#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 0.00 0.00 -0.61 -5.25 -1.26 -5.18 121.20 108.90 1a5j s ILE 2 Ca 0.00 -1.21 0.00 0.00 -0.99 0.00 0.00 60.65 58.45 1a5j s ILE 2 Cb 0.00 -2.17 0.00 0.00 2.95 0.00 0.00 42.46 43.24 1a5j s ILE 2 CO 0.00 0.00 0.00 -0.81 -1.79 0.00 0.00 174.94 172.34 1a5j n PRO 3 N -0.43 2.16 -2.58 0.37 -0.04 -1.26 -4.99 135.00 128.23 1a5j n PRO 3 Ca -0.03 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.06 1a5j n PRO 3 Cb 0.60 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.02 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 6.92 -0.08 3.54 2.15 -1.26 -4.56 116.67 122.14 1a5j s ASP 4 Ca 0.00 2.03 -0.06 0.00 0.43 0.00 0.00 52.55 54.95 1a5j s ASP 4 Cb 0.00 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1a5j s ASP 4 CO 0.00 -0.38 0.12 0.18 -0.17 0.00 0.00 175.17 174.92 1a5j n LEU 5 N 0.18 -5.81 -4.48 -1.34 4.32 -1.26 -4.81 117.00 103.80 1a5j n LEU 5 Ca 0.04 2.36 -0.43 0.00 -0.02 0.00 0.00 56.01 57.95 1a5j n LEU 5 Cb 0.49 -3.03 -0.03 0.00 -1.62 0.00 0.00 43.42 39.23 1a5j n LEU 5 CO 0.46 -3.37 1.02 -0.69 -1.22 0.00 0.00 177.39 173.59 1a5j s VAL 6 N -0.54 4.39 -1.13 4.08 1.01 -1.26 -4.16 120.40 122.79 1a5j s VAL 6 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.90 1a5j s VAL 6 Cb 0.01 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1a5j s VAL 6 CO 0.36 -1.60 0.00 1.17 0.00 0.00 0.00 175.10 175.04 1a5j n LYS 7 N 7.51 -1.30 -0.37 2.72 3.00 -1.26 -3.26 118.16 125.20 1a5j n LYS 7 Ca 0.16 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 1a5j n LYS 7 Cb 0.48 -4.82 0.00 0.00 0.00 0.00 0.00 35.03 30.70 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 -0.16 -0.13 3.61 3.14 0.00 -0.60 -4.19 105.19 106.85 1a5j n GLY 8 Ca -0.11 -0.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.60 3.65 0.35 1.61 0.04 -1.20 -4.54 135.00 134.31 1a5j s PRO 9 Ca 0.00 1.02 0.08 0.00 0.04 0.00 0.00 61.00 62.14 1a5j s PRO 9 Cb 0.00 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 1a5j s PRO 9 CO 0.00 -1.47 0.10 -1.58 0.04 0.00 0.00 177.00 174.09 1a5j s TRP 10 N 5.22 2.64 0.30 0.56 0.52 -1.26 -4.99 118.94 121.92 1a5j s TRP 10 Ca 0.61 -0.43 -0.14 0.00 0.02 0.00 0.00 56.10 56.15 1a5j s TRP 10 Cb -0.15 -1.64 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1a5j s TRP 10 CO 0.31 0.36 0.59 0.95 0.02 0.00 0.00 176.95 179.18 1a5j s THR 11 N -2.49 0.00 0.52 2.01 -4.23 -1.26 -4.97 115.64 105.22 1a5j s THR 11 Ca 0.37 -1.26 0.45 0.00 -1.18 0.00 0.00 61.69 60.06 1a5j s THR 11 Cb -0.01 -2.35 0.66 0.00 1.34 0.00 0.00 72.50 72.15 1a5j s THR 11 CO 0.21 0.00 1.56 1.17 -0.54 0.00 0.00 174.62 177.02 1a5j n LYS 12 N -0.46 -0.01 0.07 3.99 4.81 -1.26 0.20 118.16 125.51 1a5j n LYS 12 Ca -0.03 1.14 -0.13 0.00 -0.87 0.00 0.00 58.31 58.42 1a5j n LYS 12 Cb 0.61 -2.49 -0.08 0.00 0.02 0.00 0.00 35.03 33.09 1a5j n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1a5j h GLU 13 N 0.00 -0.12 0.00 1.64 4.22 -1.98 0.31 114.58 118.65 1a5j h GLU 13 Ca 0.92 0.01 0.00 0.00 0.08 0.00 0.00 59.36 60.37 1a5j h GLU 13 Cb 3.47 0.03 0.00 0.00 0.50 0.00 0.00 28.75 32.75 1a5j h GLU 13 CO -0.16 0.02 0.29 0.93 -2.18 0.00 0.00 179.01 177.91 1a5j h GLU 14 N -0.24 0.00 0.00 1.92 3.07 0.20 0.97 114.58 120.49 1a5j h GLU 14 Ca -0.01 0.00 -0.26 0.00 -0.50 0.00 0.00 59.36 58.58 1a5j h GLU 14 Cb 0.20 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.06 1a5j h GLU 14 CO 0.02 0.00 -1.78 -0.25 -1.40 0.00 0.00 179.01 175.60 1a5j n ASP 15 N -2.85 0.67 0.07 1.42 8.00 -0.61 -2.61 116.55 120.65 1a5j n ASP 