#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 1.45 1.50 -0.61 3.06 -1.26 -4.84 119.36 118.65 1a5j n ILE 2 Ca 0.00 -3.09 0.03 0.00 -2.50 0.00 0.00 62.75 57.19 1a5j n ILE 2 Cb 0.00 0.90 0.15 0.00 0.54 0.00 0.00 39.64 41.23 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 1a5j n PRO 3 N -0.59 0.75 -0.27 9.51 -0.04 -1.26 -2.02 135.00 141.07 1a5j n PRO 3 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1a5j n PRO 3 Cb 0.84 -1.10 0.12 0.00 -0.04 0.00 0.00 33.50 33.31 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 -0.60 1.79 -0.57 3.54 2.03 -1.26 -4.61 116.55 116.87 1a5j n ASP 4 Ca 0.04 -2.97 -0.00 0.00 0.52 0.00 0.00 54.79 52.37 1a5j n ASP 4 Cb 0.02 -0.40 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 1a5j n ASP 4 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1a5j n LEU 5 N -1.07 -0.05 -0.01 -2.67 4.77 -0.86 -4.87 117.00 112.24 1a5j n LEU 5 Ca 0.13 -1.11 0.01 0.00 -0.03 0.00 0.00 56.01 55.00 1a5j n LEU 5 Cb 0.68 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1a5j n LEU 5 CO -0.00 0.84 -0.61 0.52 -1.33 0.00 0.00 177.39 176.81 1a5j n VAL 6 N 0.02 0.15 1.54 4.08 0.31 -1.15 -4.13 118.33 119.14 1a5j n VAL 6 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1a5j n VAL 6 Cb 0.59 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 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 -1.90 0.80 0.00 5.55 0.00 -1.26 -4.02 118.16 117.33 1a5j n LYS 7 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1a5j n LYS 7 Cb 0.36 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.36 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 0.28 -1.97 3.81 2.58 0.00 -1.26 -5.17 105.19 103.46 1a5j n GLY 8 Ca 0.00 0.94 -0.30 0.00 0.00 0.00 0.00 46.02 46.66 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 2.22 -0.10 1.61 0.04 -1.26 -4.95 135.00 132.57 1a5j s PRO 9 Ca 0.00 0.69 0.07 0.00 0.04 0.00 0.00 61.00 61.80 1a5j s PRO 9 Cb 0.00 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.50 1a5j s PRO 9 CO 0.00 -1.54 0.01 0.91 0.04 0.00 0.00 177.00 176.42 1a5j n TRP 10 N -3.38 0.00 -4.54 0.56 7.02 -1.26 -5.09 117.44 110.75 1a5j n TRP 10 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1a5j n TRP 10 Cb 0.56 -0.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 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 -2.42 0.00 0.08 -0.99 -2.24 -1.26 -3.31 114.28 104.13 1a5j n THR 11 Ca -0.16 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 1a5j n THR 11 Cb 0.79 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.99 -3.29 116.57 114.15 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 0.73 0.00 -1.91 -2.27 0.00 0.00 179.45 176.00 1a5j n GLU 13 N -3.24 0.00 -0.34 1.90 0.00 -1.25 0.21 120.64 117.92 1a5j n GLU 13 Ca -0.02 0.60 0.16 0.00 0.00 0.00 0.00 57.16 57.90 1a5j n GLU 13 Cb 0.88 -1.24 0.37 0.00 0.00 0.00 0.00 31.44 31.45 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 0.62 -0.09 5.31 4.39 -1.73 1.13 114.58 124.20 1a5j h GLU 14 Ca 0.00 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1a5j h GLU 14 Cb 0.00 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1a5j h GLU 14 CO 0.00 0.41 -0.06 -0.44 -1.16 0.00 0.00 179.01 177.76 1a5j h ASP 15 N 0.64 0.12 0.03 1.42 3.32 -1.28 -0.76 116.42 119.90 1a5j h ASP 15 Ca 0.61 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.62 1a5j h ASP 15 Cb 1.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1a5j h ASP 15 CO -0.42 0.20 -0.08 0.06 -1.72 0.00 0.00 179.24 177.28 1a5j h GLN 16 N 0.13 0.15 -0.03 3.56 -0.00 1.16 -2.45 115.11 117.62 1a5j h GLN 16 Ca 0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1a5j h GLN 16 Cb 0.