#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 0.97 -0.22 1.97 2.02 -1.26 -5.13 118.70 117.05 3ia0 s GLU 4 Ca 0.00 -0.37 -0.06 0.00 0.02 0.00 0.00 54.97 54.56 3ia0 s GLU 4 Cb 0.00 -0.91 -0.02 0.00 0.10 0.00 0.00 34.13 33.29 3ia0 s GLU 4 CO 0.00 0.19 0.02 1.03 0.02 0.00 0.00 175.26 176.52 3ia0 s ARG 5 N -0.06 3.62 -0.03 1.61 0.52 -1.26 -5.09 118.95 118.25 3ia0 s ARG 5 Ca 0.01 -0.51 0.07 0.00 -0.52 0.00 0.00 55.73 54.78 3ia0 s ARG 5 Cb -0.06 -3.16 -0.02 0.00 0.52 0.00 0.00 34.95 32.23 3ia0 s ARG 5 CO 0.00 -0.07 -0.24 0.42 0.02 0.00 0.00 175.30 175.43 3ia0 s ILE 6 N 1.25 1.95 0.01 1.52 -1.09 -1.26 -5.12 121.20 118.46 3ia0 s ILE 6 Ca 0.04 -1.04 -0.20 0.00 -2.23 0.00 0.00 60.65 57.22 3ia0 s ILE 6 Cb -0.15 -1.63 -0.06 0.00 -1.58 0.00 0.00 42.46 39.04 3ia0 s ILE 6 CO 0.02 0.55 0.58 -0.63 -1.23 0.00 0.00 174.94 174.23 3ia0 s ILE 7 N -0.40 4.87 -0.24 2.92 1.01 -1.26 -5.06 121.20 123.04 3ia0 s ILE 7 Ca 0.04 1.22 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 3ia0 s ILE 7 Cb -0.11 -3.91 0.07 0.00 0.01 0.00 0.00 42.46 38.52 3ia0 s ILE 7 CO 0.01 0.46 0.04 -1.10 0.00 0.00 0.00 174.94 174.35 3ia0 s GLN 8 N -0.44 0.83 -0.33 2.79 -0.21 -1.26 -5.08 119.66 115.96 3ia0 s GLN 8 Ca 0.30 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.68 3ia0 s GLN 8 Cb -0.18 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.69 3ia0 s GLN 8 CO 0.17 -0.74 1.26 -1.21 -2.12 0.00 0.00 175.29 172.65 3ia0 s GLU 9 N 1.71 3.90 0.11 2.91 2.02 -1.26 -5.01 118.70 123.07 3ia0 s GLU 9 Ca 0.01 1.13 -0.14 0.00 0.02 0.00 0.00 54.97 55.99 3ia0 s GLU 9 Cb -0.17 -3.87 -0.07 0.00 0.10 0.00 0.00 34.13 30.12 3ia0 s GLU 9 CO -0.13 -1.14 0.52 -0.59 0.02 0.00 0.00 175.26 173.93 3ia0 s PHE 10 N 4.34 3.65 0.01 1.61 -0.12 -1.26 -5.09 117.98 121.12 3ia0 s PHE 10 Ca 0.54 1.04 -0.11 0.00 -0.05 0.00 0.00 56.93 58.36 3ia0 s PHE 10 Cb -0.15 -2.35 0.01 0.00 -0.63 0.00 0.00 43.02 39.90 3ia0 s PHE 10 CO 0.23 0.49 0.22 0.14 -0.05 0.00 0.00 175.22 176.25 3ia0 s VAL 11 N -1.36 0.08 0.40 -2.49 -7.23 -1.26 -5.15 120.40 103.39 3ia0 s VAL 11 Ca 0.34 -0.70 -0.26 0.00 -1.81 0.00 0.00 61.98 59.56 3ia0 s VAL 11 Cb -0.16 -0.68 -0.09 0.00 0.56 0.00 0.00 36.38 36.02 3ia0 s VAL 11 CO 0.18 -0.38 1.20 -2.84 -0.31 0.00 0.00 175.10 172.95 3ia0 s PRO 12 N -1.84 4.06 0.77 4.82 0.02 -1.26 -5.04 135.00 136.53 3ia0 s PRO 12 Ca -0.11 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 62.76 3ia0 s PRO 12 Cb -0.04 -2.72 0.10 0.00 0.02 0.00 0.00 34.50 31.85 3ia0 s PRO 12 CO 0.00 -0.34 1.09 0.20 -0.33 0.00 0.00 177.00 177.62 3ia0 s GLY 13 N -1.01 1.70 -0.35 0.52 0.00 -1.26 -4.92 107.32 102.01 3ia0 s GLY 13 Ca 0.56 -1.