#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 3.02 -1.65 -0.61 -4.36 -1.26 -4.98 121.20 111.36 1a5j s ILE 2 Ca 0.00 -0.68 0.23 0.00 -0.26 0.00 0.00 60.65 59.94 1a5j s ILE 2 Cb 0.00 -2.26 0.51 0.00 1.25 0.00 0.00 42.46 41.96 1a5j s ILE 2 CO 0.00 0.53 1.76 -0.81 0.24 0.00 0.00 174.94 176.66 1a5j n PRO 3 N 3.40 0.49 -4.06 0.37 -0.04 -1.26 -4.70 135.00 129.20 1a5j n PRO 3 Ca -0.18 0.04 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 1a5j n PRO 3 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.35 0.55 0.50 3.54 2.15 -1.26 -5.10 116.67 114.70 1a5j s ASP 4 Ca 0.27 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 52.95 1a5j s ASP 4 Cb 0.16 0.00 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 1a5j s ASP 4 CO 0.32 -0.09 0.00 0.18 -0.17 0.00 0.00 175.17 175.41 1a5j n LEU 5 N 2.26 0.00 -3.72 -1.34 4.32 -1.26 -4.98 117.00 112.28 1a5j n LEU 5 Ca -0.18 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.79 1a5j n LEU 5 Cb 0.57 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.36 1a5j n LEU 5 CO 0.23 -0.67 0.79 -0.69 -1.22 0.00 0.00 177.39 175.82 1a5j s VAL 6 N 0.00 0.00 0.00 4.08 1.01 -1.26 -4.82 120.40 119.41 1a5j s VAL 6 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1a5j s VAL 6 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1a5j s VAL 6 CO 0.00 0.00 1.16 0.29 0.00 0.00 0.00 175.10 176.55 1a5j n LYS 7 N -0.46 0.57 0.00 2.72 4.01 -1.26 -3.46 118.16 120.28 1a5j n LYS 7 Ca -0.07 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.63 1a5j n LYS 7 Cb 0.61 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.77 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 1.98 -0.21 0.00 0.72 0.00 -1.26 -5.18 105.19 101.24 1a5j n GLY 8 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1a5j n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a5j n PRO 9 N 0.00 0.00 -0.41 1.61 -0.04 -1.22 -5.02 135.00 129.92 1a5j n PRO 9 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 1a5j n PRO 9 Cb 0.00 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 33.70 1a5j n PRO 9 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1a5j n TRP 10 N -1.58 -2.54 -3.08 0.54 7.02 -1.26 -5.05 117.44 111.50 1a5j n TRP 10 Ca 0.00 -0.36 0.00 0.00 -1.02 0.00 0.00 57.50 56.12 1a5j n TRP 10 Cb 0.00 -1.47 0.00 0.00 -2.42 0.00 0.00 31.31 27.42 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 -5.18 0.00 -0.37 -0.99 -2.24 -1.26 -4.99 114.28 99.25 1a5j n THR 11 Ca 0.07 0.00 0.37 0.00 -2.27 0.00 0.00 64.05 62.22 1a5j n THR 11 Cb 0.54 0.00 0.76 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.96 -1.09 116.57 116.38 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 0.00 0.00 -1.91 -2.27 0.00 0.00 179.45 175.27 1a5j n GLU 13 N -4.15 0.00 -0.33 1.90 2.13 -1.26 0.20 120.64 119.12 1a5j n GLU 13 Ca 0.28 0.23 0.20 0.00 0.66 0.00 0.00 57.16 58.53 1a5j n GLU 13 Cb 1.34 -1.09 0.45 0.00 0.27 0.00 0.00 31.44 32.41 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 0.48 -0.15 5.31 4.39 -1.82 1.24 114.58 124.03 1a5j h GLU 14 Ca 0.00 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.61 1a5j h GLU 14 Cb 0.00 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1a5j h GLU 14 CO 0.00 0.32 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.56 1a5j h ASP 15 N 0.50 0.23 0.16 1.42 5.19 -0.98 -1.43 116.42 121.51 1a5j h ASP 15 Ca 0.61 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.95 1a5j h ASP 15 Cb 1.34 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 