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1a5j h GLN 16 CO 0.01 0.24 0.00 -0.22 -0.00 0.00 0.00 178.83 178.87 1a5j h LYS 17 N 0.14 0.06 -1.00 0.06 3.64 -0.90 -2.59 116.57 115.98 1a5j h LYS 17 Ca 0.03 -0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.62 1a5j h LYS 17 Cb 0.24 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 31.95 1a5j h LYS 17 CO 0.01 0.30 0.62 0.28 -2.27 0.00 0.00 179.45 178.40 1a5j h VAL 18 N -0.20 0.62 -0.29 2.00 2.07 -1.36 0.78 116.25 119.87 1a5j h VAL 18 Ca 0.01 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.35 1a5j h VAL 18 Cb 0.28 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 1a5j h VAL 18 CO 0.00 0.11 0.13 0.40 0.02 0.00 0.00 177.57 178.23 1a5j h ILE 19 N 0.60 0.96 -0.26 4.57 1.08 -1.22 0.27 117.51 123.53 1a5j h ILE 19 Ca 0.59 -0.09 -0.09 0.00 -0.39 0.00 0.00 64.86 64.87 1a5j h ILE 19 Cb 1.14 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1a5j h ILE 19 CO -0.36 0.05 -0.20 -0.08 -0.69 0.00 0.00 178.15 176.87 1a5j h GLU 20 N 0.27 0.58 -0.57 2.37 4.81 -0.14 -2.92 114.58 118.98 1a5j h GLU 20 Ca 0.12 -0.29 0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1a5j h GLU 20 Cb 0.06 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.37 1a5j h GLU 20 CO -0.10 0.87 0.20 -0.07 -0.73 0.00 0.00 179.01 179.18 1a5j h LEU 21 N 0.30 0.20 0.17 1.64 3.38 0.74 0.66 115.31 122.40 1a5j h LEU 21 Ca 0.05 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1a5j h LEU 21 Cb 0.74 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1a5j h LEU 21 CO 0.05 0.13 -0.52 0.58 0.09 0.00 0.00 178.44 178.77 1a5j h VAL 22 N 0.38 0.00 0.00 1.22 2.07 -0.38 1.37 116.25 120.92 1a5j h VAL 22 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 1a5j h VAL 22 Cb 0.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1a5j h VAL 22 CO -0.29 0.00 0.06 2.29 0.02 0.00 0.00 177.57 179.65 1a5j n LYS 23 N -5.40 0.13 -0.02 1.57 2.85 -0.86 0.28 118.16 116.71 1a5j n LYS 23 Ca -0.09 0.63 -0.21 0.00 -1.05 0.00 0.00 58.31 57.60 1a5j n LYS 23 Cb 0.41 -2.00 -0.13 0.00 -0.65 0.00 0.00 35.03 32.66 1a5j n LYS 23 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1a5j h LYS 24 N 0.00 0.18 0.00 -1.58 3.64 0.25 -3.40 116.57 115.66 1a5j h LYS 24 Ca 0.00 -0.31 -0.09 0.00 -1.27 0.00 0.00 60.65 58.98 1a5j h LYS 24 Cb 0.11 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1a5j h LYS 24 CO 0.00 1.15 -0.54 1.88 -2.27 0.00 0.00 179.45 179.67 1a5j h TYR 25 N -0.48 0.00 0.00 1.91 -1.99 0.36 -3.51 116.97 113.27 1a5j h TYR 25 Ca -0.29 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.44 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 0.13 1.04 0.00 0.41 -0.00 0.00 0.00 178.16 179.74 1a5j n GLY 26 N 1.55 -0.22 2.71 3.88 0.00 0.80 -5.00 105.19 108.91 1a5j n GLY 26 Ca -0.18 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1a5j n GLY 26 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5j n THR 27 N 0.00 0.00 -2.09 2.61 -2.24 -1.26 -3.97 114.28 107.33 1a5j n THR 27 Ca 0.00 -1.27 -0.01 0.00 -2.27 0.00 0.00 64.05 60.50 1a5j n THR 27 Cb 0.00 1.38 0.01 0.00 -2.10 0.00 0.00 70.33 69.62 1a5j n THR 27 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1a5j n LYS 28 N 0.68 0.16 0.04 -0.78 4.81 -1.26 -5.03 118.16 116.78 1a5j n LYS 28 Ca 0.04 -0.26 0.00 0.00 -0.87 0.00 0.00 58.31 57.22 1a5j n LYS 28 Cb 0.70 0.30 0.00 0.00 0.02 0.00 0.00 35.03 36.05 