112.01 1a5j n HIS 50 Ca -0.00 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.83 1a5j n HIS 50 Cb 0.35 -0.64 -0.01 0.00 -0.12 0.00 0.00 29.99 29.56 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 -2.53 5.79 0.00 0.26 5.03 0.76 -4.72 115.26 119.84 1a5j n ASN 51 Ca -0.22 -3.63 0.00 0.00 0.87 0.00 0.00 54.58 51.60 1a5j n ASN 51 Cb 0.91 -0.91 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1a5j n HIS 52 N 0.16 0.00 -1.50 3.10 8.25 -1.26 -4.28 115.22 119.69 1a5j n HIS 52 Ca 0.36 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.44 1a5j n HIS 52 Cb 0.33 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.73 0.24 0.00 2.41 -0.00 -1.26 -4.69 117.00 112.97 1a5j n LEU 53 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1a5j n LEU 53 Cb 0.00 -0.93 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 1a5j n LEU 53 CO 0.00 -0.87 0.00 -3.20 -0.00 0.00 0.00 177.39 173.32 1a5j n ASN 54 N 10.39 0.00 -3.25 1.96 2.85 -1.26 -5.11 115.26 120.84 1a5j n ASN 54 Ca 0.64 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 55.11 1a5j n ASN 54 Cb 0.08 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.10 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 0.00 1.49 -3.79 1.20 -0.04 -1.26 -5.12 135.00 127.48 1a5j n PRO 55 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 1a5j n PRO 55 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1a5j n PRO 55 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1a5j s GLU 56 N 0.00 1.14 0.00 0.54 2.12 -1.26 -5.01 118.70 116.23 1a5j s GLU 56 Ca 0.00 -0.92 0.18 0.00 0.36 0.00 0.00 54.97 54.59 1a5j s GLU 56 Cb 0.00 0.44 1.01 0.00 0.26 0.00 0.00 34.13 35.84 1a5j s GLU 56 CO 0.00 -0.44 1.66 0.28 -0.54 0.00 0.00 175.26 176.22 1a5j n VAL 57 N -0.23 0.03 -0.21 3.70 0.31 -1.26 -4.83 118.33 115.85 1a5j n VAL 57 Ca -0.12 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a5j n VAL 57 Cb 0.63 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1a5j n VAL 57 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1a5j n LYS 58 N -0.62 -0.96 -2.73 5.55 4.81 -1.26 -4.20 118.16 118.76 1a5j n LYS 58 Ca 0.14 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.49 1a5j n LYS 58 Cb 0.10 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.19 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 -1.37 -3.12 0.00 1.64 0.00 -1.26 -4.83 118.16 109.22 1a5j n LYS 59 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 58.31 58.69 1a5j n LYS 59 Cb 0.00 -4.01 0.00 0.00 0.00 0.00 0.00 35.03 31.02 1a5j n LYS 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1a5j n SER 60 N -1.58 0.00 0.00 3.14 7.64 -1.26 -5.06 113.62 116.50 1a5j n SER 60 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1a5j n SER 60 Cb 0.56 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1a5j n SER 61 N -1.37 0.00 -4.24 6.43 7.64 -1.26 -4.88 113.62 115.93 1a5j n SER 61 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1a5j n SER 61 Cb 0.00 0.00 0.25 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.98 0.00 1.43 0.52 -1.26 -4.95 118.94 115.66 