#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ia0 s GLU 4 N 0.00 0.96 -0.22 1.97 2.02 -1.26 -5.13 118.70 117.04 3ia0 s GLU 4 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 54.97 54.57 3ia0 s GLU 4 Cb 0.00 -0.90 -0.03 0.00 0.10 0.00 0.00 34.13 33.30 3ia0 s GLU 4 CO 0.00 0.18 0.03 1.03 0.02 0.00 0.00 175.26 176.51 3ia0 s ARG 5 N -0.03 3.65 -0.03 1.61 0.52 -1.26 -5.09 118.95 118.31 3ia0 s ARG 5 Ca 0.00 -0.50 0.06 0.00 -0.52 0.00 0.00 55.73 54.78 3ia0 s ARG 5 Cb -0.07 -3.18 -0.01 0.00 0.52 0.00 0.00 34.95 32.21 3ia0 s ARG 5 CO 0.00 -0.06 -0.22 0.42 0.02 0.00 0.00 175.30 175.46 3ia0 s ILE 6 N 1.21 1.80 0.03 1.52 -1.09 -1.26 -5.12 121.20 118.28 3ia0 s ILE 6 Ca 0.04 -0.95 -0.20 0.00 -2.23 0.00 0.00 60.65 57.31 3ia0 s ILE 6 Cb -0.14 -1.51 -0.06 0.00 -1.58 0.00 0.00 42.46 39.17 3ia0 s ILE 6 CO 0.02 0.51 0.60 -0.63 -1.23 0.00 0.00 174.94 174.20 3ia0 s ILE 7 N -0.31 4.83 -0.24 2.92 1.01 -1.26 -5.06 121.20 123.09 3ia0 s ILE 7 Ca 0.03 1.26 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 3ia0 s ILE 7 Cb -0.11 -3.93 0.07 0.00 0.01 0.00 0.00 42.46 38.50 3ia0 s ILE 7 CO 0.01 0.47 0.04 -1.10 0.00 0.00 0.00 174.94 174.36 3ia0 s GLN 8 N -0.53 0.81 -0.36 2.79 -0.21 -1.26 -5.08 119.66 115.82 3ia0 s GLN 8 Ca 0.31 -0.70 -0.29 0.00 0.02 0.00 0.00 55.36 54.70 3ia0 s GLN 8 Cb -0.19 -2.13 0.01 0.00 1.00 0.00 0.00 33.01 31.70 3ia0 s GLN 8 CO 0.18 -0.74 1.18 -1.21 -2.12 0.00 0.00 175.29 172.58 3ia0 s GLU 9 N 1.72 3.91 0.11 2.91 2.02 -1.26 -5.01 118.70 123.10 3ia0 s GLU 9 Ca 0.02 1.00 -0.13 0.00 0.02 0.00 0.00 54.97 55.87 3ia0 s GLU 9 Cb -0.17 -3.84 -0.06 0.00 0.10 0.00 0.00 34.13 30.15 3ia0 s GLU 9 CO -0.13 -1.13 0.49 -0.59 0.02 0.00 0.00 175.26 173.92 3ia0 s PHE 10 N 4.18 3.63 0.01 1.61 -0.12 -1.26 -5.09 117.98 120.95 3ia0 s PHE 10 Ca 0.50 0.99 -0.11 0.00 -0.05 0.00 0.00 56.93 58.26 3ia0 s PHE 10 Cb -0.12 -2.31 0.01 0.00 -0.63 0.00 0.00 43.02 39.97 3ia0 s PHE 10 CO 0.23 0.49 0.23 0.14 -0.05 0.00 0.00 175.22 176.26 3ia0 s VAL 11 N -1.38 0.08 0.35 -2.49 -7.23 -1.26 -5.15 120.40 103.33 3ia0 s VAL 11 Ca 0.34 -0.68 -0.27 0.00 -1.81 0.00 0.00 61.98 59.55 3ia0 s VAL 11 Cb -0.15 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.98 3ia0 s VAL 11 CO 0.18 -0.38 1.22 -2.84 -0.31 0.00 0.00 175.10 172.97 3ia0 s PRO 12 N -1.90 4.28 0.80 4.82 0.02 -1.26 -5.05 135.00 136.71 3ia0 s PRO 12 Ca -0.10 2.01 -0.10 0.00 0.02 0.00 0.00 61.00 62.83 3ia0 s PRO 12 Cb -0.04 -2.94 0.10 0.00 0.02 0.00 0.00 34.50 31.64 3ia0 s PRO 12 CO 0.00 -0.17 1.13 0.20 -0.33 0.00 0.00 177.00 177.83 3ia0 s GLY 13 N -0.79 1.68 -0.33 0.52 0.00 -1.26 -4.91 107.32 102.22 3ia0 s GLY 13 Ca 0.51 -0.94 -0.01 0.00 0.00 0.00 0.00 44.72 44.28 3ia0 s GLY 13 CO 0.46 -0.42 0.06 0.54 0.00 0.00 0.00 173.10 173.74 3ia0 s LYS 14 N -5.49 2.20 -0.23 2.90 1.02 -1.25 -2.88 119.74 116.01 3ia0 s LYS 14 Ca 0.64 -1.49 -0.19 0.00 0.02 0.00 0.00 55.97 54.94 3ia0 s LYS 14 Cb -0.09 -3.29 0.06 0.00 -0.52 0.00 0.00 37.83 33.99 3ia0 s LYS 14 CO 0.48 -0.78 0.61 -1.14 -0.92 0.00 0.00 175.35 173.60 3ia0 s GLN 15 N 1.18 0.69 -0.44 1.68 0.74 -0.60 -1.46 119.66 121.44 3ia0 s GLN 15 Ca 0.00 0.92 -0.18 0.00 0.05 0.00 0.00 55.36 56.15 3ia0 s GLN 15 Cb -0.21 0.28 0.03 0.00 1.10 0.00 0.00 33.01 34.22 3ia0 s GLN 15 CO -0.03 -0.10 0.51 0.08 -0.55 0.00 0.00 175.29 175.20 3ia0 s VAL 16 N 0.65 5.01 -0.02 1.34 1.01 0.38 -1.74 120.40 127.03 3ia0 s VAL 16 Ca -0.03 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3ia0 s VAL 16 Cb -0.05 -4.12 -0.29 0.00 0.00 0.00 0.00 36.38 31.92 3ia0 s VAL 16 CO -0.04 -0.54 0.77 0.74 0.00 0.00 0.00 175.10 176.04 3ia0 h THR 17 N 5.78 1.05 -2.85 3.92 2.02 -1.72 -3.27 112.91 117.85 3ia0 h THR 17 Ca -0.26 -2.66 -0.11 0.00 0.77 0.00 0.00 66.41 64.15 3ia0 h THR 17 Cb 1.10 2.77 -0.21 0.00 -1.74 