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 -0.18 0.00 -1.00 1.64 6.02 -1.26 -4.99 117.38 117.61 1a5j n GLN 29 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1a5j n GLN 29 Cb 0.47 -0.39 0.00 0.00 1.02 0.00 0.00 30.24 31.35 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 -3.28 0.00 -0.11 1.08 7.02 -1.26 -4.81 117.44 116.08 1a5j n TRP 30 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 1a5j n TRP 30 Cb 0.00 -1.26 -0.09 0.00 -2.42 0.00 0.00 31.31 27.55 1a5j n TRP 30 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1a5j n THR 31 N -2.37 1.51 0.26 -0.99 -1.04 -1.26 -2.91 114.28 107.49 1a5j n THR 31 Ca 0.00 -0.13 0.12 0.00 -2.04 0.00 0.00 64.05 62.00 1a5j n THR 31 Cb 0.31 -2.05 0.64 0.00 -1.82 0.00 0.00 70.33 67.40 1a5j n THR 31 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 1a5j h LEU 32 N -1.00 0.00 0.00 -4.42 8.10 -1.95 2.32 115.31 118.36 1a5j h LEU 32 Ca -0.42 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.50 1a5j h LEU 32 Cb 1.31 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.52 1a5j h LEU 32 CO -0.25 0.00 -0.80 -0.38 -4.11 0.00 0.00 178.44 172.90 1a5j n ILE 33 N -2.53 1.45 1.77 0.15 -0.00 -1.26 -2.01 119.36 116.94 1a5j n ILE 33 Ca -0.02 0.13 0.01 0.00 -0.00 0.00 0.00 62.75 62.88 1a5j n ILE 33 Cb 0.33 -2.29 0.06 0.00 -0.00 0.00 0.00 39.64 37.73 1a5j n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1a5j n ALA 34 N -3.68 2.40 -0.02 -1.39 0.00 -0.49 -0.51 120.51 116.82 1a5j n ALA 34 Ca -0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1a5j n ALA 34 Cb 0.40 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 1a5j n ALA 34 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1a5j n LYS 35 N -0.54 1.46 0.08 0.00 4.81 0.77 -4.71 118.16 120.03 1a5j n LYS 35 Ca 0.01 0.01 -0.22 0.00 -0.87 0.00 0.00 58.31 57.25 1a5j n LYS 35 Cb 0.01 -1.08 -0.15 0.00 0.02 0.00 0.00 35.03 33.83 1a5j n LYS 35 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1a5j h HIS 36 N 0.00 0.70 -3.61 5.64 3.86 -1.22 -3.43 115.15 117.08 1a5j h HIS 36 Ca -0.09 -0.51 -0.70 0.00 -1.16 0.00 0.00 60.37 57.92 1a5j h HIS 36 Cb 1.16 -0.03 -0.30 0.00 1.06 0.00 0.00 27.41 29.30 1a5j h HIS 36 CO 0.00 1.62 -0.58 -0.51 0.86 0.00 0.00 177.93 179.32 1a5j s LEU 37 N -7.26 4.57 0.00 2.43 1.43 0.33 -5.06 118.68 115.12 1a5j s LEU 37 Ca -0.14 -1.37 0.00 0.00 -1.03 0.00 0.00 54.13 51.58 1a5j s LEU 37 Cb 0.06 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1a5j s LEU 37 CO 0.86 -0.39 0.00 2.29 0.23 0.00 0.00 176.35 179.34 1a5j n LYS 38 N 4.77 3.08 0.00 1.70 2.85 -1.26 -4.40 118.16 124.90 1a5j n LYS 38 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1a5j n LYS 38 Cb 0.44 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.82 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a5j n GLY 39 N 5.00 1.69 1.60 2.58 0.00 -1.26 -4.82 105.19 109.98 1a5j n GLY 39 Ca 0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 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 0.35 -0.56 1.61 3.00 -1.26 -5.04 116.66 114.76 1a5j n ARG 40 Ca 0.00 -1.29 -0.31 0.00 -0.01 0.00 0.00 57.85 56.25 1a5j n ARG 40 Cb 0.00 1.27 0.28 0.00 0.00 0.00 0.00 32.46 34.01 1a5j n ARG 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1a5j n LEU 41 N 0.00 0.00 -4.08 0.55 7.99 -1.26 -4.93 117.00 115.27 1a5j n LEU 41 Ca -0.00 -1.00 -0.32 0.00 -0.01 0.00 0.00 56.01 54.68 1a5j n LEU 41 Cb 0.28 -1.01 0.09 0.00 -0.11 0.00 0.00 43.42 42.67 1a5j n LEU 41 CO 0.14 -2.59 -1.22 0.61 -1.51 0.00 0.00 177.39 172.82 1a5j n GLY 