1a5j h ASP 15 CO -0.37 0.43 -0.09 0.06 -3.12 0.00 0.00 179.24 176.15 1a5j h GLN 16 N 0.23 0.00 0.24 3.56 -0.00 1.20 -2.58 115.11 117.77 1a5j h GLN 16 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.68 1a5j h GLN 16 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1a5j h GLN 16 CO 0.03 0.09 -0.12 -0.22 -0.00 0.00 0.00 178.83 178.61 1a5j h LYS 17 N 0.00 -0.32 -0.91 0.06 3.64 -0.96 -2.03 116.57 116.05 1a5j h LYS 17 Ca -0.00 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.64 1a5j h LYS 17 Cb 0.19 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 31.95 1a5j h LYS 17 CO 0.01 0.05 0.38 0.28 -2.27 0.00 0.00 179.45 177.90 1a5j h VAL 18 N -0.80 0.40 -0.78 2.00 2.07 -1.39 1.16 116.25 118.90 1a5j h VAL 18 Ca -0.03 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1a5j h VAL 18 Cb 0.51 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1a5j h VAL 18 CO 0.06 0.06 0.32 0.40 0.02 0.00 0.00 177.57 178.43 1a5j h ILE 19 N 0.34 1.26 0.00 4.57 5.03 -1.40 0.15 117.51 127.46 1a5j h ILE 19 Ca 0.59 -0.80 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1a5j h ILE 19 Cb 1.18 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 35.29 1a5j h ILE 19 CO -0.57 0.33 0.00 -0.08 -0.68 0.00 0.00 178.15 177.14 1a5j h GLU 20 N 1.13 0.00 0.00 2.37 4.81 0.18 -1.79 114.58 121.28 1a5j h GLU 20 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1a5j h GLU 20 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1a5j h GLU 20 CO -0.02 0.00 -0.20 -0.07 -0.73 0.00 0.00 179.01 177.99 1a5j h LEU 21 N 0.00 0.00 -2.42 1.64 3.38 0.14 -2.89 115.31 115.16 1a5j h LEU 21 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a5j h LEU 21 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1a5j h LEU 21 CO 0.00 0.54 0.19 0.58 0.09 0.00 0.00 178.44 179.84 1a5j h VAL 22 N -0.88 0.04 0.25 1.22 2.07 -0.81 0.94 116.25 119.09 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 0.20 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1a5j h VAL 22 CO 0.00 0.00 -0.12 0.11 0.02 0.00 0.00 177.57 177.58 1a5j h LYS 23 N 0.00 -0.33 0.00 1.57 1.79 -1.43 0.94 116.57 119.12 1a5j h LYS 23 Ca 0.01 0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1a5j h LYS 23 Cb 0.39 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1a5j h LYS 23 CO -0.00 -0.19 -0.04 -0.22 -1.08 0.00 0.00 179.45 177.93 1a5j h LYS 24 N -1.08 0.00 0.00 3.15 3.11 -1.07 -3.21 116.57 117.47 1a5j h LYS 24 Ca -0.03 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1a5j h LYS 24 Cb 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1a5j h LYS 24 CO 0.06 0.04 -0.27 1.88 -2.81 0.00 0.00 179.45 178.35 1a5j h TYR 25 N 0.00 0.00 -3.83 1.91 -1.99 0.85 -3.49 116.97 110.42 1a5j h TYR 25 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1a5j h TYR 25 Cb 0.39 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.12 1a5j h TYR 25 CO 0.00 0.00 -0.39 0.41 -0.00 0.00 0.00 178.16 178.18 1a5j n GLY 26 N 1.70 0.00 0.53 3.88 0.00 0.33 -4.80 105.19 106.83 1a5j n GLY 26 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 1.21 0.00 0.00 2.61 5.66 -1.26 -5.03 114.28 117.46 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 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 -2.88 0.00 -3.97 1.09 3.00 -1.26 -5.12 118.16 109.02 1a5j n LYS 28 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 58.31 58.00 1a5j n LYS 28 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 1a5j n LYS 28 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a5j