0.00 0.00 68.15 70.08 3ia0 h THR 17 CO 0.85 0.83 -0.21 -1.48 0.37 0.00 0.00 175.52 175.88 3ia0 s LEU 18 N -7.14 0.59 -0.30 2.58 0.05 -1.25 -4.87 118.68 108.33 3ia0 s LEU 18 Ca -0.12 0.28 -0.03 0.00 0.05 0.00 0.00 54.13 54.31 3ia0 s LEU 18 Cb 0.06 1.46 0.11 0.00 -2.05 0.00 0.00 46.19 45.77 3ia0 s LEU 18 CO 0.86 -0.42 0.16 0.00 -0.55 0.00 0.00 176.35 176.39 3ia0 s ALA 19 N -1.07 0.55 -0.05 1.48 0.00 -1.25 -2.22 121.76 119.21 3ia0 s ALA 19 Ca -0.11 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.79 3ia0 s ALA 19 Cb -0.04 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3ia0 s ALA 19 CO 0.04 -1.72 -0.25 -1.58 0.00 0.00 0.00 175.76 172.25 3ia0 s HIS 20 N 1.98 2.39 -0.15 0.00 5.04 0.65 -1.44 115.29 123.75 3ia0 s HIS 20 Ca 0.10 -0.63 -0.07 0.00 -1.54 0.00 0.00 55.06 52.92 3ia0 s HIS 20 Cb -0.17 -1.56 -0.04 0.00 0.04 0.00 0.00 32.58 30.86 3ia0 s HIS 20 CO -0.31 -0.16 0.08 -1.17 -2.34 0.00 0.00 174.74 170.84 3ia0 s LEU 21 N -0.29 4.00 -0.34 8.88 1.98 0.16 -0.38 118.68 132.69 3ia0 s LEU 21 Ca 0.00 0.23 0.00 0.00 -2.89 0.00 0.00 54.13 51.48 3ia0 s LEU 21 Cb -0.13 -1.99 0.11 0.00 0.66 0.00 0.00 46.19 44.85 3ia0 s LEU 21 CO 0.02 0.29 0.12 -0.63 -1.89 0.00 0.00 176.35 174.26 3ia0 s ILE 22 N -0.30 1.08 0.18 6.68 1.01 0.66 -0.04 121.20 130.47 3ia0 s ILE 22 Ca 0.09 -1.72 -0.27 0.00 0.00 0.00 0.00 60.65 58.76 3ia0 s ILE 22 Cb -0.12 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.47 3ia0 s ILE 22 CO 0.01 -0.72 0.82 0.00 0.00 0.00 0.00 174.94 175.05 3ia0 s ALA 23 N 1.29 3.42 -0.89 9.38 0.00 -0.89 -1.32 121.76 132.75 3ia0 s ALA 23 Ca 0.12 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 3ia0 s ALA 23 Cb -0.19 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3ia0 s ALA 23 CO -0.18 0.27 0.81 0.72 0.00 0.00 0.00 175.76 177.38 3ia0 n HIS 24 N 1.58 -2.70 0.10 0.00 8.25 -1.26 -4.25 115.22 116.94 3ia0 n HIS 24 Ca -0.05 0.99 -0.05 0.00 -0.26 0.00 0.00 57.72 58.36 3ia0 n HIS 24 Cb 0.48 -4.11 0.07 0.00 1.12 0.00 0.00 29.99 27.55 3ia0 n HIS 24 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3ia0 h PRO 25 N -0.33 0.08 0.00 -0.41 0.11 -1.81 -3.45 132.00 126.19 3ia0 h PRO 25 Ca -0.31 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3ia0 h PRO 25 Cb 1.16 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ia0 h PRO 25 CO 0.37 0.78 0.00 0.41 -0.21 0.00 0.00 178.00 179.35 3ia0 n GLY 26 N 0.59 0.42 0.32 -0.55 0.00 -1.26 -4.47 105.19 100.25 3ia0 n GLY 26 Ca -0.02 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 3ia0 n GLY 26 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3ia0 h GLU 27 N 0.00 1.03 0.35 1.61 4.81 -1.98 -1.43 114.58 118.97 3ia0 h GLU 27 Ca 0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 3ia0 h GLU 27 Cb 0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3ia0 h GLU 27 CO 0.00 0.92 -0.17 1.49 -0.73 0.00 0.00 179.01 180.52 3ia0 h GLU 28 N 0.98 -0.45 -0.51 1.92 4.81 -1.99 0.55 114.58 119.88 3ia0 h GLU 28 Ca 0.21 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3ia0 h GLU 28 Cb 0.36 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3ia0 h GLU 28 CO 0.00 -0.26 0.33 1.25 -0.73 0.00 0.00 179.01 179.61 3ia0 h LEU 29 N -0.55 0.60 -0.64 1.64 5.85 -1.77 -1.51 115.31 118.93 3ia0 h LEU 29 Ca -0.05 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3ia0 h LEU 29 Cb 0.41 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3ia0 h LEU 29 CO 0.08 0.45 0.32 0.00 -0.34 0.00 0.00 178.44 178.95 3ia0 h ALA 30 N 1.18 0.85 -0.26 1.25 0.00 -1.10 0.86 119.26 122.03 3ia0 h ALA 30 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ia0 h ALA 30 Cb -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ia0 h ALA 30 CO -0.04 -0.04 0.11 -0.22 0.00 0.00 0.00 179.25 179.06 3ia0 h LYS 31 N 0.58 0.39 -0.48 0.00 3.64 -0.50 