42 N -5.44 -2.63 2.62 -0.72 0.00 -1.26 -4.81 105.19 92.94 1a5j n GLY 42 Ca 0.14 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 0.41 2.58 -2.97 1.61 3.00 -1.26 -4.82 118.16 116.71 1a5j n LYS 43 Ca -0.00 -3.05 -0.18 0.00 -0.00 0.00 0.00 58.31 55.08 1a5j n LYS 43 Cb 0.62 -2.19 -0.03 0.00 0.00 0.00 0.00 35.03 33.42 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 -0.22 -1.55 -0.35 1.64 7.27 -1.26 -4.63 117.38 118.27 1a5j n GLN 44 Ca 0.53 0.06 0.31 0.00 0.07 0.00 0.00 57.00 57.97 1a5j n GLN 44 Cb 0.42 -3.45 0.58 0.00 2.41 0.00 0.00 30.24 30.20 1a5j n GLN 44 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1a5j h ARG 46 N 0.09 -0.21 -4.99 0.00 3.08 -1.99 -3.07 114.38 107.29 1a5j h ARG 46 Ca 0.82 0.01 -0.41 0.00 0.07 0.00 0.00 59.98 60.48 1a5j h ARG 46 Cb 2.19 0.05 0.07 0.00 0.08 0.00 0.00 29.97 32.36 1a5j h ARG 46 CO -0.67 -0.14 1.10 -1.91 -1.07 0.00 0.00 179.97 177.29 1a5j n GLU 47 N -4.58 0.44 0.03 0.04 2.13 0.90 -0.23 120.64 119.36 1a5j n GLU 47 Ca -0.02 -1.49 0.00 0.00 0.66 0.00 0.00 57.16 56.31 1a5j n GLU 47 Cb 0.23 -3.11 0.00 0.00 0.27 0.00 0.00 31.44 28.83 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 7.91 0.00 -0.01 5.31 3.00 -1.16 -4.88 116.66 126.83 1a5j n ARG 48 Ca 0.46 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.35 1a5j n ARG 48 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.81 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 -2.98 0.00 0.02 -0.14 2.14 -1.03 -3.63 117.44 111.81 1a5j n TRP 49 Ca 0.00 0.00 -0.02 0.00 2.07 0.00 0.00 57.50 59.55 1a5j n TRP 49 Cb 0.00 -0.26 -0.10 0.00 -0.81 0.00 0.00 31.31 30.15 1a5j n TRP 49 CO 0.00 0.00 0.00 0.72 2.07 0.00 0.00 177.69 180.48 1a5j n HIS 50 N -1.89 0.95 -0.61 -2.67 8.25 0.68 -3.85 115.22 116.07 1a5j n HIS 50 Ca -0.03 0.32 0.08 0.00 -0.26 0.00 0.00 57.72 57.83 1a5j n HIS 50 Cb 0.30 -1.10 0.24 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.91 3.74 0.00 0.41 5.03 -0.93 -4.56 115.26 116.04 1a5j n ASN 51 Ca -0.12 -2.52 -0.06 0.00 0.87 0.00 0.00 54.58 52.75 1a5j n ASN 51 Cb 0.89 -0.44 -0.05 0.00 -1.02 0.00 0.00 39.78 39.17 1a5j n ASN 51 CO 0.00 0.00 0.00 -0.74 -1.83 0.00 0.00 177.26 174.69 1a5j h HIS 52 N 2.37 -0.11 -2.42 3.10 2.76 -1.67 -3.44 115.15 115.74 1a5j h HIS 52 Ca 0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1a5j h HIS 52 Cb 1.19 0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.19 1a5j h HIS 52 CO 0.46 0.21 0.00 -0.11 -1.30 0.00 0.00 177.93 177.19 1a5j n LEU 53 N -4.83 -1.62 -3.15 0.26 0.00 -1.26 -5.06 117.00 101.34 1a5j n LEU 53 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 56.01 55.75 1a5j n LEU 53 Cb 0.18 -0.81 -0.05 0.00 0.00 0.00 0.00 43.42 42.75 1a5j n LEU 53 CO 0.14 0.00 -0.24 -3.20 0.00 0.00 0.00 177.39 174.10 1a5j n ASN 54 N -0.30 0.09 -3.25 1.96 5.15 -1.26 -5.12 115.26 112.53 1a5j n ASN 54 Ca 0.00 -2.83 0.00 0.00 -0.60 0.00 0.00 54.58 51.15 1a5j n ASN 54 Cb 0.00 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 38.83 1a5j n ASN 54 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1a5j n PRO 55 N 1.11 1.43 0.00 1.20 -0.04 -1.26 -5.07 135.00 132.38 1a5j n PRO 55 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 1a5j n PRO 55 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1a5j n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1a5j n GLU 56 N 0.00 -0.04 0.22 0.54 -0.58 -1.26 -4.89 120.64 114.64 1a5j n GLU 56 Ca 0.00 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.89 1a5j n GLU 56 Cb 0.00 0.00 0.69 0.00 -0.57 0.00 0.00 