s GLN 29 N 0.00 1.40 0.00 1.64 1.11 -1.26 -4.86 119.66 117.69 1a5j s GLN 29 Ca 0.00 -1.82 0.04 0.00 0.01 0.00 0.00 55.36 53.60 1a5j s GLN 29 Cb 0.00 -3.02 -0.02 0.00 -1.01 0.00 0.00 33.01 28.96 1a5j s GLN 29 CO 0.00 -0.96 0.32 0.91 0.01 0.00 0.00 175.29 175.56 1a5j n TRP 30 N 4.25 0.00 0.14 0.91 7.02 -1.26 -4.58 117.44 123.92 1a5j n TRP 30 Ca 0.03 0.00 -0.24 0.00 -1.02 0.00 0.00 57.50 56.27 1a5j n TRP 30 Cb 0.41 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.15 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 0.28 1.28 -0.01 -0.99 1.03 -1.99 -3.33 112.91 109.18 1a5j h THR 31 Ca 0.00 -2.65 0.03 0.00 -0.01 0.00 0.00 66.41 63.78 1a5j h THR 31 Cb 0.13 2.97 -0.04 0.00 -1.07 0.00 0.00 68.15 70.13 1a5j h THR 31 CO 0.00 0.80 -0.22 0.17 -0.01 0.00 0.00 175.52 176.26 1a5j h LEU 32 N 0.18 -0.65 0.00 0.00 8.10 -1.96 0.71 115.31 121.70 1a5j h LEU 32 Ca -0.24 0.09 0.00 0.00 0.11 0.00 0.00 57.88 57.84 1a5j h LEU 32 Cb 2.12 0.27 0.00 0.00 -0.44 0.00 0.00 40.66 42.61 1a5j h LEU 32 CO 0.27 -0.28 0.00 -0.38 -4.11 0.00 0.00 178.44 173.94 1a5j n ILE 33 N -5.35 0.00 0.38 0.15 -0.00 -1.25 0.40 119.36 113.68 1a5j n ILE 33 Ca -0.05 1.36 -0.19 0.00 -0.00 0.00 0.00 62.75 63.87 1a5j n ILE 33 Cb 0.26 -1.83 -0.10 0.00 -0.00 0.00 0.00 39.64 37.97 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 -1.00 -1.23 -1.39 -1.39 0.00 -1.62 1.54 119.26 114.17 1a5j h ALA 34 Ca 0.00 -0.23 0.40 0.00 0.00 0.00 0.00 54.91 55.08 1a5j h ALA 34 Cb 0.00 0.67 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1a5j h ALA 34 CO 0.00 -1.22 1.06 -0.22 0.00 0.00 0.00 179.25 178.87 1a5j h LYS 35 N -1.13 0.00 0.00 0.00 3.64 0.13 -0.63 116.57 118.58 1a5j h LYS 35 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1a5j h LYS 35 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1a5j h LYS 35 CO 0.03 0.00 -0.18 0.45 -2.27 0.00 0.00 179.45 177.48 1a5j h HIS 36 N 0.00 0.00 -3.32 1.91 3.86 0.94 -3.42 115.15 115.11 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 2.77 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 31.01 1a5j h HIS 36 CO 0.00 0.00 0.24 -0.51 0.86 0.00 0.00 177.93 178.52 1a5j s LEU 37 N -7.28 6.16 -0.27 2.43 1.43 0.51 -4.87 118.68 116.79 1a5j s LEU 37 Ca -0.05 -2.31 0.00 0.00 -1.03 0.00 0.00 54.13 50.74 1a5j s LEU 37 Cb 0.01 -2.26 0.24 0.00 0.03 0.00 0.00 46.19 44.21 1a5j s LEU 37 CO 0.08 -0.78 1.79 2.29 0.23 0.00 0.00 176.35 179.96 1a5j n LYS 38 N 4.96 1.70 -0.00 1.70 -0.00 -1.04 -3.59 118.16 121.89 1a5j n LYS 38 Ca 0.11 -1.45 0.03 0.00 -0.00 0.00 0.00 58.31 56.99 1a5j n LYS 38 Cb 0.46 -1.57 -0.04 0.00 -0.00 0.00 0.00 35.03 33.88 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 0.15 0.06 2.42 2.58 0.00 -1.26 -4.72 105.19 104.42 1a5j n GLY 39 Ca 0.28 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1a5j n GLY 39 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1a5j n ARG 40 N -1.44 1.28 0.00 1.61 0.63 -1.24 -4.97 116.66 112.54 1a5j n ARG 40 Ca -0.00 -3.47 0.00 0.00 -0.92 0.00 0.00 57.85 53.46 1a5j n ARG 40 Cb 0.13 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.45 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 0.09 0.00 0.00 6.15 7.99 -1.26 -4.23 117.00 125.74 1a5j n LEU 41 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.20 1a5j n LEU 41 Cb 0.70 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.01 1a5j n LEU 41 CO 0.25 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.74 1a5j n GLY 42 N 0.00 0.00 0.65 -0.72 0.00 -1.26 -4.32 105.19 99.54 1a5j n GLY 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.23 -0.94 1.61 3.00 -1.26 -4.69 118.16 116.11 1a5j n LYS 43 Ca 0.00 0.10 -0.20 0.00 -0.00 0.00 0.00 58.31 58.20 1a5j n LYS 43 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 35.03 34.05 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 -3.68 2.30 0.00 1.64 7.27 -1.26 -2.85 117.38 120.80 1a5j n GLN 44 Ca -0.15 -1.33 0.00 0.00 0.07 0.00 0.00 57.00 55.59 1a5j n GLN 44 Cb 0.46 -2.26 0.00 0.00 2.41 0.00 0.00 30.24 30.85 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 -1.77 0.71 -0.26 0.00 1.74 -1.13 -3.37 116.66 112.57 1a5j n ARG 46 Ca 0.00 -1.11 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 1a5j n ARG 46 Cb 0.00 -2.43 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 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 6.19 0.00 0.00 5.56 2.13 -1.26 -4.58 120.64 128.68 1a5j n GLU 47 Ca 0.33 -0.56 0.00 0.00 0.66 0.00 0.00 57.16 57.59 1a5j n GLU 47 Cb 0.24 -0.37 0.00 0.00 0.27 0.00 0.00 31.44 31.58 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 0.00 0.00 0.05 5.31 0.00 -1.22 -4.52 116.66 116.28 1a5j n ARG 48 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1a5j n ARG 48 Cb 0.58 -0.18 0.04 0.00 0.00 0.00 0.00 32.46 32.90 1a5j n ARG 48 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1a5j n TRP 49 N -2.22 0.45 -0.08 -0.14 8.01 -1.26 -4.00 117.44 118.19 1a5j n TRP 49 Ca 0.00 0.13 -0.15 0.00 -1.31 0.00 0.00 57.50 56.17 1a5j n TRP 49 Cb 0.02 -0.59 -0.14 0.00 -2.01 0.00 0.00 31.31 28.60 1a5j n TRP 49 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.69 177.40 1a5j n HIS 50 N -2.15 0.34 -3.39 -5.99 8.25 -1.26 -4.59 115.22 106.42 1a5j n HIS 50 Ca 0.01 0.09 -0.36 0.00 -0.26 0.00 0.00 57.72 57.20 1a5j n HIS 50 Cb 0.47 -1.05 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 1a5j n HIS 50 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a5j n ASN 51 N -3.10 4.83 0.00 0.41 5.03 -1.26 -4.66 115.26 116.51 1a5j n ASN 51 Ca -0.36 -3.28 0.00 0.00 0.87 0.00 0.00 54.58 51.81 1a5j n ASN 51 Cb 1.06 -1.04 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 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 1.69 -1.53 -1.39 3.10 8.25 -1.26 -4.49 115.22 119.60 1a5j n HIS 52 Ca 0.25 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 57.22 1a5j n HIS 52 Cb 0.37 0.51 -0.13 0.00 1.12 0.00 0.00 29.99 31.85 1a5j n HIS 52 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1a5j n LEU 53 N -2.50 0.54 -3.87 2.41 4.32 -1.26 -4.86 117.00 111.78 1a5j n LEU 53 Ca 0.00 0.40 -0.30 0.00 -0.02 0.00 0.00 56.01 56.09 1a5j n LEU 53 Cb 0.00 -0.92 -0.16 0.00 -1.62 0.00 0.00 43.42 40.72 1a5j n LEU 53 CO 0.00 -0.75 -0.39 0.21 -1.22 0.00 0.00 177.39 175.24 1a5j s ASN 54 N 7.69 3.71 0.00 -1.43 3.84 -1.26 -5.06 114.94 122.43 1a5j s ASN 54 Ca 1.28 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 53.14 1a5j s ASN 54 Cb -1.35 -1.02 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 1a5j s ASN 54 CO 0.56 -0.29 0.00 -0.81 -2.79 0.00 0.00 177.10 173.78 1a5j n PRO 55 N 4.76 0.00 -1.14 0.43 -0.04 -1.26 -5.01 135.00 132.74 1a5j n PRO 55 Ca -0.09 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.49 1a5j n PRO 55 Cb 0.44 -0.12 -0.05 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.14 -0.01 0.54 2.13 -1.26 -4.45 120.64 115.45 1a5j n GLU 56 Ca 0.00 1.63 -0.12 0.00 0.66 0.00 0.00 57.16 59.33 1a5j n GLU 56 Cb 0.00 -2.71 -0.07 0.00 0.27 0.00 0.00 31.44 28.93 