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 -3.11 0.00 0.00 -1.15 0.00 0.00 33.47 29.21 1a5j s TRP 62 CO 0.00 -4.00 0.00 0.25 0.02 0.00 0.00 176.95 173.22 1a5j n THR 63 N -4.97 0.00 0.00 2.01 -2.24 -1.26 -4.04 114.28 103.78 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 -0.33 -0.78 -0.58 -1.26 -2.42 120.64 115.27 1a5j n GLU 64 Ca 0.00 0.01 0.25 0.00 -0.42 0.00 0.00 57.16 57.00 1a5j n GLU 64 Cb 0.00 -0.56 0.48 0.00 -0.57 0.00 0.00 31.44 30.79 1a5j n GLU 64 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1a5j h GLU 65 N 0.00 0.21 -0.74 3.49 4.11 -1.99 1.71 114.58 121.37 1a5j h GLU 65 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1a5j h GLU 65 Cb 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1a5j h GLU 65 CO 0.00 0.14 0.46 0.93 0.07 0.00 0.00 179.01 180.61 1a5j h GLU 66 N 0.22 1.00 0.08 1.06 4.39 -1.98 0.19 114.58 119.53 1a5j h GLU 66 Ca 0.75 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.36 1a5j h GLU 66 Cb 1.76 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1a5j h GLU 66 CO -0.67 0.69 -0.04 0.22 -1.16 0.00 0.00 179.01 178.05 1a5j h ASP 67 N 1.02 -0.09 0.95 1.42 3.58 0.29 -2.19 116.42 121.40 1a5j h ASP 67 Ca 0.27 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 1a5j h ASP 67 Cb -0.06 0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.02 1a5j h ASP 67 CO -0.05 0.04 -0.46 0.03 -2.88 0.00 0.00 179.24 175.92 1a5j h ARG 68 N -0.23 -1.23 -0.84 0.28 2.47 -0.89 -2.13 114.38 111.82 1a5j h ARG 68 Ca -0.01 0.08 0.16 0.00 -1.26 0.00 0.00 59.98 58.96 1a5j h ARG 68 Cb 0.19 0.28 -0.16 0.00 -1.65 0.00 0.00 29.97 28.63 1a5j h ARG 68 CO 0.02 -0.82 -0.22 -0.89 0.56 0.00 0.00 179.97 178.62 1a5j n ILE 69 N -5.52 -0.36 0.15 2.04 5.41 0.61 0.57 119.36 122.26 1a5j n ILE 69 Ca -0.16 1.92 -0.09 0.00 1.00 0.00 0.00 62.75 65.43 1a5j n ILE 69 Cb 0.50 -2.65 -0.05 0.00 -0.71 0.00 0.00 39.64 36.73 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 -1.20 1.39 1.08 -1.17 0.28 117.51 117.89 1a5j h ILE 70 Ca 0.39 0.00 0.34 0.00 -0.39 0.00 0.00 64.86 65.21 1a5j h ILE 70 Cb 0.60 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.29 1a5j h ILE 70 CO -0.86 0.00 0.84 0.15 -0.69 0.00 0.00 178.15 177.59 1a5j h PHE 71 N -0.51 0.15 0.34 1.37 3.04 0.35 0.33 116.94 122.02 1a5j h PHE 71 Ca -0.03 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1a5j h PHE 71 Cb 0.44 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1a5j h PHE 71 CO -0.15 0.00 -0.16 0.93 -2.02 0.00 0.00 178.31 176.90 1a5j h GLU 72 N 0.08 -0.44 -0.49 1.11 5.08 0.13 -1.28 114.58 118.75 1a5j h GLU 72 Ca 0.60 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 59.13 1a5j h GLU 72 Cb 2.20 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.53 1a5j h GLU 72 CO -0.08 -0.30 0.45 0.00 -1.00 0.00 0.00 179.01 178.08 1a5j h ALA 73 N -1.45 2.29 0.00 3.43 0.00 0.70 1.50 119.26 125.73 1a5j h ALA 73 Ca -0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1a5j h ALA 73 Cb 0.35 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1a5j h ALA 73 CO 0.08 -0.70 -0.29 1.25 0.00 0.00 0.00 179.25 179.59 1a5j h HIS 74 N 0.00 0.00 -0.62 