15 Ca -0.02 0.31 -0.06 0.00 0.71 0.00 0.00 54.79 55.73 1a5j n ASP 15 Cb 0.34 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.65 1a5j n ASP 15 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 1a5j h GLN 16 N 0.00 0.01 0.00 -1.24 3.07 0.28 -2.16 115.11 115.06 1a5j h GLN 16 Ca -0.30 -0.01 -0.00 0.00 0.09 0.00 0.00 58.65 58.43 1a5j h GLN 16 Cb 1.91 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.48 1a5j h GLN 16 CO 0.06 0.94 -0.02 -0.22 0.09 0.00 0.00 178.83 179.68 1a5j h LYS 17 N 0.00 0.00 -0.08 0.06 3.64 -0.28 -2.75 116.57 117.16 1a5j h LYS 17 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1a5j h LYS 17 Cb 1.65 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.47 1a5j h LYS 17 CO 0.12 0.57 0.11 0.28 -2.27 0.00 0.00 179.45 178.27 1a5j h VAL 18 N -1.00 0.40 0.00 2.00 2.07 -1.62 0.17 116.25 118.27 1a5j h VAL 18 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1a5j h VAL 18 Cb 0.58 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1a5j h VAL 18 CO -0.00 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.21 1a5j n ILE 19 N -3.66 0.00 0.19 4.57 -0.00 -0.81 -0.12 119.36 119.52 1a5j n ILE 19 Ca -0.01 0.64 0.16 0.00 -0.00 0.00 0.00 62.75 63.55 1a5j n ILE 19 Cb 0.21 -1.33 0.63 0.00 -0.00 0.00 0.00 39.64 39.15 1a5j n ILE 19 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 1a5j h GLU 20 N 0.00 0.00 0.08 0.38 4.11 -1.36 0.32 114.58 118.11 1a5j h GLU 20 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1a5j h GLU 20 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a5j h GLU 20 CO 0.00 0.00 -0.04 -0.07 0.07 0.00 0.00 179.01 178.97 1a5j h LEU 21 N 0.00 -0.09 -2.12 3.06 3.38 -0.68 -2.22 115.31 116.64 1a5j h LEU 21 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1a5j h LEU 21 Cb 1.27 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1a5j h LEU 21 CO -0.00 0.31 0.18 0.58 0.09 0.00 0.00 178.44 179.59 1a5j h VAL 22 N -0.86 0.00 0.01 1.22 2.07 0.11 0.65 116.25 119.46 1a5j h VAL 22 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1a5j h VAL 22 Cb 0.09 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1a5j h VAL 22 CO 0.02 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.71 1a5j h LYS 23 N 0.00 -0.02 0.00 1.57 1.57 -0.49 1.49 116.57 120.69 1a5j h LYS 23 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a5j h LYS 23 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1a5j h LYS 23 CO 0.00 0.76 0.00 -0.22 -0.57 0.00 0.00 179.45 179.42 1a5j h LYS 24 N -0.91 0.00 0.00 3.15 3.11 -0.35 -3.26 116.57 118.31 1a5j h LYS 24 Ca -0.00 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.64 1a5j h LYS 24 Cb 0.79 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.99 1a5j h LYS 24 CO 0.00 0.00 -1.36 0.66 -2.81 0.00 0.00 179.45 175.95 1a5j n TYR 25 N -2.97 0.62 0.00 1.91 4.02 0.21 -5.08 117.16 115.87 1a5j n TYR 25 Ca 0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.90 58.17 1a5j n TYR 25 Cb 0.34 -0.92 0.00 0.00 -0.02 0.00 0.00 39.34 38.74 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 1.44 0.63 1.28 2.72 0.00 0.51 -4.88 105.19 106.89 1a5j n GLY 26 Ca -0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 2.61 -2.24 -1.25 -4.33 114.28 107.14 1a5j n THR 27 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1a5j n THR 27 Cb 0.00 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.09 0.00 -3.04 -0.78 0.00 -1.26 -4.75 118.16 108.24 1a5j n LYS 28 Ca -0.02 -0.65 -0.25 0.00 0.00 0.00 0.00 58.31 57.39 1a5j n LYS 28 Cb 0.46 -0.34 -0.04 0.00 0.00 0.00 