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 -1.28 1.19 0.00 6.31 2.07 -1.89 -3.45 116.25 119.20 1a5j h VAL 57 Ca -0.07 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1a5j h VAL 57 Cb 1.19 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1a5j h VAL 57 CO 0.04 0.17 0.00 2.29 0.02 0.00 0.00 177.57 180.08 1a5j n LYS 58 N -4.91 0.00 0.00 1.57 2.85 -1.26 -5.05 118.16 111.36 1a5j n LYS 58 Ca -0.06 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1a5j n LYS 58 Cb 0.15 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.53 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1a5j n LYS 59 N 0.00 0.00 0.00 -1.58 4.01 -1.26 -3.57 118.16 115.76 1a5j n LYS 59 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1a5j n LYS 59 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1a5j n LYS 59 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1a5j n SER 60 N 2.07 0.00 0.00 4.39 7.64 -1.26 -5.05 113.62 121.40 1a5j n SER 60 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1a5j n SER 60 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -3.89 6.43 7.64 -1.23 -4.49 113.62 118.07 1a5j n SER 61 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1a5j n SER 61 Cb 0.00 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.47 1a5j n SER 61 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1a5j s TRP 62 N 0.00 0.30 0.00 1.43 0.52 -1.26 -5.00 118.94 114.92 1a5j s TRP 62 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 56.10 56.88 1a5j s TRP 62 Cb 0.00 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.26 1a5j s TRP 62 CO 0.00 -4.40 0.00 0.25 0.02 0.00 0.00 176.95 172.82 1a5j n THR 63 N -5.23 0.00 0.00 2.01 -2.24 -1.26 -4.57 114.28 102.99 1a5j n THR 63 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 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 -0.32 -0.78 -0.58 -1.26 -2.05 120.64 115.65 1a5j n GLU 64 Ca 0.00 0.01 0.22 0.00 -0.42 0.00 0.00 57.16 56.97 1a5j n GLU 64 Cb 0.00 -0.65 0.43 0.00 -0.57 0.00 0.00 31.44 30.65 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 0.22 -0.65 3.49 4.11 -2.00 1.67 114.58 121.42 1a5j h GLU 65 Ca 0.00 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.43 1a5j h GLU 65 Cb 0.00 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1a5j h GLU 65 CO 0.00 0.14 0.43 0.93 0.07 0.00 0.00 179.01 180.58 1a5j h GLU 66 N 0.22 0.83 0.39 1.06 5.08 -1.98 0.21 114.58 120.39 1a5j h GLU 66 Ca 0.70 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.99 1a5j h GLU 66 Cb 1.59 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1a5j h GLU 66 CO -0.67 0.55 -0.19 0.22 -1.00 0.00 0.00 179.01 177.93 1a5j h ASP 67 N 0.86 -0.44 0.70 1.42 1.82 0.31 -2.49 116.42 118.60 1a5j h ASP 67 Ca 0.24 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 1a5j h ASP 67 Cb -0.07 0.11 0.01 0.00 0.68 0.00 0.00 39.33 40.06 1a5j h ASP 67 CO -0.06 -0.30 -0.33 0.03 -1.61 0.00 0.00 179.24 176.97 1a5j h ARG 68 N -0.54 -0.90 -0.82 0.28 3.08 -0.94 -2.39 114.38 112.15 1a5j h ARG 68 Ca -0.05 0.06 0.34 0.00 0.07 0.00 0.00 59.98 60.40 1a5j h ARG 68 Cb 0.41 0.21 -0.14 0.00 0.08 0.00 0.00 29.97 30.52 1a5j h ARG 68 CO 0.09 -0.59 0.45 -0.89 -1.07 0.00 0.00 179.97 177.96 1a5j n ILE 69 N -5.47 -0.33 0.00 2.04 5.41 0.69 0.11 119.36 121.81 1a5j n ILE 69 Ca -0.14 1.62 0.00 0.00 1.00 0.00 0.00 62.75 65.23 1a5j n ILE 69 Cb 0.38 -2.63 0.00 0.00 -0.71 0.00 0.00 39.64 36.68 1a5j n ILE 69 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1a5j n ILE 70 N -4.78 0.00 0.30 1.39 2.08 -0.94 0.23 119.36 117.64 1a5j n ILE 70 Ca 0.31 1.16 0.11 0.00 0.56 0.00 0.00 62.75 64.88 1a5j n ILE 70 Cb 1.05 -2.14 0.54 0.00 -0.75 0.00 0.00 39.64 38.33 1a5j n ILE 70 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1a5j h PHE 71 N 0.00 0.00 0.00 1.39 3.04 -0.15 0.40 116.94 121.62 1a5j h PHE 71 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1a5j h PHE 71 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1a5j h PHE 71 CO 0.15 0.00 -0.08 1.49 -2.02 0.00 0.00 178.31 177.85 1a5j h GLU 72 N 0.00 0.00 -0.05 1.11 4.81 0.96 -3.26 114.58 118.15 1a5j h GLU 72 Ca 0.03 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1a5j h GLU 72 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 1a5j h GLU 72 CO -0.00 0.00 0.29 0.00 -0.73 0.00 0.00 179.01 178.57 1a5j h ALA 73 N -1.52 1.40 0.00 2.92 0.00 0.82 1.68 119.26 124.57 1a5j h ALA 73 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a5j h ALA 73 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a5j h ALA 73 CO 0.00 -0.32 0.00 1.58 0.00 0.00 0.00 179.25 180.51 1a5j n HIS 74 N -3.06 0.81 -0.52 0.00 -0.00 0.13 -2.19 115.22 110.39 1a5j n HIS 74 Ca -0.01 0.26 0.09 0.00 -0.00 0.00 0.00 57.72 58.06 1a5j n HIS 74 Cb 0.36 -0.93 0.30 0.00 -0.00 0.00 0.00 29.99 29.72 1a5j n HIS 74 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 1a5j n LYS 75 N -2.19 3.28 -0.01 1.57 2.85 0.57 -3.39 118.16 120.84 1a5j n LYS 75 Ca 0.04 -2.67 -0.02 0.00 -1.05 0.00 0.00 58.31 54.62 1a5j n LYS 75 Cb 0.35 -1.70 -0.01 0.00 -0.65 0.00 0.00 35.03 33.02 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 0.91 0.16 0.00 0.58 0.31 -0.95 -4.96 118.33 114.39 1a5j n VAL 76 Ca 0.22 -0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1a5j n VAL 76 Cb 0.74 -0.70 -0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 -2.43 0.07 0.00 7.52 4.32 -0.93 -5.13 117.00 120.42 1a5j n LEU 77 Ca -0.05 0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.95 1a5j n LEU 77 Cb 0.56 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.34 1a5j n LEU 77 CO 0.03 -0.52 0.00 0.61 -1.22 0.00 0.00 177.39 176.30 1a5j n GLY 78 N 3.50 0.30 1.29 -0.72 0.00 -1.22 -4.82 105.19 103.52 1a5j n GLY 78 Ca -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 3.64 -2.76 1.61 6.94 -1.26 -4.59 115.26 118.85 1a5j n ASN 79 Ca 0.00 -2.53 -0.17 0.00 -0.02 0.00 0.00 54.58 51.86 1a5j n ASN 79 Cb 0.00 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 36.76 1a5j n ASN 79 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1a5j n ARG 80 N 0.33 1.86 -0.29 -3.83 0.63 -1.26 -4.50 116.66 109.60 1a5j n ARG 80 Ca 0.16 -1.16 0.16 0.00 -0.92 0.00 0.00 57.85 56.09 1a5j n ARG 80 Cb 0.79 -2.20 0.43 0.00 0.45 0.00 0.00 32.46 31.93 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 5.24 0.77 -0.30 -0.14 4.06 -1.91 1.42 115.95 125.10 1a5j h TRP 81 Ca 0.36 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.42 1a5j h TRP 81 Cb 0.52 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1a5j h TRP 81 CO 1.75 0.20 0.34 0.00 -3.56 0.00 0.00 178.44 177.17 1a5j h ALA 82 N 1.62 1.94 0.01 1.49 0.00 -1.89 -0.72 119.26 121.71 1a5j h ALA 82 Ca 0.51 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 55.02 1a5j h ALA 82 Cb 1.04 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 1a5j h ALA 82 CO -0.26 -0.50 -2.45 0.39 0.00 0.00 0.00 179.25 176.44 1a5j n GLU 83 N -3.69 0.65 -0.29 0.00 -0.58 0.45 -3.82 120.64 113.37 1a5j n GLU 83 Ca 0.05 0.16 0.11 0.00 -0.42 0.00 