#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 -1.81 -0.61 -0.61 5.41 -1.26 -4.97 119.36 115.52 1a5j n ILE 2 Ca 0.00 1.03 0.00 0.00 1.00 0.00 0.00 62.75 64.78 1a5j n ILE 2 Cb 0.00 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 1a5j n ILE 2 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1a5j n PRO 3 N -2.85 -0.22 -2.12 0.38 -0.04 -1.26 -4.92 135.00 123.97 1a5j n PRO 3 Ca -0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 1a5j n PRO 3 Cb 0.43 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.87 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 6.22 -0.01 3.54 2.15 -1.26 -4.30 116.67 121.75 1a5j s ASP 4 Ca 0.00 1.39 -0.01 0.00 0.43 0.00 0.00 52.55 54.36 1a5j s ASP 4 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1a5j s ASP 4 CO 0.00 -1.43 0.02 0.18 -0.17 0.00 0.00 175.17 173.77 1a5j n LEU 5 N 9.08 -3.41 0.00 -1.34 4.32 -1.26 -4.62 117.00 119.77 1a5j n LEU 5 Ca 0.20 1.11 0.00 0.00 -0.02 0.00 0.00 56.01 57.30 1a5j n LEU 5 Cb 0.46 -1.69 0.00 0.00 -1.62 0.00 0.00 43.42 40.58 1a5j n LEU 5 CO 0.67 -2.50 0.00 0.52 -1.22 0.00 0.00 177.39 174.85 1a5j n VAL 6 N 2.31 0.00 -0.01 4.08 0.31 -1.26 -4.29 118.33 119.47 1a5j n VAL 6 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1a5j n VAL 6 Cb 0.04 -0.42 0.02 0.00 -0.91 0.00 0.00 33.84 32.56 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 0.00 1.18 -2.31 5.55 4.01 -1.26 -4.65 118.16 120.69 1a5j n LYS 7 Ca 0.00 -0.39 -0.03 0.00 -0.51 0.00 0.00 58.31 57.39 1a5j n LYS 7 Cb 0.00 -1.15 0.01 0.00 -0.51 0.00 0.00 35.03 33.38 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 0.80 0.42 3.61 0.72 0.00 -1.26 -4.98 105.19 104.51 1a5j n GLY 8 Ca 0.08 -0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 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 -4.42 3.68 0.04 1.61 0.04 -1.26 -4.80 135.00 129.89 1a5j s PRO 9 Ca 0.02 1.06 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 1a5j s PRO 9 Cb -0.01 -3.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.54 1a5j s PRO 9 CO 0.10 -1.43 -0.04 0.91 0.04 0.00 0.00 177.00 176.59 1a5j n TRP 10 N 8.46 0.00 -0.64 0.56 7.02 -1.26 -4.83 117.44 126.76 1a5j n TRP 10 Ca 0.16 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.73 1a5j n TRP 10 Cb 0.47 -0.05 -0.02 0.00 -2.42 0.00 0.00 31.31 29.29 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 -3.32 0.00 0.26 -0.99 -2.24 -1.26 -2.20 114.28 104.54 1a5j n THR 11 Ca -0.02 0.06 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 1a5j n THR 11 Cb 0.06 -0.28 0.68 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.60 0.00 0.14 -0.78 1.63 -2.00 -2.41 116.57 112.55 1a5j h LYS 12 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1a5j h LYS 12 Cb 0.59 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1a5j h LYS 12 CO 0.01 0.00 -0.07 1.49 -3.45 0.00 0.00 179.45 177.43 1a5j h GLU 13 N 0.00 -0.19 -0.61 1.90 4.81 -1.99 0.90 114.58 119.41 1a5j h GLU 13 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.35 1a5j h GLU 13 Cb 0.14 0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.49 1a5j h GLU 13 CO 0.00 0.18 0.20 0.93 -0.73 0.00 0.00 179.01 179.58 1a5j h GLU 14 N -0.58 0.35 0.10 1.92 3.07 -0.94 0.17 114.58 118.66 1a5j h GLU 14 Ca -0.02 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1a5j h GLU 14 Cb 0.45 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1a5j h GLU 14 CO 0.03 0.23 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.38 1a5j h ASP 15 N 0.36 -0.11 -1.58 1.42 5.19 -1.52 -2.55 116.42 117.62 1a5j h ASP 15 Ca 0.31 0.00 0.46 0.00 -0.62 0.00 0.00 57.03 57.19 1a5j h ASP 15 Cb 0.42 0.03 -0.06 0.00 0.18 0.00 0.00 39.33 39.90 1a5j h ASP 15 CO -0.34 -0.07 1.26 0.00 -3.12 0.00 0.00 179.24 176.97 1a5j n GLN 16 N -2.43 0.00 0.00 3.56 10.64 0.31 0.16 117.38 129.61 1a5j n GLN 16 Ca -0.02 0.97 0.00 0.00 -1.83 0.00 0.00 57.00 56.13 1a5j n GLN 16 Cb 0.05 -2.29 0.00 0.00 -0.86 0.00 0.00 30.24 27.14 1a5j n GLN 16 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1a5j n LYS 17 N -3.57 0.00 -0.44 2.61 5.02 0.03 -0.46 118.16 121.36 1a5j n LYS 17 Ca 0.36 0.00 0.36 0.00 -2.02 0.00 0.00 58.31 57.01 1a5j n LYS 17 Cb 1.73 -0.66 0.64 0.00 -0.02 0.00 0.00 35.03 36.72 1a5j n LYS 17 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5j h VAL 18 N 0.00 0.12 0.00 -0.18 2.07 -0.85 0.92 116.25 118.33 1a5j h VAL 18 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1a5j h VAL 18 Cb 0.00 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1a5j h VAL 18 CO 0.00 0.02 0.00 -0.38 0.02 0.00 0.00 177.57 177.23 1a5j n ILE 19 N -4.73 0.00 -0.30 4.57 -0.00 0.12 0.09 119.36 119.11 1a5j n ILE 19 Ca 0.37 0.85 0.13 0.00 -0.00 0.00 0.00 62.75 64.10 1a5j n ILE 19 Cb 1.41 -1.72 0.29 0.00 -0.00 0.00 0.00 39.64 39.63 1a5j n ILE 19 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1a5j h GLU 20 N 0.00 0.14 0.16 0.38 5.08 0.06 0.11 114.58 120.50 1a5j h GLU 20 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1a5j h GLU 20 Cb 0.00 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1a5j h GLU 20 CO 0.00 0.10 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.85 1a5j h LEU 21 N 0.15 -0.50 -1.43 1.33 3.38 0.80 0.12 115.31 119.15 1a5j h LEU 21 Ca 0.56 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.64 1a5j h LEU 21 Cb 1.15 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1a5j h LEU 21 CO -0.71 -0.23 0.61 0.58 0.09 0.00 0.00 178.44 178.78 1a5j h VAL 22 N -0.34 0.08 -0.10 1.22 2.07 0.11 2.59 116.25 121.88 1a5j h VAL 22 Ca -0.02 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.28 1a5j h VAL 22 Cb 0.30 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1a5j h VAL 22 CO -0.03 0.00 -0.82 0.07 0.02 0.00 0.00 177.57 176.81 1a5j h LYS 23 N 0.00 0.66 -0.02 1.57 5.09 0.16 1.18 116.57 125.20 1a5j h LYS 23 Ca 0.10 -0.57 0.00 0.00 0.09 0.00 0.00 60.65 60.27 1a5j h LYS 23 Cb 1.33 0.13 0.00 0.00 0.10 0.00 0.00 32.23 33.78 1a5j h LYS 23 CO -0.00 1.18 -0.19 1.17 -2.09 0.00 0.00 179.45 179.52 1a5j n LYS 24 N -3.88 1.77 -0.05 0.07 0.00 0.58 -4.52 118.16 112.13 1a5j n LYS 24 Ca -0.07 -1.46 -0.11 0.00 0.00 0.00 0.00 58.31 56.67 1a5j n LYS 24 Cb 0.76 -1.43 -0.04 0.00 0.00 0.00 0.00 35.03 34.33 1a5j n LYS 24 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1a5j n TYR 25 N 0.70 0.00 0.00 5.64 4.02 0.74 -5.06 117.16 123.20 1a5j n TYR 25 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1a5j n TYR 25 Cb 0.51 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 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 2.26 1.20 1.39 2.72 0.00 0.40 -4.48 105.19 108.68 1a5j n GLY 26 Ca -0.19 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.22 2.61 -2.24 -1.26 -4.78 114.28 108.82 1a5j n THR 27 Ca 0.00 -0.10 0.02 0.00 -2.27 0.00 0.00 64.05 61.70 1a5j n THR 27 Cb 0.00 0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1a5j n THR 27 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1a5j n LYS 28 N -0.16 5.10 -3.10 -0.78 -0.00 -1.26 -4.71 118.16 113.24 1a5j n LYS 28 