0.73 116.57 120.93 3ia0 h LYS 31 Ca 0.30 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 3ia0 h LYS 31 Cb 0.25 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3ia0 h LYS 31 CO -0.22 0.41 0.22 0.87 -2.27 0.00 0.00 179.45 178.46 3ia0 h LYS 32 N 0.27 0.42 0.00 1.90 1.79 -0.76 -2.73 116.57 117.46 3ia0 h LYS 32 Ca 0.09 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 3ia0 h LYS 32 Cb 0.17 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3ia0 h LYS 32 CO -0.01 0.28 -0.37 0.82 -1.08 0.00 0.00 179.45 179.09 3ia0 h ILE 33 N 0.43 0.85 -0.75 1.86 2.04 -0.46 -3.47 117.51 118.01 3ia0 h ILE 33 Ca 0.22 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.53 3ia0 h ILE 33 Cb 0.16 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 3ia0 h ILE 33 CO -0.18 0.37 0.00 0.61 0.00 0.00 0.00 178.15 178.95 3ia0 n GLY 34 N 0.31 0.96 3.36 5.37 0.00 0.20 -5.01 105.19 110.38 3ia0 n GLY 34 Ca -0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 3ia0 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ia0 s VAL 35 N -2.75 1.25 0.65 1.61 -7.23 -0.89 -4.87 120.40 108.17 3ia0 s VAL 35 Ca 0.00 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 57.93 3ia0 s VAL 35 Cb 0.00 -2.34 -0.00 0.00 0.56 0.00 0.00 36.38 34.60 3ia0 s VAL 35 CO 0.00 -0.35 1.20 -2.84 -0.31 0.00 0.00 175.10 172.80 3ia0 s PRO 36 N -3.81 2.64 0.67 4.82 0.02 -1.26 -4.43 135.00 133.65 3ia0 s PRO 36 Ca 0.28 1.77 -0.09 0.00 0.02 0.00 0.00 61.00 62.98 3ia0 s PRO 36 Cb 0.05 -1.89 0.02 0.00 0.02 0.00 0.00 34.50 32.70 3ia0 s PRO 36 CO 0.09 -1.45 1.01 0.34 -0.33 0.00 0.00 177.00 176.66 3ia0 s ASP 37 N -1.84 5.36 -1.12 2.53 2.15 -1.26 -4.23 116.67 118.26 3ia0 s ASP 37 Ca 0.76 0.85 0.00 0.00 0.43 0.00 0.00 52.55 54.58 3ia0 s ASP 37 Cb -0.29 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.64 3ia0 s ASP 37 CO 0.38 -1.30 0.00 0.00 -0.17 0.00 0.00 175.17 174.08 3ia0 n ALA 38 N -2.84 -0.20 -2.68 3.66 0.00 -1.26 -5.01 120.51 112.18 3ia0 n ALA 38 Ca 0.06 0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.47 3ia0 n ALA 38 Cb 0.58 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 3ia0 n ALA 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3ia0 s VAL 39 N -2.44 1.18 0.89 0.00 -7.23 -1.26 -5.01 120.40 106.52 3ia0 s VAL 39 Ca 0.00 -1.35 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 3ia0 s VAL 39 Cb 0.00 -1.14 0.13 0.00 0.56 0.00 0.00 36.38 35.93 3ia0 s VAL 39 CO 0.00 -0.22 1.09 0.00 -0.31 0.00 0.00 175.10 175.66 3ia0 s ALA 40 N -1.32 1.59 -0.01 1.32 0.00 0.32 -4.51 121.76 119.16 3ia0 s ALA 40 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3ia0 s ALA 40 Cb -0.10 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3ia0 s ALA 40 CO 0.02 -2.31 0.01 0.42 0.00 0.00 0.00 175.76 173.90 3ia0 s ILE 41 N -2.96 0.02 -0.11 0.00 1.01 -0.43 -2.58 121.20 116.15 3ia0 s ILE 41 Ca 0.63 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.35 3ia0 s ILE 41 Cb -0.18 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 3ia0 s ILE 41 CO 0.57 0.06 -0.08 -0.83 0.00 0.00 0.00 174.94 174.65 3ia0 s GLY 42 N 0.49 1.64 -0.10 6.18 0.00 -0.02 -0.25 107.32 115.27 3ia0 s GLY 42 Ca -0.04 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.82 3ia0 s GLY 42 CO -0.01 -0.35 -0.14 -0.42 0.00 0.00 0.00 173.10 172.17 3ia0 s ILE 43 N -0.10 1.40 -0.02 0.90 1.01 0.49 -2.08 121.20 122.80 3ia0 s ILE 43 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3ia0 s ILE 43 Cb -0.13 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 41.05 3ia0 s ILE 43 CO 0.03 0.42 -0.11 -0.04 0.00 0.00 0.00 174.94 175.24 3ia0 s MET 44 N 0.92 0.94 -0.11 2.79 -1.94 -1.00 -0.26 119.30 120.65 3ia0 s MET 44 Ca -0.09 -0.37 -0.01 0.00 -1.71 0.00 0.00 55.69 53.51 3ia0 s MET 44 Cb -0.15 -0.90 -0.03 0.00 2.01 0.00 0.00 34.83 35.76 