31.44 31.56 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1a5j h VAL 57 N -0.94 0.00 0.00 2.62 2.07 -1.89 -3.39 116.25 114.72 1a5j h VAL 57 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1a5j h VAL 57 Cb 0.00 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1a5j h VAL 57 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 1a5j n LYS 58 N -2.67 0.00 0.00 1.57 4.76 -1.26 -4.84 118.16 115.72 1a5j n LYS 58 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a5j n LYS 58 Cb 0.20 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.39 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1a5j n LYS 59 N 0.00 0.00 -1.78 1.97 4.01 -1.26 -2.02 118.16 119.08 1a5j n LYS 59 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 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 1.32 4.94 0.00 4.39 7.64 -1.26 -4.76 113.62 125.88 1a5j n SER 60 Ca 0.00 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1a5j n SER 60 Cb 0.00 -1.60 0.00 0.00 -1.01 0.00 0.00 64.21 61.60 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 5.19 0.00 -3.92 6.43 7.64 -0.85 -5.16 113.62 122.94 1a5j n SER 61 Ca 0.54 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 60.13 1a5j n SER 61 Cb 0.36 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.82 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 -1.89 0.33 0.00 1.43 0.52 -1.26 -4.86 118.94 113.21 1a5j s TRP 62 Ca 0.00 0.80 0.00 0.00 0.02 0.00 0.00 56.10 56.92 1a5j s TRP 62 Cb 0.00 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.29 1a5j s TRP 62 CO 0.00 -4.42 0.00 0.25 0.02 0.00 0.00 176.95 172.80 1a5j n THR 63 N -5.25 0.00 0.00 2.01 -2.24 -1.26 -4.04 114.28 103.50 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 0.58 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 -0.39 -0.78 -0.58 -1.26 -2.00 120.64 115.63 1a5j n GLU 64 Ca 0.00 0.04 0.31 0.00 -0.42 0.00 0.00 57.16 57.08 1a5j n GLU 64 Cb 0.00 -0.72 0.58 0.00 -0.57 0.00 0.00 31.44 30.73 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 0.19 -0.62 3.49 4.11 -1.99 1.79 114.58 121.55 1a5j h GLU 65 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1a5j h GLU 65 Cb 0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1a5j h GLU 65 CO 0.00 0.13 0.28 0.93 0.07 0.00 0.00 179.01 180.42 1a5j h GLU 66 N 0.20 0.89 0.15 1.06 5.08 -1.98 0.22 114.58 120.19 1a5j h GLU 66 Ca 0.75 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.98 1a5j h GLU 66 Cb 2.14 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1a5j h GLU 66 CO -0.45 0.70 -0.07 0.22 -1.00 0.00 0.00 179.01 178.41 1a5j h ASP 67 N 0.88 -0.17 0.53 1.42 1.82 0.33 -2.75 116.42 118.49 1a5j h ASP 67 Ca 0.22 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1a5j h ASP 67 Cb 0.12 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.15 1a5j h ASP 67 CO -0.03 0.27 -0.48 0.03 -1.61 0.00 0.00 179.24 177.42 1a5j h ARG 68 N -0.65 -0.97 0.00 0.28 3.08 -1.01 0.26 114.38 115.38 1a5j h ARG 68 Ca -0.02 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1a5j h ARG 68 Cb 0.48 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1a5j h ARG 68 CO 0.03 -0.64 0.00 -0.89 -1.07 0.00 0.00 179.97 177.40 1a5j n ILE 69 N -5.56 0.00 -0.21 2.04 5.41 0.76 0.24 119.36 122.03 1a5j n ILE 69 Ca -0.12 1.37 -0.07 0.00 1.00 0.00 0.00 62.75 64.92 1a5j n ILE 69 Cb 0.46 -1.87 -0.02 0.00 -0.71 0.00 0.00 39.64 37.50 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 0.10 -0.08 1.39 2.04 -1.45 1.83 117.51 121.34 1a5j h ILE 70 Ca 0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 