Ca -0.03 -0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 58.04 1a5j n LYS 28 Cb 0.49 -0.75 -0.05 0.00 -0.00 0.00 0.00 35.03 34.72 1a5j n LYS 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a5j n GLN 29 N -1.15 2.27 0.30 -1.58 6.02 -1.26 -4.85 117.38 117.12 1a5j n GLN 29 Ca 0.01 -4.27 0.18 0.00 -0.01 0.00 0.00 57.00 52.91 1a5j n GLN 29 Cb 0.08 -2.00 0.94 0.00 1.02 0.00 0.00 30.24 30.28 1a5j n GLN 29 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1a5j h TRP 30 N 3.24 0.00 -0.98 1.08 4.06 -1.98 -0.21 115.95 121.16 1a5j h TRP 30 Ca 0.13 0.00 0.13 0.00 2.06 0.00 0.00 58.89 61.21 1a5j h TRP 30 Cb 0.69 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.77 1a5j h TRP 30 CO 0.67 0.00 0.62 0.00 -3.56 0.00 0.00 178.44 176.17 1a5j h THR 31 N 0.00 0.88 -0.31 1.49 1.03 -1.95 -0.53 112.91 113.53 1a5j h THR 31 Ca 0.00 -0.31 0.06 0.00 -0.01 0.00 0.00 66.41 66.15 1a5j h THR 31 Cb 0.23 -0.10 -0.06 0.00 -1.07 0.00 0.00 68.15 67.15 1a5j h THR 31 CO 0.00 0.17 -0.06 0.17 -0.01 0.00 0.00 175.52 175.79 1a5j h LEU 32 N 0.91 -0.25 -0.69 0.00 8.10 -1.43 1.85 115.31 123.80 1a5j h LEU 32 Ca 0.49 0.09 0.03 0.00 0.11 0.00 0.00 57.88 58.60 1a5j h LEU 32 Cb 0.57 0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 40.92 1a5j h LEU 32 CO -0.26 -0.08 0.43 0.40 -4.11 0.00 0.00 178.44 174.82 1a5j h ILE 33 N 0.02 1.09 -0.17 0.15 5.03 -1.29 2.33 117.51 124.66 1a5j h ILE 33 Ca 0.15 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.60 1a5j h ILE 33 Cb 0.22 0.18 0.00 0.00 -3.03 0.00 0.00 36.82 34.19 1a5j h ILE 33 CO -0.30 0.15 0.00 0.00 -0.68 0.00 0.00 178.15 177.32 1a5j n ALA 34 N -2.31 2.50 -0.05 1.87 0.00 -0.31 -1.30 120.51 120.91 1a5j n ALA 34 Ca 0.07 -0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.07 1a5j n ALA 34 Cb 0.09 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 0.03 0.22 0.08 0.00 4.81 0.61 -4.52 118.16 119.40 1a5j n LYS 35 Ca 0.10 0.06 -0.01 0.00 -0.87 0.00 0.00 58.31 57.59 1a5j n LYS 35 Cb 0.20 -1.11 -0.05 0.00 0.02 0.00 0.00 35.03 34.09 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 -0.07 0.00 -2.32 5.64 3.86 0.36 -3.34 115.15 119.28 1a5j h HIS 36 Ca -0.21 0.00 -0.75 0.00 -1.16 0.00 0.00 60.37 58.25 1a5j h HIS 36 Cb 1.29 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 29.45 1a5j h HIS 36 CO 0.00 0.68 0.56 1.28 0.86 0.00 0.00 177.93 181.32 1a5j n LEU 37 N -3.16 6.48 0.00 2.43 4.77 -0.42 -4.92 117.00 122.17 1a5j n LEU 37 Ca -0.03 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.51 1a5j n LEU 37 Cb 0.84 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1a5j n LEU 37 CO 0.43 2.09 0.00 1.17 -1.33 0.00 0.00 177.39 179.75 1a5j n LYS 38 N 0.06 0.82 0.00 3.23 3.00 -1.26 -4.25 118.16 119.77 1a5j n LYS 38 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 1a5j n LYS 38 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.33 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 0.00 1.03 0.10 3.14 0.00 -1.26 -4.66 105.19 103.53 1a5j n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.91 0.00 -2.34 1.61 0.00 -1.26 -4.91 116.66 107.84 1a5j n ARG 40 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 1a5j n ARG 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -0.20 -3.53 -2.34 6.15 7.99 -1.26 -3.83 117.00 119.98 1a5j n LEU 41 Ca 0.00 0.72 -0.14 0.00 -0.01 0.00 0.00 56.01 56.58 1a5j n LEU 41 Cb 0.00 -1.17 -0.11 0.00 -0.11 0.00 0.00 43.42 42.03 1a5j n LEU 41 CO 0.00 -2.12 1.10 0.61 -1.51 0.00 0.00 177.39 175.48 1a5j n GLY 42 N 2.15 -0.26 3.19 -0.72 0.00 -1.26 -4.50 105.19 103.79 1a5j n GLY 42 Ca 0.00 0.16 -0.54 0.00 0.00 0.00 0.00 46.02 45.63 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 3.27 0.00 -2.05 1.61 0.00 -1.25 -2.25 118.16 117.49 1a5j n LYS 43 Ca 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 58.31 58.64 1a5j n LYS 43 Cb 0.06 -1.45 0.00 0.00 0.00 0.00 0.00 35.03 33.64 1a5j n LYS 43 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1a5j n GLN 44 N 7.44 -1.14 -3.62 1.64 6.02 -1.26 -5.01 117.38 121.45 1a5j n GLN 44 Ca 0.55 1.27 -0.38 0.00 -0.01 0.00 0.00 57.00 58.43 1a5j n GLN 44 Cb -0.02 -3.14 -0.11 0.00 1.02 0.00 0.00 30.24 27.98 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 5.00 -1.30 0.00 0.00 1.74 -1.26 -5.05 116.66 115.79 1a5j n ARG 46 Ca -0.14 1.38 0.00 0.00 -0.77 0.00 0.00 57.85 58.32 1a5j n ARG 46 Cb 0.52 -3.60 0.00 0.00 -1.02 0.00 0.00 32.46 28.36 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 -0.30 0.00 0.25 5.56 2.13 -1.26 -4.57 120.64 122.44 1a5j n GLU 47 Ca 0.05 0.00 0.14 0.00 0.66 0.00 0.00 57.16 58.02 1a5j n GLU 47 Cb 0.20 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.31 1a5j n GLU 47 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1a5j h ARG 48 N 0.00 0.00 -0.29 5.31 9.65 -1.96 -2.50 114.38 124.59 1a5j h ARG 48 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1a5j h ARG 48 Cb 0.00 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1a5j h ARG 48 CO 0.00 0.01 0.00 0.91 2.80 0.00 0.00 179.97 183.69 1a5j n TRP 49 N -3.10 1.03 0.00 2.20 8.01 -1.26 -3.81 117.44 120.51 1a5j n TRP 49 Ca 0.02 -0.91 0.00 0.00 -1.31 0.00 0.00 57.50 55.31 1a5j n TRP 49 Cb 0.43 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.39 1a5j n TRP 49 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 1a5j n HIS 50 N -0.48 0.00 -0.10 -5.99 -0.00 -1.01 -4.82 115.22 102.82 1a5j n HIS 50 Ca 0.22 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.38 1a5j n HIS 50 Cb 0.92 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.77 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 0.00 -0.25 -0.32 0.26 3.02 -1.23 0.19 115.26 116.93 1a5j n ASN 51 Ca 0.00 0.87 0.03 0.00 -0.03 0.00 0.00 54.58 55.45 1a5j n ASN 51 Cb 0.00 -0.28 0.09 0.00 -0.61 0.00 0.00 39.78 38.98 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 -3.43 0.22 -2.70 3.10 -0.00 -0.98 -1.88 115.22 109.55 1a5j n HIS 52 Ca 0.00 1.08 -0.43 0.00 -0.00 0.00 0.00 57.72 58.37 1a5j n HIS 52 Cb 0.06 -0.95 0.00 0.00 -0.00 0.00 0.00 29.99 29.10 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 -5.39 5.13 -3.56 0.27 0.00 0.50 -4.84 117.00 109.11 1a5j n LEU 53 Ca 0.12 -4.16 -0.29 0.00 0.00 0.00 0.00 56.01 51.69 1a5j n LEU 53 Cb 0.41 -1.69 -0.14 0.00 0.00 0.00 0.00 43.42 42.00 1a5j n LEU 53 CO -0.11 0.43 -0.32 0.21 0.00 0.00 0.00 177.39 177.60 1a5j s ASN 54 N 3.57 3.46 0.00 1.96 2.47 -0.79 -4.58 114.94 121.03 1a5j s ASN 54 Ca 0.49 -1.67 0.22 0.00 0.42 0.00 0.00 52.86 52.33 1a5j s ASN 54 Cb 0.02 -0.48 0.99 0.00 -1.45 0.00 0.00 41.25 40.33 1a5j s ASN 54 CO 0.04 -0.39 1.71 -0.81 -3.72 0.00 0.00 177.10 173.93 1a5j n PRO 55 N 4.76 0.09 -1.32 0.43 -0.04 -1.26 -5.01 135.00 132.66 1a5j n PRO 55 Ca 0.00 0.11 0.15 0.00 -0.04 0.00 0.00 63.50 63.72 1a5j n PRO 55 Cb 0.40 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.44 -2.85 0.00 0.54 2.13 -1.26 -4.85 120.64 112.92 1a5j n GLU 56 Ca 0.07 2.34 0.00 0.00 0.66 0.00 0.00 57.16 60.23 1a5j n GLU 56 Cb 0.23 -3.42 0.00 0.00 0.27 0.00 0.00 31.44 28.53 1a5j n