3ia0 s MET 44 CO -0.00 0.20 -0.05 0.95 -0.01 0.00 0.00 175.02 176.11 3ia0 s THR 45 N -0.11 3.82 0.02 2.05 -4.23 -0.94 -2.53 115.64 113.71 3ia0 s THR 45 Ca 0.02 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 3ia0 s THR 45 Cb -0.06 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 3ia0 s THR 45 CO -0.00 0.55 -0.07 -0.76 -0.54 0.00 0.00 174.62 173.80 3ia0 s LEU 46 N -0.26 2.11 -0.05 4.79 1.43 -0.64 -2.11 118.68 123.96 3ia0 s LEU 46 Ca 0.04 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ia0 s LEU 46 Cb -0.13 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 45.87 3ia0 s LEU 46 CO 0.02 -0.04 -0.06 -0.89 0.23 0.00 0.00 176.35 175.62 3ia0 s THR 47 N -0.65 0.61 1.01 5.49 2.01 -0.71 -4.07 115.64 119.33 3ia0 s THR 47 Ca -0.03 -0.18 -0.15 0.00 0.31 0.00 0.00 61.69 61.64 3ia0 s THR 47 Cb -0.05 -0.62 0.20 0.00 0.01 0.00 0.00 72.50 72.03 3ia0 s THR 47 CO 0.00 0.24 1.18 -2.16 -0.69 0.00 0.00 174.62 173.19 3ia0 s PRO 48 N 0.83 0.31 0.43 4.92 0.04 -1.14 -1.56 135.00 138.83 3ia0 s PRO 48 Ca -0.12 -0.02 0.13 0.00 0.04 0.00 0.00 61.00 61.03 3ia0 s PRO 48 Cb -0.14 -1.77 1.00 0.00 0.04 0.00 0.00 34.50 33.62 3ia0 s PRO 48 CO 0.01 -2.70 1.99 0.78 0.04 0.00 0.00 177.00 177.11 3ia0 h GLY 49 N -1.86 0.60 2.00 0.56 0.00 -1.77 -1.59 103.07 101.01 3ia0 h GLY 49 Ca -0.47 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3ia0 h GLY 49 CO 0.47 0.12 0.00 1.18 0.00 0.00 0.00 176.54 178.31 3ia0 n GLU 50 N -4.47 0.18 0.29 4.80 4.71 -1.21 -2.61 120.64 122.33 3ia0 n GLU 50 Ca 0.09 0.50 0.15 0.00 -0.01 0.00 0.00 57.16 57.89 3ia0 n GLU 50 Cb 0.33 -1.92 0.91 0.00 -1.01 0.00 0.00 31.44 29.75 3ia0 n GLU 50 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3ia0 h THR 51 N 0.00 0.51 -0.15 2.62 2.02 -1.62 -2.68 112.91 113.61 3ia0 h THR 51 Ca 0.00 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.13 3ia0 h THR 51 Cb 0.25 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3ia0 h THR 51 CO 0.00 0.02 0.10 0.00 0.37 0.00 0.00 175.52 176.01 3ia0 h ALA 52 N 1.98 1.99 -0.15 6.16 0.00 -1.72 0.12 119.26 127.63 3ia0 h ALA 52 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3ia0 h ALA 52 Cb 0.04 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ia0 h ALA 52 CO 0.00 -0.01 -0.75 0.52 0.00 0.00 0.00 179.25 179.01 3ia0 h MET 53 N 0.12 0.74 -0.18 0.00 2.86 -1.74 -0.19 114.93 116.54 3ia0 h MET 53 Ca 0.06 -0.59 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 3ia0 h MET 53 Cb 0.10 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3ia0 h MET 53 CO -0.01 1.21 0.00 0.82 1.06 0.00 0.00 176.91 179.99 3ia0 h ILE 54 N 0.51 1.25 -0.63 -1.22 2.04 -1.40 -2.15 117.51 115.91 3ia0 h ILE 54 Ca -0.04 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.92 3ia0 h ILE 54 Cb 1.37 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.88 3ia0 h ILE 54 CO 0.15 0.26 0.22 0.00 0.00 0.00 0.00 178.15 178.78 3ia0 h ALA 55 N 0.78 1.21 -0.41 1.87 0.00 -0.84 -1.94 119.26 119.92 3ia0 h ALA 55 Ca 0.05 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3ia0 h ALA 55 Cb 0.38 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3ia0 h ALA 55 CO 0.01 0.57 0.15 0.78 0.00 0.00 0.00 179.25 180.76 3ia0 h GLY 56 N 1.02 0.54 0.59 0.00 0.00 -0.89 0.28 103.07 104.62 3ia0 h GLY 56 Ca 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.46 3ia0 h GLY 56 CO -0.01 0.03 -0.30 -1.80 0.00 0.00 0.00 176.54 174.46 3ia0 h ASP 57 N 0.32 -0.82 -0.05 0.19 3.58 -1.03 -2.32 116.42 116.28 3ia0 h ASP 57 Ca 0.19 0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.76 3ia0 h ASP 57 Cb 0.17 0.29 -0.05 0.00 1.72 0.00 0.00 39.33 41.46 3ia0 h ASP 57 CO -0.19 -0.41 -0.27 -0.07 -2.88 0.00 0.00 179.24 175.42 3ia0 h LEU 58 N -0.58 -0.82 -0.47 2.28 3.38 -0.98 -2.36 115.31 115.76 3ia0 h LEU 58 