0.00 35.03 35.10 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 0.00 2.61 0.33 1.64 6.02 -1.26 -4.85 117.38 121.87 1a5j n GLN 29 Ca 0.00 -4.47 0.17 0.00 -0.01 0.00 0.00 57.00 52.69 1a5j n GLN 29 Cb 0.62 -2.09 0.89 0.00 1.02 0.00 0.00 30.24 30.68 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 3.09 0.00 -0.38 1.08 4.06 -1.91 0.31 115.95 122.20 1a5j h TRP 30 Ca 0.13 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.12 1a5j h TRP 30 Cb 0.63 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.75 1a5j h TRP 30 CO 0.73 0.00 0.13 0.00 -3.56 0.00 0.00 178.44 175.74 1a5j h THR 31 N 0.00 0.88 0.00 1.49 1.03 -1.89 0.30 112.91 114.72 1a5j h THR 31 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.30 1a5j h THR 31 Cb 0.49 0.58 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1a5j h THR 31 CO 0.00 0.05 0.28 0.17 -0.01 0.00 0.00 175.52 176.01 1a5j h LEU 32 N 0.28 0.00 0.08 0.00 8.10 -1.33 2.35 115.31 124.79 1a5j h LEU 32 Ca 0.18 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.85 1a5j h LEU 32 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.36 1a5j h LEU 32 CO -0.19 0.00 -1.74 -0.38 -4.11 0.00 0.00 178.44 172.03 1a5j n ILE 33 N -2.85 1.70 -0.40 0.15 -0.00 0.83 -2.68 119.36 116.10 1a5j n ILE 33 Ca -0.02 -0.43 0.05 0.00 -0.00 0.00 0.00 62.75 62.35 1a5j n ILE 33 Cb 0.32 -1.85 0.30 0.00 -0.00 0.00 0.00 39.64 38.42 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 -3.16 3.53 0.00 -1.39 0.00 0.57 -3.28 120.51 116.79 1a5j n ALA 34 Ca -0.32 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1a5j n ALA 34 Cb 0.92 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 0.47 0.00 0.00 0.00 4.81 0.76 -4.65 118.16 119.55 1a5j n LYS 35 Ca 0.21 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.78 1a5j n LYS 35 Cb 0.96 -0.95 0.56 0.00 0.02 0.00 0.00 35.03 35.62 1a5j n LYS 35 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1a5j n HIS 36 N -2.40 0.00 -3.58 5.64 8.25 -1.09 -4.45 115.22 117.58 1a5j n HIS 36 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.17 1a5j n HIS 36 Cb 0.45 -0.36 -0.14 0.00 1.12 0.00 0.00 29.99 31.06 1a5j n HIS 36 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a5j s LEU 37 N -2.85 1.37 -1.19 2.41 1.43 -1.20 -5.05 118.68 113.60 1a5j s LEU 37 Ca 0.18 -1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 51.32 1a5j s LEU 37 Cb 0.19 -0.58 0.21 0.00 0.03 0.00 0.00 46.19 46.04 1a5j s LEU 37 CO 0.55 -0.37 1.45 0.29 0.23 0.00 0.00 176.35 178.50 1a5j n LYS 38 N 4.53 3.54 0.00 1.70 4.76 -1.26 -4.16 118.16 127.27 1a5j n LYS 38 Ca 0.03 -3.99 0.00 0.00 -2.87 0.00 0.00 58.31 51.48 1a5j n LYS 38 Cb 0.39 -2.87 0.00 0.00 -1.84 0.00 0.00 35.03 30.71 1a5j n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a5j n GLY 39 N 3.33 0.20 0.17 0.72 0.00 -1.26 -4.99 105.19 103.37 1a5j n GLY 39 Ca 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.48 1.19 -0.87 1.61 0.00 -1.26 -1.55 116.66 114.29 1a5j n ARG 40 Ca 0.00 -0.18 -0.10 0.00 -0.00 0.00 0.00 57.85 57.58 1a5j n ARG 40 Cb 0.00 0.08 0.06 0.00 0.00 0.00 0.00 32.46 32.61 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 -3.23 6.15 7.99 -1.26 -4.93 117.00 121.73 1a5j n LEU 41 Ca -0.00 -0.59 -0.17 0.00 -0.01 0.00 0.00 56.01 55.24 1a5j n LEU 41 Cb 0.03 -0.32 -0.06 0.00 -0.11 0.00 0.00 43.42 42.95 1a5j n LEU 41 CO 0.02 -0.79 -0.13 -0.83 -1.51 0.00 0.00 177.39 174.14 1a5j s GLY 42 N -3.84 0.03 0.00 -0.72 0.00 -1.26 -4.70 107.32 96.84 1a5j s GLY 42 Ca 0.26 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1a5j