GLU 56 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1a5j n VAL 57 N -4.17 0.00 -3.07 6.31 0.31 -1.26 -4.95 118.33 111.50 1a5j n VAL 57 Ca -0.08 0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.58 1a5j n VAL 57 Cb 0.59 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 -1.31 0.00 -0.15 5.55 4.81 -1.26 -4.24 118.16 121.56 1a5j n LYS 58 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1a5j n LYS 58 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 1a5j n LYS 58 CO 0.00 0.00 0.00 1.57 1.17 0.00 0.00 177.40 180.14 1a5j h LYS 59 N 0.00 0.72 0.00 1.64 5.09 -1.97 -3.44 116.57 118.60 1a5j h LYS 59 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 60.65 60.56 1a5j h LYS 59 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 32.24 1a5j h LYS 59 CO 0.00 0.72 0.00 -1.13 -2.09 0.00 0.00 179.45 176.95 1a5j n SER 60 N -4.50 0.00 0.00 7.07 3.41 -1.26 -4.93 113.62 113.40 1a5j n SER 60 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a5j n SER 60 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1a5j n SER 60 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a5j n SER 61 N 0.00 0.00 -4.06 4.04 7.64 -1.26 -4.58 113.62 115.40 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 0.27 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 0.56 0.00 1.43 0.52 -1.26 -5.04 118.94 115.15 1a5j s TRP 62 Ca 0.00 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.01 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 -4.32 0.00 0.25 0.02 0.00 0.00 176.95 172.90 1a5j n THR 63 N -5.20 0.00 0.00 2.01 -2.24 -1.26 -4.73 114.28 102.86 1a5j n THR 63 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 1a5j n THR 63 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.02 120.64 115.67 1a5j n GLU 64 Ca 0.00 0.12 0.22 0.00 -0.42 0.00 0.00 57.16 57.07 1a5j n GLU 64 Cb 0.00 -0.74 0.43 0.00 -0.57 0.00 0.00 31.44 30.56 1a5j n GLU 64 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1a5j h GLU 65 N 0.00 0.22 -0.78 3.49 5.08 -1.99 1.45 114.58 122.06 1a5j h GLU 65 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1a5j h GLU 65 Cb 0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1a5j h GLU 65 CO 0.00 0.15 0.46 0.93 -1.00 0.00 0.00 179.01 179.55 1a5j h GLU 66 N 0.23 1.05 0.13 2.33 5.08 -1.98 0.24 114.58 121.66 1a5j h GLU 66 Ca 0.70 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.96 1a5j h GLU 66 Cb 1.58 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.60 1a5j h GLU 66 CO -0.66 0.74 -0.11 0.22 -1.00 0.00 0.00 179.01 178.19 1a5j h ASP 67 N 1.07 -0.30 0.78 1.42 1.82 0.26 -1.44 116.42 120.02 1a5j h ASP 67 Ca 0.28 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.91 1a5j h ASP 67 Cb -0.04 0.10 0.01 0.00 0.68 0.00 0.00 39.33 40.08 1a5j h ASP 67 CO -0.05 -0.18 -0.37 0.03 -1.61 0.00 0.00 179.24 177.06 1a5j h ARG 68 N -0.26 -1.00 -0.81 0.28 3.08 -0.96 -2.46 114.38 112.24 1a5j h ARG 68 Ca 0.00 0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.25 1a5j h ARG 68 Cb 0.24 0.23 -0.13 0.00 0.08 0.00 0.00 29.97 30.39 1a5j h ARG 68 CO -0.02 -0.66 -0.31 -0.89 -1.07 0.00 0.00 179.97 177.02 1a5j n ILE 69 N -5.48 -0.42 0.03 2.04 5.41 0.82 0.11 119.36 121.87 1a5j n ILE 69 Ca -0.14 1.90 -0.03 0.00 1.00 0.00 0.00 62.75 65.48 1a5j n ILE 69 Cb 0.42 -2.51 -0.02 0.00 -0.71 0.00 0.00 39.64 36.82 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 -0.47 1.39 1.08 -1.18 0.63 117.51 118.96 1a5j h ILE 70 Ca 0.29 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.89 