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3ia0 h LEU 58 Cb 0.56 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3ia0 h LEU 58 CO -0.11 -0.33 0.31 0.00 0.09 0.00 0.00 178.44 178.40 3ia0 h ALA 59 N 0.46 0.60 -0.89 1.53 0.00 -0.94 -1.28 119.26 118.74 3ia0 h ALA 59 Ca 0.08 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3ia0 h ALA 59 Cb 0.49 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3ia0 h ALA 59 CO -0.27 0.06 0.58 -0.07 0.00 0.00 0.00 179.25 179.55 3ia0 h LEU 60 N 0.64 0.83 0.00 0.00 3.38 -1.27 -2.22 115.31 116.67 3ia0 h LEU 60 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ia0 h LEU 60 Cb -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3ia0 h LEU 60 CO -0.04 0.50 -0.11 0.11 0.09 0.00 0.00 178.44 178.99 3ia0 h LYS 61 N 0.92 0.00 0.05 1.13 1.57 -0.82 -3.36 116.57 116.07 3ia0 h LYS 61 Ca 0.41 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.89 3ia0 h LYS 61 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3ia0 h LYS 61 CO -0.17 0.00 -1.57 0.00 -0.57 0.00 0.00 179.45 177.14 3ia0 h ALA 62 N 2.45 0.50 -2.98 3.86 0.00 -0.62 -3.49 119.26 118.98 3ia0 h ALA 62 Ca 0.00 -1.25 -0.07 0.00 0.00 0.00 0.00 54.91 53.59 3ia0 h ALA 62 Cb 0.78 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3ia0 h ALA 62 CO 0.00 1.36 0.18 0.00 0.00 0.00 0.00 179.25 180.78 3ia0 s ALA 63 N -2.62 -0.45 -1.31 0.00 0.00 -1.17 -4.71 121.76 111.50 3ia0 s ALA 63 Ca -0.07 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.86 3ia0 s ALA 63 Cb 0.08 0.78 0.11 0.00 0.00 0.00 0.00 23.12 24.09 3ia0 s ALA 63 CO 0.83 -0.95 1.80 -3.47 0.00 0.00 0.00 175.76 173.97 3ia0 n ASP 64 N -1.36 4.79 -4.58 0.00 2.03 -1.26 -4.69 116.55 111.47 3ia0 n ASP 64 Ca -0.06 -2.95 -0.27 0.00 0.52 0.00 0.00 54.79 52.03 3ia0 n ASP 64 Cb 0.60 -1.63 -0.11 0.00 -0.72 0.00 0.00 41.12 39.26 3ia0 n ASP 64 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3ia0 s VAL 65 N 2.61 1.84 0.06 5.18 -7.23 -1.26 -4.61 120.40 116.99 3ia0 s VAL 65 Ca 0.47 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3ia0 s VAL 65 Cb 0.06 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 3ia0 s VAL 65 CO 0.01 -0.01 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.70 3ia0 s HIS 66 N -2.83 0.81 -0.48 2.82 3.76 -0.62 -4.84 115.29 113.91 3ia0 s HIS 66 Ca 0.35 -0.57 -0.27 0.00 -0.15 0.00 0.00 55.06 54.42 3ia0 s HIS 66 Cb 0.09 -0.47 0.03 0.00 1.11 0.00 0.00 32.58 33.34 3ia0 s HIS 66 CO 0.17 -0.07 1.04 0.42 -0.85 0.00 0.00 174.74 175.45 3ia0 s ILE 67 N -1.81 4.32 0.04 0.60 1.01 -1.26 -1.06 121.20 123.04 3ia0 s ILE 67 Ca -0.04 0.93 -0.27 0.00 0.00 0.00 0.00 60.65 61.27 3ia0 s ILE 67 Cb -0.07 -4.54 -0.17 0.00 0.01 0.00 0.00 42.46 37.69 3ia0 s ILE 67 CO -0.00 -0.97 1.45 1.23 0.00 0.00 0.00 174.94 176.65 3ia0 h GLY 68 N 10.98 -0.44 -3.11 6.18 0.00 -0.17 -3.47 103.07 113.03 3ia0 h GLY 68 Ca -0.24 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.29 3ia0 h GLY 68 CO 1.09 -0.16 0.33 -0.11 0.00 0.00 0.00 176.54 177.69 3ia0 s PHE 69 N -5.35 -0.45 -0.08 5.60 -0.71 -1.04 -4.95 117.98 111.01 3ia0 s PHE 69 Ca -0.15 0.26 -0.00 0.00 -1.04 0.00 0.00 56.93 56.00 3ia0 s PHE 69 Cb 0.03 0.56 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 3ia0 s PHE 69 CO 0.60 -0.73 -0.04 -1.17 -1.34 0.00 0.00 175.22 172.53 3ia0 s LEU 70 N -2.65 1.01 -0.38 -1.99 0.20 -1.26 -1.25 118.68 112.37 3ia0 s LEU 70 Ca 0.03 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.70 3ia0 s LEU 70 Cb -0.01 -0.59 0.11 0.00 -0.43 0.00 0.00 46.19 45.26 3ia0 s LEU 70 CO -0.11 -0.12 0.11 -0.62 -0.29 0.00 0.00 176.35 175.32 3ia0 s ASP 71 N 1.56 4.82 0.00 3.68 3.68 0.76 -4.95 116.67 126.21 3ia0 s ASP 71 Ca -0.00 -2.24 0.27 0.00 2.13 0.00 0.00 52.55 52.71 3ia0 s ASP 71 Cb -0.13 -1.67 1.60 0.00 -1.45 0.00 0.00 42.92 41.27 3ia0 s