0.00 6.17 -0.33 -1.55 115.15 118.82 1a5j h HIS 74 Ca 0.23 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1a5j h HIS 74 Cb 1.12 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.05 1a5j h HIS 74 CO 0.00 0.29 0.00 0.36 0.71 0.00 0.00 177.93 179.29 1a5j n LYS 75 N -3.24 2.89 -0.01 5.26 2.85 0.50 -3.13 118.16 123.28 1a5j n LYS 75 Ca 0.02 -2.42 -0.01 0.00 -1.05 0.00 0.00 58.31 54.85 1a5j n LYS 75 Cb 0.58 -1.64 -0.01 0.00 -0.65 0.00 0.00 35.03 33.31 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 1.23 0.09 0.00 0.58 0.31 -0.55 -4.97 118.33 115.02 1a5j n VAL 76 Ca 0.22 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.50 1a5j n VAL 76 Cb 0.66 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.22 0.00 0.00 7.52 4.32 -0.61 -5.09 117.00 120.91 1a5j n LEU 77 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 1a5j n LEU 77 Cb 0.54 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1a5j n LEU 77 CO 0.02 -0.20 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 1a5j n GLY 78 N 3.62 -0.47 1.27 -0.72 0.00 -1.19 -4.88 105.19 102.82 1a5j n GLY 78 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 3.36 -2.85 1.61 0.23 -1.26 -4.49 115.26 111.86 1a5j n ASN 79 Ca 0.00 -2.53 -0.16 0.00 -0.53 0.00 0.00 54.58 51.36 1a5j n ASN 79 Cb 0.00 -0.61 -0.04 0.00 -2.08 0.00 0.00 39.78 37.05 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 0.19 1.73 -0.25 -3.83 3.00 -1.26 -4.50 116.66 111.74 1a5j n ARG 80 Ca 0.17 -1.14 0.23 0.00 -0.01 0.00 0.00 57.85 57.10 1a5j n ARG 80 Cb 0.79 -2.22 0.57 0.00 0.00 0.00 0.00 32.46 31.60 1a5j n ARG 80 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 1a5j h TRP 81 N 5.67 0.43 -0.09 -1.55 4.06 -1.88 3.44 115.95 126.02 1a5j h TRP 81 Ca 0.36 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.30 1a5j h TRP 81 Cb 0.39 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 1a5j h TRP 81 CO 1.78 0.09 -0.03 0.00 -3.56 0.00 0.00 178.44 176.72 1a5j h ALA 82 N 1.59 1.77 -0.00 1.49 0.00 -1.87 0.16 119.26 122.39 1a5j h ALA 82 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1a5j h ALA 82 Cb 1.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1a5j h ALA 82 CO -0.16 0.18 -0.65 0.39 0.00 0.00 0.00 179.25 179.01 1a5j n GLU 83 N -4.42 2.26 0.08 0.00 -0.58 0.55 -3.64 120.64 114.89 1a5j n GLU 83 Ca -0.01 -0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.45 1a5j n GLU 83 Cb 0.16 -1.18 -0.15 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 0.11 1.25 0.06 -3.67 5.03 0.64 -3.08 117.51 117.84 1a5j h ILE 84 Ca 0.00 -2.56 -0.24 0.00 -0.12 0.00 0.00 64.86 61.94 1a5j h ILE 84 Cb 0.35 2.99 -0.01 0.00 -3.03 0.00 0.00 36.82 37.11 1a5j h ILE 84 CO 0.00 0.77 -1.09 0.00 -0.68 0.00 0.00 178.15 177.15 1a5j h ALA 85 N 0.08 0.26 0.00 1.87 0.00 -0.93 -2.98 119.26 117.55 1a5j h ALA 85 Ca -0.25 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 53.79 1a5j h ALA 85 Cb 1.91 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1a5j h ALA 85 CO 0.18 1.07 0.00 1.63 0.00 0.00 0.00 179.25 182.13 1a5j n LYS 86 N -3.48 0.16 0.00 0.00 5.02 -1.24 -1.69 118.16 116.93 