s GLY 42 CO 0.18 2.79 0.00 1.17 0.00 0.00 0.00 173.10 177.24 1a5j n LYS 43 N 3.50 0.00 -3.20 2.90 0.00 -1.26 -4.86 118.16 115.24 1a5j n LYS 43 Ca 0.19 0.00 -0.45 0.00 0.00 0.00 0.00 58.31 58.04 1a5j n LYS 43 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.51 1a5j n LYS 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1a5j s GLN 44 N -1.57 3.87 0.00 1.64 -0.21 -1.26 -4.62 119.66 117.51 1a5j s GLN 44 Ca 0.00 -2.59 0.00 0.00 0.02 0.00 0.00 55.36 52.79 1a5j s GLN 44 Cb 0.00 -4.66 0.00 0.00 1.00 0.00 0.00 33.01 29.35 1a5j s GLN 44 CO 0.00 -1.44 0.00 0.00 -2.12 0.00 0.00 175.29 171.73 1a5j s ARG 46 N 0.00 3.94 -0.19 0.00 1.70 -1.26 -4.69 118.95 118.46 1a5j s ARG 46 Ca 0.00 -1.97 -0.24 0.00 -0.47 0.00 0.00 55.73 53.05 1a5j s ARG 46 Cb 0.00 -5.42 -0.21 0.00 -0.57 0.00 0.00 34.95 28.75 1a5j s ARG 46 CO 0.00 -2.16 0.39 1.49 -1.08 0.00 0.00 175.30 173.94 1a5j h GLU 47 N 7.83 0.00 -1.83 3.89 4.81 -1.96 -2.82 114.58 124.49 1a5j h GLU 47 Ca 0.39 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.32 1a5j h GLU 47 Cb 0.89 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.16 1a5j h GLU 47 CO 1.41 1.00 0.18 2.89 -0.73 0.00 0.00 179.01 183.76 1a5j n ARG 48 N -4.48 1.86 0.00 1.92 1.85 -1.26 -2.56 116.66 113.99 1a5j n ARG 48 Ca -0.25 -1.39 0.00 0.00 -1.00 0.00 0.00 57.85 55.20 1a5j n ARG 48 Cb 0.62 -1.73 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1a5j n ARG 48 CO 0.00 0.00 0.00 1.87 -0.01 0.00 0.00 177.63 179.49 1a5j n TRP 49 N 1.12 -1.39 0.34 2.89 -0.00 -1.26 -4.87 117.44 114.26 1a5j n TRP 49 Ca 0.32 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.96 1a5j n TRP 49 Cb 0.62 0.35 0.38 0.00 -0.00 0.00 0.00 31.31 32.66 1a5j n TRP 49 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1a5j h HIS 50 N 0.00 0.00 -1.59 5.87 2.76 -1.55 -3.18 115.15 117.46 1a5j h HIS 50 Ca 0.00 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.53 1a5j h HIS 50 Cb 0.00 0.00 -0.37 0.00 1.55 0.00 0.00 27.41 28.59 1a5j h HIS 50 CO 0.00 0.00 -0.14 0.09 -1.30 0.00 0.00 177.93 176.58 1a5j n ASN 51 N -2.83 5.67 0.00 3.26 3.02 -1.06 -4.76 115.26 118.57 1a5j n ASN 51 Ca 0.03 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 1a5j n ASN 51 Cb 0.42 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1a5j n ASN 51 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a5j n HIS 52 N -0.53 0.00 0.00 3.10 8.25 -1.20 -4.93 115.22 119.91 1a5j n HIS 52 Ca 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1a5j n HIS 52 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 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 -0.43 0.00 -3.12 2.41 4.77 -1.26 -4.77 117.00 114.60 1a5j n LEU 53 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1a5j n LEU 53 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1a5j n LEU 53 CO 0.00 0.00 0.26 -3.20 -1.33 0.00 0.00 177.39 173.12 1a5j n ASN 54 N 3.10 -7.46 -3.25 -1.43 2.85 -1.26 -5.02 115.26 102.79 1a5j n ASN 54 Ca 0.00 -0.26 0.00 0.00 -0.11 0.00 0.00 54.58 54.21 1a5j n ASN 54 Cb 0.00 -5.27 0.00 0.00 1.24 0.00 0.00 39.78 35.75 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 -2.20 1.50 -2.40 1.20 -0.04 -1.26 -4.93 135.00 126.88 1a5j n PRO 55 Ca -0.02 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.01 1a5j n PRO 55 Cb 0.54 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1a5j n PRO 55 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1a5j s GLU 56 N 0.00 3.87 -0.12 0.54 2.02 -1.26 -4.86 118.70 118.89 1a5j s GLU 56 Ca 0.00 1.23 0.08 0.00 0.02 0.00 0.00 