0.00 57.16 57.05 1a5j n GLU 83 Cb 0.49 -1.53 0.26 0.00 -0.57 0.00 0.00 31.44 30.09 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 -0.04 0.46 -0.28 -3.67 1.08 0.78 0.76 117.51 116.60 1a5j h ILE 84 Ca -0.58 -0.11 -0.14 0.00 -0.39 0.00 0.00 64.86 63.64 1a5j h ILE 84 Cb 1.90 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.74 1a5j h ILE 84 CO -0.09 0.06 -0.40 0.00 -0.69 0.00 0.00 178.15 177.03 1a5j h ALA 85 N 1.69 0.77 -0.73 1.87 0.00 -1.35 -2.65 119.26 118.85 1a5j h ALA 85 Ca 0.51 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1a5j h ALA 85 Cb 0.95 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1a5j h ALA 85 CO -0.55 0.66 0.48 0.87 0.00 0.00 0.00 179.25 180.71 1a5j h LYS 86 N 0.56 0.65 0.00 0.00 1.57 0.32 0.71 116.57 120.39 1a5j h LYS 86 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1a5j h LYS 86 Cb 0.93 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1a5j h LYS 86 CO 0.08 0.43 0.00 -0.07 -0.57 0.00 0.00 179.45 179.33 1a5j h LEU 87 N 0.67 0.00-10.37 2.94 3.38 -0.54 -3.45 115.31 107.95 1a5j h LEU 87 Ca 0.33 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.85 1a5j h LEU 87 Cb 0.41 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.18 1a5j h LEU 87 CO -0.12 0.00 -0.16 -0.76 0.09 0.00 0.00 178.44 177.50 1a5j s LEU 88 N -5.14 3.69 0.00 1.67 1.43 0.25 -4.97 118.68 115.61 1a5j s LEU 88 Ca 0.06 0.11 0.19 0.00 -1.03 0.00 0.00 54.13 53.46 1a5j s LEU 88 Cb 0.09 -3.01 1.14 0.00 0.03 0.00 0.00 46.19 44.45 1a5j s LEU 88 CO 0.53 -0.68 1.59 -0.81 0.23 0.00 0.00 176.35 177.21 1a5j n PRO 89 N -1.98 0.75 0.00 1.29 -0.04 -1.26 -4.74 135.00 129.01 1a5j n PRO 89 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1a5j n PRO 89 Cb 0.58 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.45 2.12 0.35 0.55 0.00 -1.26 -5.08 105.19 102.33 1a5j n GLY 90 Ca 0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.28 1.61 5.12 -1.26 -5.14 116.66 116.71 1a5j n ARG 91 Ca 0.00 -0.57 0.04 0.00 -1.93 0.00 0.00 57.85 55.39 1a5j n ARG 91 Cb 0.00 -0.33 -0.01 0.00 -1.16 0.00 0.00 32.46 30.96 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 0.00 0.00 -0.10 0.55 -2.24 -1.26 -3.78 114.28 107.45 1a5j n THR 92 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1a5j n THR 92 Cb 0.59 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 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 -4.20 1.91 -0.53 3.42 5.75 -1.26 -3.86 116.55 117.79 1a5j n ASP 93 Ca 0.00 0.41 0.44 0.00 -0.01 0.00 0.00 54.79 55.63 1a5j n ASP 93 Cb 0.13 -0.80 0.77 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.00 0.04 0.39 -1.12 7.08 -1.92 0.56 115.58 119.61 1a5j h ASN 94 Ca -0.17 0.02 -0.02 0.00 -3.08 0.00 0.00 56.30 53.05 1a5j h ASN 94 Cb 1.04 0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 1a5j h ASN 94 CO -0.10 -0.02 -0.19 0.00 -2.08 0.00 0.00 177.43 175.04 1a5j h ALA 95 N 1.23 -0.74 0.27 4.14 0.00 -1.75 -2.35 119.26 120.07 1a5j h ALA 95 Ca 0.78 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.58 1a5j h ALA 95 Cb 3.04 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 21.00 1a5j h ALA 95 CO -0.06 -0.70 -0.43 0.28 0.00 0.00 0.00 179.25 178.34 1a5j h VAL 96 N -0.78 0.14 -0.97 0.00 2.07 -0.63 0.86 116.25 116.94 1a5j h VAL 96 Ca -0.05 0.00 0.34 0.00 0.82 0.00 0.00 66.70 67.80 1a5j h VAL 96 Cb 0.40 0.14 -0.18 0.00 -1.52 0.00 0.00 31.29 30.13 1a5j h VAL 96 CO 0.09 0.00 0.27 1.17 0.02 0.00 0.00 177.57 179.12 1a5j n LYS 97 N -5.49 -0.07 -0.03 1.57 4.81 0.16 0.13 