1a5j h ILE 70 Cb 0.49 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.22 1a5j h ILE 70 CO -0.81 0.00 0.68 0.15 -0.69 0.00 0.00 178.15 177.48 1a5j h PHE 71 N -0.16 0.00 0.00 1.37 3.04 -0.20 0.67 116.94 121.66 1a5j h PHE 71 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1a5j h PHE 71 Cb 0.15 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.66 1a5j h PHE 71 CO -0.23 0.00 0.00 0.39 -2.02 0.00 0.00 178.31 176.45 1a5j n GLU 72 N -3.35 0.00 -0.17 1.11 -0.58 0.31 -3.03 120.64 114.94 1a5j n GLU 72 Ca 0.09 0.41 0.28 0.00 -0.42 0.00 0.00 57.16 57.53 1a5j n GLU 72 Cb 0.85 -0.96 0.58 0.00 -0.57 0.00 0.00 31.44 31.34 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a5j h ALA 73 N -2.00 2.79 0.20 0.62 0.00 0.74 0.96 119.26 122.56 1a5j h ALA 73 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a5j h ALA 73 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1a5j h ALA 73 CO 0.00 -1.46 -0.09 1.25 0.00 0.00 0.00 179.25 178.95 1a5j h HIS 74 N 0.00 -0.24 0.00 0.00 -0.00 -0.96 0.27 115.15 114.21 1a5j h HIS 74 Ca 0.44 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.80 1a5j h HIS 74 Cb 2.40 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 29.89 1a5j h HIS 74 CO 0.00 0.02 0.00 0.36 -0.00 0.00 0.00 177.93 178.31 1a5j n LYS 75 N -5.11 0.90 -0.01 5.26 2.85 0.31 0.34 118.16 122.72 1a5j n LYS 75 Ca -0.09 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.25 1a5j n LYS 75 Cb 0.20 -1.43 -0.12 0.00 -0.65 0.00 0.00 35.03 33.04 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 -0.93 0.00 0.00 0.58 0.31 -0.11 -4.86 118.33 113.33 1a5j n VAL 76 Ca 0.18 -0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1a5j n VAL 76 Cb 0.08 0.43 0.00 0.00 -0.91 0.00 0.00 33.84 33.44 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 -1.85 0.00 0.00 7.52 4.77 0.86 -5.03 117.00 123.28 1a5j n LEU 77 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1a5j n LEU 77 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1a5j n LEU 77 CO 0.35 -0.43 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1a5j n GLY 78 N 2.17 2.40 2.16 -0.72 0.00 0.15 -4.85 105.19 106.51 1a5j n GLY 78 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.79 -2.39 1.61 0.23 -1.26 -4.67 115.26 107.99 1a5j n ASN 79 Ca 0.00 0.40 -0.18 0.00 -0.53 0.00 0.00 54.58 54.26 1a5j n ASN 79 Cb 0.00 -0.87 -0.12 0.00 -2.08 0.00 0.00 39.78 36.70 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 -2.14 2.33 -0.32 -3.83 3.00 -1.26 -4.52 116.66 109.92 1a5j n ARG 80 Ca 0.00 -1.27 0.15 0.00 -0.01 0.00 0.00 57.85 56.72 1a5j n ARG 80 Cb 0.40 -2.19 0.39 0.00 0.00 0.00 0.00 32.46 31.05 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 3.77 0.88 0.00 -1.55 4.06 -1.90 2.28 115.95 123.50 1a5j h TRP 81 Ca 0.36 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.34 1a5j h TRP 81 Cb 1.09 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1a5j h TRP 81 CO 1.79 0.22 0.01 0.00 -3.56 0.00 0.00 178.44 176.90 1a5j h ALA 82 N 1.62 1.01 0.00 1.49 0.00 -1.88 -1.72 119.26 119.79 1a5j h ALA 82 Ca 0.54 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.24 1a5j h ALA 82 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1a5j h ALA 82 CO -0.30 -0.01 -1.76 0.39 0.00 0.00 0.00 179.25 177.57 1a5j n GLU 83 N -2.71 0.76 -0.23 0.00 -0.58 0.65 -4.05 120.64 114.49 1a5j n GLU 83 Ca -0.02 0.06 0.03 0.00 -0.42 0.00 0.00 57.16 56.81 1a5j n GLU 83 Cb 0.07 -1.27 0.14 0.00 -0.57 0.00 0.00 31.44 29.81 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 