54.97 56.30 1a5j s GLU 56 Cb 0.00 -3.90 0.44 0.00 0.10 0.00 0.00 34.13 30.77 1a5j s GLU 56 CO 0.00 -1.18 1.19 0.28 0.02 0.00 0.00 175.26 175.57 1a5j n VAL 57 N 6.31 1.43 -0.68 2.63 0.31 -1.26 -5.01 118.33 122.06 1a5j n VAL 57 Ca 0.15 -0.74 0.03 0.00 -0.01 0.00 0.00 64.34 63.77 1a5j n VAL 57 Cb 0.47 -0.33 -0.01 0.00 -0.91 0.00 0.00 33.84 33.05 1a5j n VAL 57 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1a5j n LYS 58 N 0.36 -1.72 0.00 5.55 4.01 -1.26 -3.84 118.16 121.27 1a5j n LYS 58 Ca 0.15 1.36 0.00 0.00 -0.51 0.00 0.00 58.31 59.31 1a5j n LYS 58 Cb 0.73 -1.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 1a5j n LYS 58 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1a5j n LYS 59 N -2.36 0.00 -0.86 1.97 4.01 -1.26 -3.80 118.16 115.87 1a5j n LYS 59 Ca -0.01 0.40 -0.36 0.00 -0.51 0.00 0.00 58.31 57.82 1a5j n LYS 59 Cb 0.25 -1.25 -0.06 0.00 -0.51 0.00 0.00 35.03 33.46 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 -1.70 2.47 -0.11 4.39 7.64 -1.26 -4.61 113.62 120.43 1a5j n SER 60 Ca 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1a5j n SER 60 Cb 0.00 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 6.97 0.00 -3.71 6.43 7.64 -1.25 -5.16 113.62 124.54 1a5j n SER 61 Ca 0.44 -0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.91 1a5j n SER 61 Cb 0.32 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 63.79 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 -2.08 -0.02 0.00 1.43 0.52 -1.25 -4.96 118.94 112.57 1a5j s TRP 62 Ca 0.00 0.64 0.00 0.00 0.02 0.00 0.00 56.10 56.76 1a5j s TRP 62 Cb 0.00 -3.07 0.00 0.00 -1.15 0.00 0.00 33.47 29.25 1a5j s TRP 62 CO 0.00 -4.53 0.00 0.25 0.02 0.00 0.00 176.95 172.69 1a5j n THR 63 N -5.30 0.00 0.00 2.01 -2.24 -1.26 -4.43 114.28 103.06 1a5j n THR 63 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1a5j n THR 63 Cb 0.59 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -0.13 -0.78 1.02 -1.26 -2.44 120.64 117.05 1a5j n GLU 64 Ca 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.41 1a5j n GLU 64 Cb 0.00 -0.32 0.59 0.00 -0.02 0.00 0.00 31.44 31.69 1a5j n GLU 64 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1a5j h GLU 65 N 0.00 0.00 -0.13 3.49 4.11 -2.00 1.16 114.58 121.22 1a5j h GLU 65 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.32 1a5j h GLU 65 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a5j h GLU 65 CO 0.00 0.00 -0.34 0.93 0.07 0.00 0.00 179.01 179.67 1a5j h GLU 66 N 0.00 0.45 0.06 1.06 5.08 -1.98 -1.87 114.58 117.38 1a5j h GLU 66 Ca 0.41 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1a5j h GLU 66 Cb 2.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.55 1a5j h GLU 66 CO -0.00 0.93 -0.03 0.22 -1.00 0.00 0.00 179.01 179.13 1a5j h ASP 67 N 0.05 -0.07 0.22 1.42 3.58 0.17 -2.34 116.42 119.45 1a5j h ASP 67 Ca -0.01 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1a5j h ASP 67 Cb 0.95 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1a5j h ASP 67 CO 0.07 -0.03 -0.26 0.03 -2.88 0.00 0.00 179.24 176.18 1a5j h ARG 68 N -0.10 -0.47 -0.83 0.28 2.47 -1.38 -0.54 114.38 113.80 1a5j h ARG 68 Ca -0.01 0.03 0.29 0.00 -1.26 0.00 0.00 59.98 59.03 1a5j h ARG 68 Cb 0.08 0.11 -0.15 0.00 -1.65 0.00 0.00 29.97 28.35 1a5j h ARG 68 CO 0.01 -0.31 0.23 -0.89 0.56 0.00 0.00 179.97 179.57 1a5j n ILE 69 N -3.91 -0.35 0.00 2.04 5.41 -0.70 0.58 119.36 122.42 1a5j n ILE 69 Ca -0.06 1.76 0.00 0.00 1.00 0.00 0.00 62.75 65.46 1a5j n ILE 69 Cb 0.23 -2.71 0.00 0.00 -0.71 0.00 0.00 39.64 36.45 