118.16 119.24 1a5j n LYS 97 Ca -0.09 1.39 -0.15 0.00 -0.87 0.00 0.00 58.31 58.60 1a5j n LYS 97 Cb 0.40 -2.35 -0.11 0.00 0.02 0.00 0.00 35.03 32.99 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 0.19 -0.31 3.14 -0.73 -0.58 -3.04 115.58 114.25 1a5j h ASN 98 Ca 0.71 -0.74 0.09 0.00 1.87 0.00 0.00 56.30 58.23 1a5j h ASN 98 Cb 1.70 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 40.22 1a5j h ASN 98 CO -0.83 0.90 0.74 -0.74 -0.37 0.00 0.00 177.43 177.13 1a5j h HIS 99 N -0.50 0.00 0.19 0.67 2.76 0.82 3.23 115.15 122.32 1a5j h HIS 99 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 1a5j h HIS 99 Cb 0.92 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.88 1a5j h HIS 99 CO 0.17 0.00 -0.09 2.35 -1.30 0.00 0.00 177.93 179.06 1a5j h TRP 100 N 0.00 -0.24 -0.00 5.26 -0.00 -0.68 0.28 115.95 120.57 1a5j h TRP 100 Ca 0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.03 1a5j h TRP 100 Cb 1.62 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 30.86 1a5j h TRP 100 CO 0.00 0.16 -0.26 0.09 -0.00 0.00 0.00 178.44 178.43 1a5j n ASN 101 N -5.00 0.71 0.00 2.65 3.02 0.30 0.52 115.26 117.46 1a5j n ASN 101 Ca -0.09 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1a5j n ASN 101 Cb 0.26 0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1a5j n ASN 101 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1a5j n SER 102 N -0.96 0.00 0.00 6.41 2.88 1.00 -4.76 113.62 118.19 1a5j n SER 102 Ca 0.11 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1a5j n SER 102 Cb 0.33 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1a5j n THR 103 N -1.54 0.00 -1.09 2.46 -1.04 -1.03 -4.78 114.28 107.26 1a5j n THR 103 Ca 0.00 -0.09 -0.25 0.00 -2.04 0.00 0.00 64.05 61.67 1a5j n THR 103 Cb 0.00 1.16 0.13 0.00 -1.82 0.00 0.00 70.33 69.80 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 -0.14 3.16 -1.97 12.58 2.08 0.97 -4.33 119.36 131.70 1a5j n ILE 104 Ca 0.00 -2.06 -0.26 0.00 0.56 0.00 0.00 62.75 60.99 1a5j n ILE 104 Cb 0.04 -0.75 0.03 0.00 -0.75 0.00 0.00 39.64 38.21 1a5j n ILE 104 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1a5j n LYS 105 N -0.88 3.47 0.01 0.38 -0.00 0.18 -4.63 118.16 116.69 1a5j n LYS 105 Ca 0.55 -4.08 -0.01 0.00 -0.00 0.00 0.00 58.31 54.77 1a5j n LYS 105 Cb 1.25 -2.28 -0.01 0.00 -0.00 0.00 0.00 35.03 34.00 1a5j n LYS 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a5j h ARG 106 N 2.21 -0.07 -5.69 -1.58 2.47 -1.84 -3.41 114.38 106.47 1a5j h ARG 106 Ca 0.40 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.82 1a5j h ARG 106 Cb 1.37 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.67 1a5j h ARG 106 CO 0.88 -0.05 0.83 0.21 0.56 0.00 0.00 179.97 182.41 1a5j s LYS 107 N -1.63 2.32 0.00 0.04 2.20 -1.26 -3.89 119.74 117.52 1a5j s LYS 107 Ca -0.01 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1a5j s LYS 107 Cb 0.00 -4.80 0.00 0.00 -1.51 0.00 0.00 37.83 31.53 1a5j s LYS 107 CO 0.03 -3.44 0.00 0.28 -0.36 0.00 0.00 175.35 171.86 1a5j n VAL 108 N 7.92 0.00 -0.48 4.02 0.31 -1.26 -4.89 118.33 123.94 1a5j n VAL 108 Ca 0.36 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 1a5j n VAL 108 Cb 0.48 -0.06 0.11 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.31 3.85 0.00 4.52 2.03 -1.25 -5.27 116.55 118.12 1a5j n ASP 109 Ca 0.00 -3.05 0.00 0.00 0.52 0.00 0.00 54.79 52.26 1a5j n ASP 109 Cb 0.00 -0.75 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1a5j n ASP 109 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69