1a5j n LYS 86 Ca -0.04 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.51 1a5j n LYS 86 Cb 0.96 -1.50 0.47 0.00 -0.02 0.00 0.00 35.03 34.94 1a5j n LYS 86 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1a5j n LEU 87 N -1.35 0.00 -3.88 -0.35 0.00 -1.13 -4.75 117.00 105.54 1a5j n LEU 87 Ca 0.06 0.49 -0.11 0.00 0.00 0.00 0.00 56.01 56.46 1a5j n LEU 87 Cb 0.14 -0.49 -0.10 0.00 0.00 0.00 0.00 43.42 42.97 1a5j n LEU 87 CO 0.13 -0.12 -0.18 -0.76 0.00 0.00 0.00 177.39 176.46 1a5j s LEU 88 N -2.99 1.60 -1.13 -1.96 1.43 -0.68 -5.08 118.68 109.88 1a5j s LEU 88 Ca 0.11 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.71 1a5j s LEU 88 Cb 0.14 0.66 -0.00 0.00 0.03 0.00 0.00 46.19 47.02 1a5j s LEU 88 CO 0.40 -0.40 1.78 -2.16 0.23 0.00 0.00 176.35 176.19 1a5j s PRO 89 N -1.65 3.19 0.00 1.29 0.04 -1.26 -4.73 135.00 131.88 1a5j s PRO 89 Ca -0.13 -1.24 0.00 0.00 0.04 0.00 0.00 61.00 59.67 1a5j s PRO 89 Cb -0.06 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1a5j s PRO 89 CO 0.00 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.48 1a5j n GLY 90 N 6.12 4.53 0.43 0.56 0.00 -1.26 -5.17 105.19 110.40 1a5j n GLY 90 Ca 0.43 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.91 -1.23 -0.79 1.61 3.00 -1.26 -4.80 116.66 111.28 1a5j n ARG 91 Ca 0.00 0.91 0.00 0.00 -0.01 0.00 0.00 57.85 58.75 1a5j n ARG 91 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 32.46 31.44 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 -0.82 0.00 -0.04 0.55 -2.24 -1.26 -4.55 114.28 105.92 1a5j n THR 92 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1a5j n THR 92 Cb 0.00 -1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 67.10 1a5j n THR 92 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1a5j h ASP 93 N 0.00 0.10 0.06 3.42 2.03 -1.91 -2.84 116.42 117.29 1a5j h ASP 93 Ca 0.00 -0.74 0.00 0.00 -0.73 0.00 0.00 57.03 55.56 1a5j h ASP 93 Cb 0.00 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.47 1a5j h ASP 93 CO 0.00 0.82 0.00 0.59 -1.03 0.00 0.00 179.24 179.62 1a5j n ASN 94 N -4.64 0.58 0.01 4.15 3.02 -1.26 0.21 115.26 117.32 1a5j n ASN 94 Ca -0.09 0.76 -0.01 0.00 -0.03 0.00 0.00 54.58 55.21 1a5j n ASN 94 Cb 0.41 -0.84 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 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 2.02 -0.13 0.02 5.41 0.00 -1.90 -3.04 119.26 121.64 1a5j h ALA 95 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a5j h ALA 95 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1a5j h ALA 95 CO 0.00 -0.13 -0.01 0.28 0.00 0.00 0.00 179.25 179.40 1a5j h VAL 96 N -0.42 1.00 -0.80 0.00 2.07 -1.25 0.84 116.25 117.70 1a5j h VAL 96 Ca -0.01 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1a5j h VAL 96 Cb 0.05 1.04 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 1a5j h VAL 96 CO 0.01 0.02 -0.51 0.50 0.02 0.00 0.00 177.57 177.61 1a5j h LYS 97 N -0.05 -0.05 0.22 1.57 3.64 -0.42 0.53 116.57 122.01 1a5j h LYS 97 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1a5j h LYS 97 Cb 0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1a5j h LYS 