1a5j h ILE 70 Cb 0.00 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.18 1a5j h ILE 70 CO 0.00 0.00 0.59 0.15 0.00 0.00 0.00 178.15 178.89 1a5j h PHE 71 N -0.20 0.00 0.01 1.37 3.04 0.15 0.16 116.94 121.47 1a5j h PHE 71 Ca 0.20 0.00 -0.41 0.00 3.98 0.00 0.00 57.97 61.74 1a5j h PHE 71 Cb 0.56 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 39.01 1a5j h PHE 71 CO -0.70 0.00 -2.32 -1.91 -2.02 0.00 0.00 178.31 171.36 1a5j n GLU 72 N -2.84 0.62 0.29 1.11 2.13 0.55 -4.20 120.64 118.30 1a5j n GLU 72 Ca 0.00 0.27 0.18 0.00 0.66 0.00 0.00 57.16 58.27 1a5j n GLU 72 Cb 0.65 -1.55 0.89 0.00 0.27 0.00 0.00 31.44 31.70 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a5j h ALA 73 N -0.56 1.41 0.00 4.31 0.00 0.32 1.55 119.26 126.29 1a5j h ALA 73 Ca -0.60 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1a5j h ALA 73 Cb 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1a5j h ALA 73 CO -0.26 -0.30 0.00 1.58 0.00 0.00 0.00 179.25 180.27 1a5j n HIS 74 N -3.13 0.79 -0.33 0.00 -0.00 0.27 -2.30 115.22 110.52 1a5j n HIS 74 Ca -0.01 0.25 0.12 0.00 0.46 0.00 0.00 57.72 58.53 1a5j n HIS 74 Cb 0.34 -0.90 0.31 0.00 -0.12 0.00 0.00 29.99 29.62 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 2.72 -0.05 1.57 2.85 0.53 -3.18 118.16 120.45 1a5j n LYS 75 Ca 0.05 -2.62 -0.05 0.00 -1.05 0.00 0.00 58.31 54.64 1a5j n LYS 75 Cb 0.37 -1.55 -0.07 0.00 -0.65 0.00 0.00 35.03 33.12 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 1.60 0.64 0.00 0.58 0.31 -0.97 -4.95 118.33 115.53 1a5j n VAL 76 Ca 0.24 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1a5j n VAL 76 Cb 0.61 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 -2.39 0.00 0.00 7.52 4.32 -1.13 -5.13 117.00 120.19 1a5j n LEU 77 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.83 1a5j n LEU 77 Cb 0.79 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.59 1a5j n LEU 77 CO 0.19 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.53 1a5j n GLY 78 N 2.17 0.02 1.18 -0.72 0.00 -1.19 -4.84 105.19 101.80 1a5j n GLY 78 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.83 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 3.17 -2.45 1.61 6.94 -1.26 -4.58 115.26 118.69 1a5j n ASN 79 Ca 0.00 -2.45 -0.13 0.00 -0.02 0.00 0.00 54.58 51.98 1a5j n ASN 79 Cb 0.00 -0.59 -0.09 0.00 -2.36 0.00 0.00 39.78 36.74 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 0.22 1.64 -0.33 -3.83 0.63 -1.26 -4.49 116.66 109.24 1a5j n ARG 80 Ca 0.14 -0.93 0.22 0.00 -0.92 0.00 0.00 57.85 56.36 1a5j n ARG 80 Cb 0.72 -2.02 0.48 0.00 0.45 0.00 0.00 32.46 32.08 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 4.55 0.75 -0.87 -0.14 4.06 -1.91 1.73 115.95 124.12 1a5j h TRP 81 Ca 0.25 0.03 0.25 0.00 2.06 0.00 0.00 58.89 61.48 1a5j h TRP 81 Cb 0.79 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 1a5j h TRP 81 CO 1.64 0.06 0.72 0.00 -3.56 0.00 0.00 178.44 177.30 1a5j h ALA 82 N 1.65 2.74 0.00 1.49 0.00 -1.90 0.85 119.26 124.09 1a5j h ALA 82 Ca 0.61 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 55.24 1a5j h ALA 82 Cb 1.46 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1a5j h ALA 82 CO -0.34 -1.17 -1.92 0.39 0.00 0.00 0.00 179.25 176.21 1a5j n GLU 83 N -3.95 0.38 -0.31 0.00 -0.58 0.52 -4.13 120.64 112.58 1a5j n GLU 83 Ca 0.18 0.12 0.16 0.00 -0.42 0.00 0.00 57.16 57.20 1a5j n GLU 83 Cb 1.02 -1.23 0.35 0.00 -0.57 0.00 0.00 31.44 31.01 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 -0.24 0.29 -0.27 -3.67 