ASP 71 CO -0.04 -0.39 1.97 -2.11 0.13 0.00 0.00 175.17 174.72 3ia0 n ARG 72 N 4.18 0.81 -0.09 4.34 1.85 -1.26 -0.50 116.66 125.99 3ia0 n ARG 72 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.76 3ia0 n ARG 72 Cb 0.41 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.27 3ia0 n ARG 72 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3ia0 n PHE 73 N -1.03 0.47 0.17 2.89 3.01 -1.26 -3.36 117.46 118.35 3ia0 n PHE 73 Ca 0.20 0.20 0.05 0.00 1.01 0.00 0.00 57.45 58.91 3ia0 n PHE 73 Cb 0.10 -0.75 0.12 0.00 -0.01 0.00 0.00 39.48 38.95 3ia0 n PHE 73 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3ia0 h SER 74 N -1.00 0.00 0.00 4.37 4.64 -1.87 -3.39 113.55 116.30 3ia0 h SER 74 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3ia0 h SER 74 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3ia0 h SER 74 CO -0.09 0.39 0.00 0.61 -0.87 0.00 0.00 176.83 176.87 3ia0 n GLY 75 N 1.00 0.68 3.81 -0.77 0.00 0.34 -4.64 105.19 105.62 3ia0 n GLY 75 Ca 0.02 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3ia0 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ia0 s ALA 76 N -2.00 3.28 -0.09 4.61 0.00 -0.98 -1.61 121.76 124.97 3ia0 s ALA 76 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 3ia0 s ALA 76 Cb 0.00 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.18 3ia0 s ALA 76 CO 0.00 0.25 0.18 -1.17 0.00 0.00 0.00 175.76 175.02 3ia0 s LEU 77 N -2.29 0.25 -0.15 0.00 2.96 -1.05 -0.17 118.68 118.22 3ia0 s LEU 77 Ca 0.50 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3ia0 s LEU 77 Cb -0.16 0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.98 3ia0 s LEU 77 CO 0.20 -0.20 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.13 3ia0 s VAL 78 N 1.76 2.05 0.34 1.68 1.01 -0.38 -2.38 120.40 124.48 3ia0 s VAL 78 Ca -0.03 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.07 3ia0 s VAL 78 Cb -0.12 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3ia0 s VAL 78 CO -0.07 0.54 0.06 0.27 0.00 0.00 0.00 175.10 175.91 3ia0 s ILE 79 N 0.99 2.76 0.20 2.22 -4.36 -0.88 0.58 121.20 122.71 3ia0 s ILE 79 Ca -0.03 -1.87 -0.09 0.00 -0.26 0.00 0.00 60.65 58.40 3ia0 s ILE 79 Cb -0.15 -2.86 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 3ia0 s ILE 79 CO -0.06 -0.19 0.33 -0.72 0.24 0.00 0.00 174.94 174.54 3ia0 s TYR 80 N -2.49 0.53 -5.00 1.37 -0.85 -0.22 -0.84 117.35 109.85 3ia0 s TYR 80 Ca 0.36 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 56.04 3ia0 s TYR 80 Cb -0.01 -0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.27 3ia0 s TYR 80 CO 0.20 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 173.84 3ia0 n GLY 81 N -0.29 0.31 3.73 5.49 0.00 -1.06 -1.58 105.19 111.79 3ia0 n GLY 81 Ca -0.03 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 3ia0 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ia0 s SER 82 N -4.00 4.19 0.26 1.61 1.04 -1.26 -0.52 113.70 115.03 3ia0 s SER 82 Ca 0.00 2.20 -0.02 0.00 0.48 0.00 0.00 55.95 58.61 3ia0 s SER 82 Cb 0.00 -2.57 0.44 0.00 0.10 0.00 0.00 66.02 63.99 3ia0 s SER 82 CO 0.00 -2.26 1.85 0.58 0.98 0.00 0.00 173.24 174.39 3ia0 h VAL 83 N -0.58 0.98 -0.25 5.02 2.07 -1.97 0.74 116.25 122.26 3ia0 h VAL 83 Ca -0.46 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 3ia0 h VAL 83 Cb 1.27 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ia0 h VAL 83 CO 0.49 0.18 -0.25 1.23 0.02 0.00 0.00 177.57 179.24 3ia0 h GLY 84 N 1.00 0.67 0.88 2.17 0.00 -1.99 -1.22 103.07 104.58 3ia0 h GLY 84 Ca 0.44 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3ia0 h GLY 84 CO -0.22 0.62 0.08 0.00 0.00 0.00 0.00 176.54 177.01 3ia0 h ALA 85 N 0.68 0.30 -0.83 3.60 0.00 -1.81 -1.96 119.26 119.23 3ia0 h ALA 85 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3ia0 h ALA 85 Cb 0.81 