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 -5.04 0.00 -0.17 1.39 2.08 -0.68 0.40 119.36 117.33 1a5j n ILE 70 Ca 0.25 1.41 0.29 0.00 0.56 0.00 0.00 62.75 65.26 1a5j n ILE 70 Cb 0.85 -2.41 0.62 0.00 -0.75 0.00 0.00 39.64 37.96 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 0.91 0.35 116.94 122.63 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 0.21 0.00 0.00 0.39 -2.02 0.00 0.00 178.31 176.89 1a5j n GLU 72 N -3.59 0.00 -0.15 1.11 1.02 0.20 -2.89 120.64 116.33 1a5j n GLU 72 Ca 0.20 0.32 0.28 0.00 -0.02 0.00 0.00 57.16 57.94 1a5j n GLU 72 Cb 1.24 -0.85 0.57 0.00 -0.02 0.00 0.00 31.44 32.38 1a5j n GLU 72 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a5j h ALA 73 N -2.00 2.77 -0.21 0.62 0.00 0.58 1.62 119.26 122.64 1a5j h ALA 73 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1a5j h ALA 73 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1a5j h ALA 73 CO 0.00 -1.45 -0.03 1.25 0.00 0.00 0.00 179.25 179.02 1a5j h HIS 74 N 0.00 0.45 -0.06 0.00 -0.00 -0.42 0.40 115.15 115.53 1a5j h HIS 74 Ca 0.43 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1a5j h HIS 74 Cb 2.38 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 29.68 1a5j h HIS 74 CO 0.00 0.63 0.00 0.36 -0.00 0.00 0.00 177.93 178.92 1a5j n LYS 75 N -4.63 1.19 -0.00 5.26 2.85 0.54 0.21 118.16 123.58 1a5j n LYS 75 Ca -0.04 -0.29 0.03 0.00 -1.05 0.00 0.00 58.31 56.96 1a5j n LYS 75 Cb 0.27 -1.24 -0.04 0.00 -0.65 0.00 0.00 35.03 33.37 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 -0.43 0.00 0.00 0.58 0.31 -0.35 -4.79 118.33 113.65 1a5j n VAL 76 Ca 0.11 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a5j n VAL 76 Cb 0.11 0.75 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 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 -1.35 0.26 -0.22 7.52 4.77 0.14 -5.03 117.00 123.09 1a5j n LEU 77 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1a5j n LEU 77 Cb 0.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1a5j n LEU 77 CO 0.11 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1a5j n GLY 78 N 2.46 -0.42 1.57 -0.72 0.00 0.55 -4.55 105.19 104.08 1a5j n GLY 78 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.30 -2.09 1.61 6.94 -1.25 -4.69 115.26 114.49 1a5j n ASN 79 Ca 0.00 0.17 -0.10 0.00 -0.02 0.00 0.00 54.58 54.63 1a5j n ASN 79 Cb 0.00 -1.47 -0.14 0.00 -2.36 0.00 0.00 39.78 35.81 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 -1.56 1.62 -0.40 -3.83 0.63 -1.26 -4.51 116.66 107.35 1a5j n ARG 80 Ca -0.04 -0.81 0.33 0.00 -0.92 0.00 0.00 57.85 56.41 1a5j n ARG 80 Cb 0.22 -1.90 0.64 0.00 0.45 0.00 0.00 32.46 31.87 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 3.55 0.42 -0.19 -0.14 4.06 -1.88 3.55 115.95 125.33 1a5j h TRP 81 Ca 0.15 0.02 0.05 0.00 2.06 0.00 0.00 58.89 61.17 1a5j h TRP 81 Cb 1.23 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1a5j h TRP 81 CO 1.63 -0.05 0.30 0.00 -3.56 0.00 0.00 178.44 176.76 1a5j h ALA 82 N 1.52 1.71 0.00 1.49 0.00 -1.86 -1.59 119.26 120.52 1a5j h ALA 82 Ca 0.70 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.51 1a5j h ALA 82 Cb 2.