5.03 0.12 1.36 117.51 120.13 1a5j h ILE 84 Ca -0.38 -0.08 -0.15 0.00 -0.12 0.00 0.00 64.86 64.13 1a5j h ILE 84 Cb 1.48 0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 35.30 1a5j h ILE 84 CO -0.14 0.04 -0.42 0.00 -0.68 0.00 0.00 178.15 176.96 1a5j h ALA 85 N 1.81 0.74 -0.01 1.87 0.00 -1.08 -3.35 119.26 119.24 1a5j h ALA 85 Ca 0.61 -0.46 -0.61 0.00 0.00 0.00 0.00 54.91 54.46 1a5j h ALA 85 Cb 1.29 -0.11 0.10 0.00 0.00 0.00 0.00 17.79 19.07 1a5j h ALA 85 CO -0.65 0.66 1.81 1.63 0.00 0.00 0.00 179.25 182.69 1a5j n LYS 86 N -4.03 0.77 0.00 0.00 5.02 0.47 -2.61 118.16 117.78 1a5j n LYS 86 Ca -0.02 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 54.82 1a5j n LYS 86 Cb 0.54 -2.75 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1a5j n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1a5j n LEU 87 N 8.48 0.00 -4.10 -0.35 4.77 -1.26 -4.95 117.00 119.59 1a5j n LEU 87 Ca 0.48 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.20 1a5j n LEU 87 Cb 0.41 0.13 -0.16 0.00 -2.33 0.00 0.00 43.42 41.47 1a5j n LEU 87 CO 1.10 -0.19 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.73 1a5j s LEU 88 N -3.74 1.84 -0.00 2.23 1.02 -1.07 -5.11 118.68 113.84 1a5j s LEU 88 Ca 0.00 -0.34 -0.30 0.00 0.02 0.00 0.00 54.13 53.51 1a5j s LEU 88 Cb 0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 46.19 45.23 1a5j s LEU 88 CO 0.00 0.11 1.19 -2.16 0.02 0.00 0.00 176.35 175.51 1a5j s PRO 89 N 0.27 4.39 0.00 1.29 0.04 -1.26 -3.83 135.00 135.91 1a5j s PRO 89 Ca -0.09 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1a5j s PRO 89 Cb -0.13 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1a5j s PRO 89 CO 0.03 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1a5j n GLY 90 N 3.29 3.68 3.96 0.56 0.00 -1.26 -5.11 105.19 110.31 1a5j n GLY 90 Ca 0.10 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 2.90 0.00 1.61 1.81 -1.25 -5.12 118.95 118.90 1a5j s ARG 91 Ca 0.00 -0.61 0.00 0.00 -1.72 0.00 0.00 55.73 53.40 1a5j s ARG 91 Cb 0.00 -2.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.95 1a5j s ARG 91 CO 0.00 -0.39 0.00 0.25 -0.68 0.00 0.00 175.30 174.48 1a5j n THR 92 N -2.14 0.00 0.01 0.02 -2.24 -1.26 -4.88 114.28 103.79 1a5j n THR 92 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1a5j n THR 92 Cb 0.58 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.01 -1.54 3.42 2.03 -1.91 -1.91 116.42 116.50 1a5j h ASP 93 Ca 0.00 0.00 0.45 0.00 -0.73 0.00 0.00 57.03 56.75 1a5j h ASP 93 Cb 0.00 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.44 1a5j h ASP 93 CO 0.00 -0.00 1.13 -0.55 -1.03 0.00 0.00 179.24 178.78 1a5j h ASN 94 N -0.03 0.00 0.59 4.15 7.08 -1.98 0.64 115.58 126.03 1a5j h ASN 94 Ca -0.00 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.19 1a5j h ASN 94 Cb 0.01 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.26 1a5j h ASN 94 CO 0.00 0.00 -0.28 0.00 -2.08 0.00 0.00 177.43 175.07 1a5j h ALA 95 N 1.19 -0.97 0.43 4.14 0.00 -1.95 -2.23 119.26 119.88 1a5j h ALA 95 Ca 0.73 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.45 1a5j h ALA 95 Cb 2.98 0.31 0.00 0.00 0.00 0.00 0.00 17.79 21.08 1a5j h ALA 95 CO -0.01 -0.91 -0.21 0.28 0.00 0.00 0.00 179.25 178.40 1a5j h VAL 96 N -0.98 0.57 -0.36 0.00 2.07 0.41 0.13 116.25 118.08 1a5j h VAL 96 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1a5j h VAL 96 Cb 0.61 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1a5j h VAL 96 CO 0.13 0.00 -0.21 1.17 0.02 0.00 0.00 177.57 178.68 1a5j n LYS 97 N -5.34 -0.16 0.15 1.57 