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3ia0 h ALA 85 CO 0.06 -0.08 0.40 0.28 0.00 0.00 0.00 179.25 179.91 3ia0 h VAL 86 N 0.21 1.26 -0.42 0.00 2.07 -0.88 -0.43 116.25 118.05 3ia0 h VAL 86 Ca 0.07 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3ia0 h VAL 86 Cb 0.22 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3ia0 h VAL 86 CO -0.00 0.31 0.11 -0.08 0.02 0.00 0.00 177.57 177.92 3ia0 h GLU 87 N 1.19 0.67 -0.13 1.57 4.81 -1.09 -1.23 114.58 120.37 3ia0 h GLU 87 Ca 0.29 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3ia0 h GLU 87 Cb 0.11 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ia0 h GLU 87 CO -0.04 0.68 -0.08 1.49 -0.73 0.00 0.00 179.01 180.33 3ia0 h GLU 88 N 0.55 0.29 -0.59 1.92 4.57 -1.19 -1.12 114.58 119.00 3ia0 h GLU 88 Ca 0.13 -0.14 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 3ia0 h GLU 88 Cb 0.31 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.81 3ia0 h GLU 88 CO 0.00 0.64 0.10 0.00 -1.18 0.00 0.00 179.01 178.57 3ia0 h ALA 89 N 0.64 0.66 0.39 2.92 0.00 -1.01 0.16 119.26 123.02 3ia0 h ALA 89 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3ia0 h ALA 89 Cb 0.57 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ia0 h ALA 89 CO 0.02 -0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 178.69 3ia0 h LEU 90 N 0.22 -0.44 -0.36 0.00 3.38 -1.12 -1.22 115.31 115.76 3ia0 h LEU 90 Ca 0.31 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.31 3ia0 h LEU 90 Cb 0.46 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3ia0 h LEU 90 CO -0.42 -0.24 -0.11 -1.28 0.09 0.00 0.00 178.44 176.48 3ia0 h SER 91 N -0.62 -0.40 -0.67 -0.43 0.87 -0.70 -1.89 113.55 109.71 3ia0 h SER 91 Ca -0.05 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3ia0 h SER 91 Cb 0.45 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 3ia0 h SER 91 CO 0.09 -0.14 0.30 1.56 -0.53 0.00 0.00 176.83 178.10 3ia0 h GLN 92 N -0.03 0.98 -0.47 2.24 1.08 -0.68 -2.89 115.11 115.34 3ia0 h GLN 92 Ca 0.18 -0.16 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 3ia0 h GLN 92 Cb 0.30 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3ia0 h GLN 92 CO -0.39 0.79 -0.14 1.15 -0.95 0.00 0.00 178.83 179.29 3ia0 h THR 93 N 0.93 1.27 0.11 -0.54 2.02 -0.70 0.16 112.91 116.15 3ia0 h THR 93 Ca 0.23 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3ia0 h THR 93 Cb 0.16 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3ia0 h THR 93 CO -0.02 0.43 -0.05 0.58 0.37 0.00 0.00 175.52 176.83 3ia0 h VAL 94 N 0.79 1.01 -0.74 3.16 2.07 -1.31 -2.23 116.25 119.01 3ia0 h VAL 94 Ca 0.12 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 3ia0 h VAL 94 Cb 0.67 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 3ia0 h VAL 94 CO 0.05 0.11 0.35 0.77 0.02 0.00 0.00 177.57 178.87 3ia0 h SER 95 N -0.35 0.96 -0.81 0.57 4.64 -1.42 -2.53 113.55 114.61 3ia0 h SER 95 Ca -0.01 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3ia0 h SER 95 Cb 0.29 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 3ia0 h SER 95 CO 0.02 0.81 0.49 1.23 -0.87 0.00 0.00 176.83 178.52 3ia0 h GLY 96 N 1.10 1.17 0.95 -0.77 0.00 -0.89 -0.90 103.07 103.73 3ia0 h GLY 96 Ca 0.26 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3ia0 h GLY 96 CO -0.03 0.46 -0.22 1.41 0.00 0.00 0.00 176.54 178.16 3ia0 h LEU 97 N 1.12 0.72 -1.23 3.11 3.38 -1.00 0.86 115.31 122.27 3ia0 h LEU 97 Ca 0.29 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3ia0 h LEU 97 Cb -0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3ia0 h LEU 97 CO -0.06 1.01 -0.38 1.23 0.09 0.00 0.00 178.44 180.33 3ia0 h GLY 98 N 0.44 0.00 0.04 0.83 0.00 -1.32 -0.42 103.07 102.64 3ia0 h GLY 98 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ia0 h GLY 98 CO 0.06 0.00 -0.02 -0.09 0.00 0.00 0.00 