97 CO 0.00 -0.03 -0.18 -0.97 -2.27 0.00 0.00 179.45 176.00 1a5j h ASN 98 N -0.05 -0.47 -1.20 4.20 -0.73 -1.40 -0.41 115.58 115.53 1a5j h ASN 98 Ca 0.13 0.04 0.35 0.00 1.87 0.00 0.00 56.30 58.68 1a5j h ASN 98 Cb 0.38 0.15 -0.05 0.00 0.27 0.00 0.00 38.32 39.08 1a5j h ASN 98 CO -0.78 -0.28 1.03 -0.74 -0.37 0.00 0.00 177.43 176.30 1a5j h HIS 99 N -0.42 0.00 0.05 0.67 2.76 0.16 1.27 115.15 119.64 1a5j h HIS 99 Ca -0.01 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1a5j h HIS 99 Cb 0.37 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1a5j h HIS 99 CO -0.12 0.00 -0.02 2.35 -1.30 0.00 0.00 177.93 178.83 1a5j h TRP 100 N 0.00 -0.06 0.00 5.26 -0.00 0.17 -2.35 115.95 118.97 1a5j h TRP 100 Ca 0.57 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.46 1a5j h TRP 100 Cb 2.63 0.02 0.00 0.00 -0.00 0.00 0.00 29.16 31.81 1a5j h TRP 100 CO 0.00 -0.04 0.00 0.09 -0.00 0.00 0.00 178.44 178.49 1a5j n ASN 101 N -2.21 0.00 0.00 2.65 3.02 0.27 -1.24 115.26 117.75 1a5j n ASN 101 Ca -0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1a5j n ASN 101 Cb 0.03 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.20 0.00 0.00 6.41 7.64 0.41 -4.69 113.62 122.19 1a5j n SER 102 Ca 0.08 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.13 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 -0.62 0.44 -1.04 -0.93 -4.64 114.28 107.05 1a5j n THR 103 Ca 0.00 -0.30 -0.17 0.00 -2.04 0.00 0.00 64.05 61.55 1a5j n THR 103 Cb 0.00 0.80 0.08 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 -1.13 2.60 -3.10 12.58 5.41 -0.43 -4.47 119.36 130.81 1a5j n ILE 104 Ca 0.00 -1.49 -0.14 0.00 1.00 0.00 0.00 62.75 62.12 1a5j n ILE 104 Cb 0.00 -0.97 -0.04 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.07 0.94 0.17 0.38 -0.14 -0.37 -4.62 119.74 114.03 1a5j s LYS 105 Ca 0.35 -1.39 -0.11 0.00 -1.36 0.00 0.00 55.97 53.46 1a5j s LYS 105 Cb 0.29 -0.65 0.08 0.00 -1.68 0.00 0.00 37.83 35.87 1a5j s LYS 105 CO 0.03 -1.33 1.70 0.07 -0.76 0.00 0.00 175.35 175.07 1a5j h ARG 106 N 5.61 0.95 -4.10 1.68 -0.00 -1.89 -3.27 114.38 113.36 1a5j h ARG 106 Ca 0.14 -0.21 -0.72 0.00 -0.00 0.00 0.00 59.98 59.18 1a5j h ARG 106 Cb 1.03 -0.14 -0.09 0.00 -0.00 0.00 0.00 29.97 30.78 1a5j h ARG 106 CO 0.17 0.85 2.58 1.17 -0.00 0.00 0.00 179.97 184.74 1a5j n LYS 107 N -4.38 3.17 0.00 0.08 4.81 -1.26 -3.66 118.16 116.91 1a5j n LYS 107 Ca 0.04 -3.05 0.00 0.00 -0.87 0.00 0.00 58.31 54.43 1a5j n LYS 107 Cb 0.21 -3.18 0.00 0.00 0.02 0.00 0.00 35.03 32.08 1a5j n LYS 107 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1a5j n VAL 108 N 4.65 0.00 -3.83 3.15 0.31 -1.23 -5.07 118.33 116.31 1a5j n VAL 108 Ca 0.47 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.49 1a5j n VAL 108 Cb 0.39 -0.08 0.01 0.00 -0.91 0.00 0.00 33.84 33.25 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 -2.23 -4.14 0.00 4.52 2.03 -1.24 -5.21 116.55 110.28 1a5j n ASP 109 Ca 0.00 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.30 1a5j n ASP 109 Cb 0.00 -1.45 0.00 0.00 -0.72 0.00 0.00 41.12 38.95 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35