0.56 0.15 -3.67 1.08 0.28 0.78 117.51 116.68 1a5j h ILE 84 Ca -0.30 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1a5j h ILE 84 Cb 1.51 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1a5j h ILE 84 CO -0.03 0.05 -0.07 0.00 -0.69 0.00 0.00 178.15 177.40 1a5j h ALA 85 N 1.56 -0.20 -0.96 1.87 0.00 -1.57 -2.58 119.26 117.38 1a5j h ALA 85 Ca 0.37 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 55.35 1a5j h ALA 85 Cb 0.59 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1a5j h ALA 85 CO -0.47 -0.39 0.95 0.87 0.00 0.00 0.00 179.25 180.21 1a5j h LYS 86 N -0.63 0.00 0.06 0.00 1.57 -1.42 1.46 116.57 117.60 1a5j h LYS 86 Ca -0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 1a5j h LYS 86 Cb 0.48 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.80 1a5j h LYS 86 CO 0.03 0.00 -0.58 -0.07 -0.57 0.00 0.00 179.45 178.26 1a5j h LEU 87 N 0.00 0.42 -8.86 2.94 3.38 -0.53 -3.43 115.31 109.23 1a5j h LEU 87 Ca 0.45 -0.86 -0.64 0.00 0.09 0.00 0.00 57.88 56.93 1a5j h LEU 87 Cb 2.35 -0.13 -0.15 0.00 0.09 0.00 0.00 40.66 42.82 1a5j h LEU 87 CO -0.00 1.23 -0.15 -0.76 0.09 0.00 0.00 178.44 178.85 1a5j s LEU 88 N -8.18 4.19 -0.90 1.67 2.01 0.50 -5.00 118.68 112.98 1a5j s LEU 88 Ca -0.14 0.15 -0.24 0.00 0.01 0.00 0.00 54.13 53.91 1a5j s LEU 88 Cb 0.02 -2.50 0.00 0.00 0.01 0.00 0.00 46.19 43.72 1a5j s LEU 88 CO 0.80 -0.31 1.66 -2.16 1.01 0.00 0.00 176.35 177.35 1a5j s PRO 89 N 2.20 3.04 0.00 1.29 0.04 -1.26 -3.81 135.00 136.50 1a5j s PRO 89 Ca 0.17 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.70 1a5j s PRO 89 Cb -0.16 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1a5j s PRO 89 CO 0.11 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1a5j n GLY 90 N 6.56 -0.01 0.00 0.56 0.00 -1.26 -5.17 105.19 105.87 1a5j n GLY 90 Ca 0.31 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -2.13 1.61 3.00 -1.25 -5.14 116.66 112.75 1a5j n ARG 91 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.79 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 -0.39 0.00 0.05 5.15 -2.24 -1.26 -4.52 114.28 111.06 1a5j n THR 92 Ca 0.00 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 1a5j n THR 92 Cb 0.00 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 67.82 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 0.17 0.80 0.18 3.42 2.03 -1.92 -2.67 116.42 118.43 1a5j h ASP 93 Ca -0.08 -0.78 -0.00 0.00 -0.73 0.00 0.00 57.03 55.44 1a5j h ASP 93 Cb 0.28 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1a5j h ASP 93 CO 0.13 1.49 -0.00 -1.13 -1.03 0.00 0.00 179.24 178.69 1a5j h ASN 94 N 0.21 0.00 0.01 4.15 -1.24 -1.97 0.32 115.58 117.06 1a5j h ASN 94 Ca -0.14 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 56.87 1a5j h ASN 94 Cb 1.68 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.73 1a5j h ASN 94 CO 0.19 0.00 -0.00 0.00 -1.29 0.00 0.00 177.43 176.34 1a5j h ALA 95 N 2.00 -0.01 0.48 1.57 0.00 -1.93 -2.99 119.26 118.37 1a5j h ALA 95 Ca -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1a5j h ALA 95 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a5j h ALA 95 CO 0.00 -0.01 -0.51 0.28 0.00 0.00 0.00 179.25 179.00 1a5j h VAL 96 N -0.43 0.00 -0.99 0.00 2.07 -1.30 0.72 116.25 116.32 1a5j h VAL 96 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1a5j h VAL 96 Cb 0.01 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.61 1a5j h VAL 96 CO 0.00 0.00 -0.37 1.17 0.02 0.00 0.00 177.57 178.39 1a5j n LYS 97 N -5.55 -0.22 -0.02 