176.54 176.49 3ia0 h ARG 99 N 0.00 -0.05 -0.36 4.80 2.43 -1.04 -1.53 114.38 118.62 3ia0 h ARG 99 Ca -0.00 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3ia0 h ARG 99 Cb 0.69 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3ia0 h ARG 99 CO 0.05 -0.03 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.28 3ia0 h LEU 100 N -0.84 0.61 -0.78 3.80 3.38 -0.92 -3.34 115.31 117.23 3ia0 h LEU 100 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ia0 h LEU 100 Cb 0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ia0 h LEU 100 CO 0.01 0.77 0.00 0.18 0.09 0.00 0.00 178.44 179.49 3ia0 n LEU 101 N -4.17 0.77 -3.71 1.67 4.77 -0.24 -5.02 117.00 111.06 3ia0 n LEU 101 Ca 0.01 -0.77 -0.23 0.00 -0.03 0.00 0.00 56.01 54.99 3ia0 n LEU 101 Cb 0.35 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.48 3ia0 n LEU 101 CO 0.42 0.19 0.03 -3.20 -1.33 0.00 0.00 177.39 173.50 3ia0 n ASN 102 N -0.00 -2.62 -4.80 -1.43 5.15 -0.58 -4.92 115.26 106.06 3ia0 n ASN 102 Ca 0.00 -0.76 -0.32 0.00 -0.60 0.00 0.00 54.58 52.90 3ia0 n ASN 102 Cb 0.06 -4.24 0.05 0.00 -0.53 0.00 0.00 39.78 35.12 3ia0 n ASN 102 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3ia0 s TYR 103 N -3.51 2.90 -0.04 1.20 4.12 -1.12 -4.93 117.35 115.98 3ia0 s TYR 103 Ca 0.22 1.49 -0.30 0.00 0.02 0.00 0.00 57.07 58.50 3ia0 s TYR 103 Cb -0.10 -2.99 -0.03 0.00 -1.52 0.00 0.00 41.96 37.31 3ia0 s TYR 103 CO 0.80 -1.37 1.14 0.99 0.02 0.00 0.00 175.55 177.13 3ia0 s THR 104 N -2.76 4.38 0.51 -0.71 2.01 -0.53 -4.58 115.64 113.95 3ia0 s THR 104 Ca 0.61 1.69 0.07 0.00 0.31 0.00 0.00 61.69 64.37 3ia0 s THR 104 Cb -0.16 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.29 3ia0 s THR 104 CO 0.48 0.04 0.43 -0.76 -0.69 0.00 0.00 174.62 174.12 3ia0 s LEU 105 N 1.82 2.92 0.00 4.42 1.02 -1.26 -0.47 118.68 127.13 3ia0 s LEU 105 Ca 0.55 -1.08 0.05 0.00 0.02 0.00 0.00 54.13 53.67 3ia0 s LEU 105 Cb -0.24 -1.45 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 3ia0 s LEU 105 CO 0.23 -1.00 0.19 0.00 0.02 0.00 0.00 176.35 175.80 3ia0 s GLU 107 N -3.47 4.07 0.32 0.00 0.41 -1.26 -5.01 118.70 113.76 3ia0 s GLU 107 Ca 0.27 0.64 -0.27 0.00 -0.41 0.00 0.00 54.97 55.20 3ia0 s GLU 107 Cb 0.01 -2.86 -0.09 0.00 -1.78 0.00 0.00 34.13 29.41 3ia0 s GLU 107 CO 0.19 0.41 1.01 1.41 -0.49 0.00 0.00 175.26 177.80 3ia0 s MET 108 N -2.09 4.54 0.20 1.61 -2.45 -1.26 -4.32 119.30 115.53 3ia0 s MET 108 Ca 0.41 1.53 0.04 0.00 -1.25 0.00 0.00 55.69 56.43 3ia0 s MET 108 Cb -0.15 -2.93 -0.05 0.00 1.25 0.00 0.00 34.83 32.95 3ia0 s MET 108 CO 0.20 0.20 -0.04 0.95 1.05 0.00 0.00 175.02 177.38 3ia0 s THR 109 N -1.42 1.06 -0.04 10.11 -4.23 -0.52 -5.03 115.64 115.56 3ia0 s THR 109 Ca 0.49 -2.04 -0.14 0.00 -1.18 0.00 0.00 61.69 58.81 3ia0 s THR 109 Cb -0.24 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.45 3ia0 s THR 109 CO 0.31 -0.47 0.32 -1.59 -0.54 0.00 0.00 174.62 172.65 3ia0 s LYS 110 N -3.83 0.61 -0.10 3.99 0.00 -1.26 0.40 119.74 119.55 3ia0 s LYS 110 Ca 0.24 -0.02 0.02 0.00 0.00 0.00 0.00 55.97 56.22 3ia0 s LYS 110 Cb 0.05 0.27 0.01 0.00 0.00 0.00 0.00 37.83 38.16 3ia0 s LYS 110 CO 0.06 -0.15 -0.17 -1.12 0.00 0.00 0.00 175.35 173.97 3ia0 s SER 111 N -0.96 2.42 0.09 0.03 0.01 0.94 -4.93 113.70 111.31 3ia0 s SER 111 Ca -0.10 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.78 3ia0 s SER 111 Cb -0.04 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 3ia0 s SER 111 CO 0.03 0.06 -0.13 -0.76 0.41 0.00 0.00 173.24 172.85 3ia0 s LEU 112 N 0.74 2.35 0.00 2.44 1.43 -1.26 -2.09 118.68 122.29 3ia0 s LEU 112 Ca -0.12 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3ia0 s LEU 112 Cb -0.16 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.59 3ia0 s LEU 112 CO 0.02 -0.15 0.00 -0.62 0.23 0.00 0.00 176.35 175.84