4.81 0.18 0.12 118.16 119.49 1a5j n LYS 97 Ca -0.11 0.98 -0.13 0.00 -0.87 0.00 0.00 58.31 58.17 1a5j n LYS 97 Cb 0.25 -1.45 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 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 -0.58 -1.31 3.14 -0.73 -1.31 0.02 115.58 114.81 1a5j h ASN 98 Ca 0.06 0.06 0.38 0.00 1.87 0.00 0.00 56.30 58.66 1a5j h ASN 98 Cb 0.15 0.20 -0.05 0.00 0.27 0.00 0.00 38.32 38.89 1a5j h ASN 98 CO -0.34 -0.32 1.06 -0.74 -0.37 0.00 0.00 177.43 176.73 1a5j h HIS 99 N -0.45 0.00 0.19 0.67 2.76 0.24 1.15 115.15 119.71 1a5j h HIS 99 Ca 0.00 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1a5j h HIS 99 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 1a5j h HIS 99 CO -0.16 0.00 -0.09 2.35 -1.30 0.00 0.00 177.93 178.72 1a5j h TRP 100 N 0.00 -0.24 0.00 5.26 -0.00 0.30 -2.06 115.95 119.21 1a5j h TRP 100 Ca 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.51 1a5j h TRP 100 Cb 2.74 0.08 0.00 0.00 -0.00 0.00 0.00 29.16 31.98 1a5j h TRP 100 CO 0.00 -0.15 0.00 0.09 -0.00 0.00 0.00 178.44 178.38 1a5j n ASN 101 N -2.72 0.00 0.00 2.65 3.02 0.42 -0.90 115.26 117.73 1a5j n ASN 101 Ca -0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 1a5j n ASN 101 Cb 0.10 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 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 -1.24 0.00 -0.00 6.41 2.88 0.37 -4.62 113.62 117.43 1a5j n SER 102 Ca 0.09 0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1a5j n SER 102 Cb 0.12 -0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.73 0.00 -0.03 2.46 -1.04 -0.83 -4.60 114.28 109.52 1a5j n THR 103 Ca 0.00 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.05 61.61 1a5j n THR 103 Cb 0.00 0.79 0.07 0.00 -1.82 0.00 0.00 70.33 69.37 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 -1.23 2.00 -2.98 12.58 2.08 -0.08 -4.26 119.36 127.47 1a5j n ILE 104 Ca 0.00 -0.88 -0.15 0.00 0.56 0.00 0.00 62.75 62.28 1a5j n ILE 104 Cb 0.02 -0.84 -0.02 0.00 -0.75 0.00 0.00 39.64 38.05 1a5j n ILE 104 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1a5j n LYS 105 N -0.12 0.62 0.04 0.38 4.76 -0.74 -4.63 118.16 118.47 1a5j n LYS 105 Ca 0.25 -2.46 -0.13 0.00 -2.87 0.00 0.00 58.31 53.10 1a5j n LYS 105 Cb 0.95 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.69 1a5j n LYS 105 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 1a5j h ARG 106 N 4.45 0.50 -3.53 1.97 -0.00 -1.90 -3.34 114.38 112.53 1a5j h ARG 106 Ca 0.02 -0.46 -0.73 0.00 -0.00 0.00 0.00 59.98 58.81 1a5j h ARG 106 Cb 0.98 0.11 -0.09 0.00 -0.00 0.00 0.00 29.97 30.98 1a5j h ARG 106 CO 0.31 1.10 2.67 1.17 -0.00 0.00 0.00 179.97 185.22 1a5j n LYS 107 N -3.82 3.45 0.00 0.08 4.81 -1.26 -3.79 118.16 117.63 1a5j n LYS 107 Ca -0.06 -3.04 0.00 0.00 -0.87 0.00 0.00 58.31 54.34 1a5j n LYS 107 Cb 0.77 -3.01 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1a5j n LYS 107 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1a5j n VAL 108 N 3.83 0.00 -2.97 3.15 3.14 -1.25 -5.03 118.33 119.20 1a5j n VAL 108 Ca 0.51 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.77 1a5j n VAL 108 Cb 0.35 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 32.83 1a5j n VAL 108 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a5j n ASP 109 N -2.28 -2.37 0.00 6.55 2.03 -1.25 -5.24 116.55 113.99 1a5j n ASP 109 Ca 0.00 -2.77 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1a5j n ASP 109 Cb 0.00 0.96 0.00 0.00 -0.72 0.00 0.00 41.12 41.36 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35