1.57 4.81 0.11 0.92 118.16 119.78 1a5j n LYS 97 Ca -0.12 1.53 -0.11 0.00 -0.87 0.00 0.00 58.31 58.74 1a5j n LYS 97 Cb 0.46 -2.27 -0.05 0.00 0.02 0.00 0.00 35.03 33.20 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 0.17 -0.51 3.14 -0.73 -1.26 -1.10 115.58 115.29 1a5j h ASN 98 Ca 0.36 -0.08 0.15 0.00 1.87 0.00 0.00 56.30 58.60 1a5j h ASN 98 Cb 0.60 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.13 1a5j h ASN 98 CO -0.99 0.20 0.48 -0.74 -0.37 0.00 0.00 177.43 176.01 1a5j h HIS 99 N 0.13 0.00 0.01 0.67 2.76 0.70 1.42 115.15 120.84 1a5j h HIS 99 Ca 0.05 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1a5j h HIS 99 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1a5j h HIS 99 CO -0.04 0.00 -0.01 2.35 -1.30 0.00 0.00 177.93 178.93 1a5j h TRP 100 N 0.00 -0.02 -0.07 5.26 -0.00 0.15 -2.34 115.95 118.94 1a5j h TRP 100 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.13 1a5j h TRP 100 Cb 1.20 0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.36 1a5j h TRP 100 CO 0.00 0.26 0.00 0.09 -0.00 0.00 0.00 178.44 178.79 1a5j n ASN 101 N -4.97 1.21 0.00 2.65 3.02 0.99 -1.36 115.26 116.81 1a5j n ASN 101 Ca -0.08 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.96 1a5j n ASN 101 Cb 0.16 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 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 -0.02 0.00 0.00 6.41 2.88 0.45 -4.78 113.62 118.56 1a5j n SER 102 Ca 0.18 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1a5j n SER 102 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 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 -0.50 0.00 -1.37 2.46 -1.04 -1.13 -4.69 114.28 108.01 1a5j n THR 103 Ca 0.00 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.05 61.33 1a5j n THR 103 Cb 0.00 1.06 0.08 0.00 -1.82 0.00 0.00 70.33 69.65 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 -0.54 3.61 -2.23 12.58 5.41 -1.09 -4.38 119.36 132.74 1a5j n ILE 104 Ca 0.00 -3.02 -0.17 0.00 1.00 0.00 0.00 62.75 60.56 1a5j n ILE 104 Cb 0.02 -1.16 0.03 0.00 -0.71 0.00 0.00 39.64 37.81 1a5j n ILE 104 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1a5j n LYS 105 N -0.90 3.05 -0.07 0.38 -0.00 -0.46 -4.62 118.16 115.53 1a5j n LYS 105 Ca 0.62 -3.96 -0.06 0.00 -0.00 0.00 0.00 58.31 54.91 1a5j n LYS 105 Cb 0.65 -2.07 -0.02 0.00 -0.00 0.00 0.00 35.03 33.59 1a5j n LYS 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1a5j n ARG 106 N -0.68 0.45 -1.78 -1.58 1.74 -1.26 -4.74 116.66 108.81 1a5j n ARG 106 Ca 0.33 0.34 -0.19 0.00 -0.77 0.00 0.00 57.85 57.56 1a5j n ARG 106 Cb 0.92 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.82 1a5j n ARG 106 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1a5j s LYS 107 N -2.46 1.99 0.00 5.56 2.20 -1.26 -3.68 119.74 122.09 1a5j s LYS 107 Ca -0.20 0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.45 1a5j s LYS 107 Cb 0.03 -4.93 0.00 0.00 -1.51 0.00 0.00 37.83 31.42 1a5j s LYS 107 CO 0.30 -4.08 0.00 0.28 -0.36 0.00 0.00 175.35 171.49 1a5j n VAL 108 N 8.41 0.00 -2.89 4.02 0.31 -1.26 -5.03 118.33 121.89 1a5j n VAL 108 Ca 0.44 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.64 1a5j n VAL 108 Cb 0.45 -0.09 0.01 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.45 -2.08 0.00 4.52 -0.08 -1.24 -5.27 116.55 109.95 1a5j n ASP 109 Ca 0.00 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 1a5j n ASP 109 Cb 0.00 1.11 0.00 0.00 2.34 0.00 0.00 41.12 44.57 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39