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.02 1a5j h ALA 82 CO -0.26 -0.39 -1.32 0.39 0.00 0.00 0.00 179.25 177.67 1a5j n GLU 83 N -3.46 0.13 -0.49 0.00 -0.58 1.08 -4.25 120.64 113.07 1a5j n GLU 83 Ca 0.02 0.05 0.40 0.00 -0.42 0.00 0.00 57.16 57.21 1a5j n GLU 83 Cb 0.41 -0.87 0.70 0.00 -0.57 0.00 0.00 31.44 31.11 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 -0.13 0.14 0.14 -3.67 5.03 0.15 1.51 117.51 120.69 1a5j h ILE 84 Ca -0.14 -0.02 -0.20 0.00 -0.12 0.00 0.00 64.86 64.38 1a5j h ILE 84 Cb 1.16 0.07 0.02 0.00 -3.03 0.00 0.00 36.82 35.04 1a5j h ILE 84 CO -0.06 0.01 -0.86 0.00 -0.68 0.00 0.00 178.15 176.56 1a5j h ALA 85 N 1.43 -0.08 -0.38 1.87 0.00 -1.50 -3.18 119.26 117.42 1a5j h ALA 85 Ca 0.81 -0.70 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1a5j h ALA 85 Cb 2.79 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 20.67 1a5j h ALA 85 CO -0.26 0.41 0.54 0.87 0.00 0.00 0.00 179.25 180.80 1a5j h LYS 86 N -0.29 0.00 -0.05 0.00 1.57 0.19 1.34 116.57 119.33 1a5j h LYS 86 Ca -0.15 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.43 1a5j h LYS 86 Cb 1.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.97 1a5j h LYS 86 CO 0.16 0.00 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.15 1a5j h LEU 87 N 0.00 0.55 -8.43 2.94 4.07 -1.06 -3.41 115.31 109.98 1a5j h LEU 87 Ca 0.18 -0.39 -0.68 0.00 0.08 0.00 0.00 57.88 57.07 1a5j h LEU 87 Cb 1.26 -0.16 -0.25 0.00 1.08 0.00 0.00 40.66 42.58 1a5j h LEU 87 CO -0.00 1.16 -0.61 -0.76 -1.08 0.00 0.00 178.44 177.15 1a5j s LEU 88 N -7.91 3.91 -0.17 1.67 1.02 0.46 -5.06 118.68 112.60 1a5j s LEU 88 Ca -0.06 -0.67 -0.29 0.00 0.02 0.00 0.00 54.13 53.13 1a5j s LEU 88 Cb 0.10 -1.91 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 1a5j s LEU 88 CO 0.86 -0.19 1.28 -2.16 0.02 0.00 0.00 176.35 176.15 1a5j s PRO 89 N 1.52 4.20 0.00 1.29 0.04 -1.26 -2.79 135.00 138.01 1a5j s PRO 89 Ca 0.03 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1a5j s PRO 89 Cb -0.17 -3.78 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1a5j s PRO 89 CO 0.03 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1a5j n GLY 90 N 3.69 0.94 2.89 0.56 0.00 -1.26 -5.09 105.19 106.92 1a5j n GLY 90 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.31 1.05 0.37 1.61 1.81 -1.12 -5.11 118.95 117.25 1a5j s ARG 91 Ca 0.00 -0.13 -0.03 0.00 -1.72 0.00 0.00 55.73 53.85 1a5j s ARG 91 Cb 0.00 -1.10 0.08 0.00 -0.45 0.00 0.00 34.95 33.48 1a5j s ARG 91 CO 0.00 -0.15 0.51 0.25 -0.68 0.00 0.00 175.30 175.23 1a5j n THR 92 N 4.43 0.00 0.11 0.02 -2.24 -1.26 -4.36 114.28 110.98 1a5j n THR 92 Ca -0.18 -0.63 -0.03 0.00 -2.27 0.00 0.00 64.05 60.93 1a5j n THR 92 Cb 0.51 -1.36 0.14 0.00 -2.10 0.00 0.00 70.33 67.51 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 -0.45 0.11 1.39 3.42 2.03 -1.91 -2.38 116.42 118.63 1a5j h ASP 93 Ca -0.17 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.07 1a5j h ASP 93 Cb 0.56 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1a5j h ASP 93 CO 0.16 0.71 0.00 -1.13 -1.03 0.00 0.00 179.24 177.95 1a5j h ASN 94 N 0.07 0.00 0.21 4.15 -1.24 -1.94 -0.66 115.58 116.17 1a5j h ASN 94 Ca -0.01 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1a5j h ASN 94 Cb 1.13 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 1a5j h ASN 94 CO 0.09 0.00 -0.10 0.00 -1.29 0.00 0.00 177.43 176.13 1a5j h ALA 95 N 2.24 -0.31 0.74 1.57 0.00 -1.79 -3.07 119.26 118.63 1a5j h ALA 95 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1a5j h ALA 95 Cb 0.69 0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1a5j h ALA 95 CO 0.00 -0.29 -0.35 0.28 0.00 0.00 0.00 179.25 178.88 1a5j h VAL 96 N -0.96 0.03 -0.73 0.00 2.07 -1.57 0.12 116.25 115.21 1a5j h VAL 96 Ca -0.03 -0.27 0.24 0.00 0.82 0.00 0.00 66.70 67.46 1a5j h VAL 96 Cb 0.22 0.04 -0.13 0.00 -1.52 0.00 0.00 31.29 29.89 1a5j h VAL 96 CO 0.05 0.00 0.16 1.17 0.02 0.00 0.00 177.57 178.98 1a5j n LYS 97 N -5.43 -0.05 0.11 1.57 4.81 -0.25 0.11 118.16 119.01 1a5j n LYS 97 Ca -0.12 1.05 -0.08 0.00 -0.87 0.00 0.00 58.31 58.29 1a5j n LYS 97 Cb 0.39 -1.76 -0.05 0.00 0.02 0.00 0.00 35.03 33.64 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 -0.30 -1.09 3.14 -0.73 -1.41 -3.10 115.58 112.08 1a5j h ASN 98 Ca 0.51 -0.11 0.32 0.00 1.87 0.00 0.00 56.30 58.88 1a5j h ASN 98 Cb 1.19 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 39.82 1a5j h ASN 98 CO -0.63 0.18 1.00 -0.74 -0.37 0.00 0.00 177.43 176.87 1a5j h HIS 99 N -1.04 0.00 0.12 0.67 2.76 0.34 1.15 115.15 119.14 1a5j h HIS 99 Ca -0.04 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.13 1a5j h HIS 99 Cb 0.40 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1a5j h HIS 99 CO 0.03 0.00 -0.06 2.35 -1.30 0.00 0.00 177.93 178.95 1a5j h TRP 100 N 0.00 -0.15 0.00 5.26 -0.00 0.82 -2.40 115.95 119.48 1a5j h TRP 100 Ca 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.40 1a5j h TRP 100 Cb 2.51 0.05 0.00 0.00 -0.00 0.00 0.00 29.16 31.72 1a5j h TRP 100 CO 0.00 -0.09 0.00 0.09 -0.00 0.00 0.00 178.44 178.44 1a5j n ASN 101 N -2.50 0.00 0.00 2.65 3.02 0.32 -1.34 115.26 117.41 1a5j n ASN 101 Ca -0.02 -0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1a5j n ASN 101 Cb 0.06 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 -1.18 0.00 0.00 6.41 7.64 0.37 -4.70 113.62 122.16 1a5j n SER 102 Ca 0.09 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1a5j n SER 102 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1a5j n SER 102 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1a5j n THR 103 N -0.44 0.00 -0.64 0.44 -1.04 -0.96 -4.65 114.28 107.00 1a5j n THR 103 Ca 0.00 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.05 61.52 1a5j n THR 103 Cb 0.00 0.83 0.08 0.00 -1.82 0.00 0.00 70.33 69.42 1a5j n THR 103 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1a5j n ILE 104 N -1.06 2.62 -3.60 12.58 5.41 -0.53 -4.73 119.36 130.06 1a5j n ILE 104 Ca 0.00 -1.52 -0.10 0.00 1.00 0.00 0.00 62.75 62.13 1a5j n ILE 104 Cb 0.00 -0.98 -0.10 0.00 -0.71 0.00 0.00 39.64 37.85 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 -2.10 0.27 -0.00 0.38 -0.14 -0.45 -4.63 119.74 113.07 1a5j s LYS 105 Ca 0.36 0.82 -0.00 0.00 -1.36 0.00 0.00 55.97 55.79 1a5j s LYS 105 Cb 0.29 0.01 -0.00 0.00 -1.68 0.00 0.00 37.83 36.45 1a5j s LYS 105 CO 0.03 -0.35 0.20 0.00 -0.76 0.00 0.00 175.35 174.47 1a5j h ARG 106 N 8.21 -0.01 -5.24 1.68 3.08 -1.90 -3.39 114.38 116.81 1a5j h ARG 106 Ca -0.16 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.49 1a5j h ARG 106 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.16 1a5j h ARG 106 CO 0.16 -0.01 1.32 1.17 -1.07 0.00 0.00 179.97 181.54 1a5j n LYS 107 N -2.16 1.53 0.00 0.04 4.81 -1.26 -3.36 118.16 117.76 1a5j n LYS 107 Ca -0.00 -2.30 0.00 0.00 -0.87 0.00 0.00 58.31 55.13 1a5j n LYS 107 Cb 0.01 -3.55 0.00 0.00 0.02 0.00 0.00 35.03 31.51 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 7.44 0.00 -2.96 3.15 0.31 -1.26 -5.03 118.33 119.97 1a5j n VAL 108 Ca 0.46 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.66 1a5j n VAL 108 Cb 0.45 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 33.22 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 -2.29 0.00 4.52 2.03 -1.21 -5.19 116.55 112.18 1a5j n ASP 109 Ca 0.00 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.50 1a5j n ASP 109 Cb 0.00 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 1a5j n ASP 109 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35