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 3ia0 s GLY 13 CO 0.42 -0.54 0.09 0.54 0.00 0.00 0.00 173.10 173.60 3ia0 s LYS 14 N -5.40 2.18 -0.22 2.90 1.02 -1.26 -2.91 119.74 116.06 3ia0 s LYS 14 Ca 0.64 -1.53 -0.18 0.00 0.02 0.00 0.00 55.97 54.92 3ia0 s LYS 14 Cb -0.09 -3.35 0.06 0.00 -0.52 0.00 0.00 37.83 33.94 3ia0 s LYS 14 CO 0.47 -0.82 0.56 -1.14 -0.92 0.00 0.00 175.35 173.50 3ia0 s GLN 15 N 1.18 0.63 -0.44 1.68 0.74 -0.59 -1.58 119.66 121.27 3ia0 s GLN 15 Ca 0.02 0.85 -0.17 0.00 0.05 0.00 0.00 55.36 56.10 3ia0 s GLN 15 Cb -0.21 0.25 0.03 0.00 1.10 0.00 0.00 33.01 34.18 3ia0 s GLN 15 CO -0.03 -0.10 0.47 0.08 -0.55 0.00 0.00 175.29 175.16 3ia0 s VAL 16 N 0.65 5.07 -0.04 1.34 1.01 0.35 -1.69 120.40 127.10 3ia0 s VAL 16 Ca -0.03 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 3ia0 s VAL 16 Cb -0.05 -4.10 -0.29 0.00 0.00 0.00 0.00 36.38 31.94 3ia0 s VAL 16 CO -0.04 -0.52 0.70 0.74 0.00 0.00 0.00 175.10 175.99 3ia0 h THR 17 N 5.76 0.98 -3.06 3.92 2.02 -1.72 -3.26 112.91 117.54 3ia0 h THR 17 Ca -0.27 -2.59 -0.12 0.00 0.77 0.00 0.00 66.41 64.20 3ia0 h THR 17 Cb 1.11 2.73 -0.20 0.00 -1.74 0.00 0.00 68.15 70.05 3ia0 h THR 17 CO 0.84 0.84 -0.29 -1.48 0.37 0.00 0.00 175.52 175.79 3ia0 s LEU 18 N -7.14 0.90 -0.30 2.58 0.05 -1.25 -4.86 118.68 108.65 3ia0 s LEU 18 Ca -0.14 0.10 -0.03 0.00 0.05 0.00 0.00 54.13 54.10 3ia0 s LEU 18 Cb 0.06 1.22 0.11 0.00 -2.05 0.00 0.00 46.19 45.52 3ia0 s LEU 18 CO 0.85 -0.42 0.15 0.00 -0.55 0.00 0.00 176.35 176.37 3ia0 s ALA 19 N -1.25 0.69 -0.05 1.48 0.00 -1.25 -2.37 121.76 119.00 3ia0 s ALA 19 Ca -0.13 -1.25 0.06 0.00 0.00 0.00 0.00 51.96 50.64 3ia0 s ALA 19 Cb -0.05 -1.43 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 3ia0 s ALA 19 CO 0.04 -1.74 -0.23 -1.58 0.00 0.00 0.00 175.76 172.24 3ia0 s HIS 20 N 1.89 2.47 -0.15 0.00 5.04 0.53 -1.51 115.29 123.56 3ia0 s HIS 20 Ca 0.11 -0.60 -0.07 0.00 -1.54 0.00 0.00 55.06 52.96 3ia0 s HIS 20 Cb -0.17 -1.60 -0.04 0.00 0.04 0.00 0.00 32.58 30.80 3ia0 s HIS 20 CO -0.29 -0.14 0.09 -1.17 -2.34 0.00 0.00 174.74 170.89 3ia0 s LEU 21 N -0.28 4.03 -0.35 8.88 1.98 0.16 -0.62 118.68 132.49 3ia0 s LEU 21 Ca 0.00 0.23 0.01 0.00 -2.89 0.00 0.00 54.13 51.48 3ia0 s LEU 21 Cb -0.13 -2.00 0.11 0.00 0.66 0.00 0.00 46.19 44.83 3ia0 s LEU 21 CO 0.03 0.27 0.12 -0.63 -1.89 0.00 0.00 176.35 174.25 3ia0 s ILE 22 N -0.21 1.27 0.20 6.68 1.01 0.75 -0.05 121.20 130.85 3ia0 s ILE 22 Ca 0.09 -1.84 -0.27 0.00 0.00 0.00 0.00 60.65 58.63 3ia0 s ILE 22 Cb -0.12 -1.94 -0.08 0.00 0.01 0.00 0.00 42.46 40.33 3ia0 s ILE 22 CO 0.01 -0.71 0.84 0.00 0.00 0.00 0.00 174.94 175.08 3ia0 s ALA 23 N 1.20 3.40 -0.88 9.38 0.00 -0.90 -1.43 121.76 132.53 3ia0 s ALA 23 Ca 0.12 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 3ia0 s ALA 23 Cb -0.19 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3ia0 s ALA 23 CO -0.16 0.26 0.79 0.72 0.00 0.00 0.00 175.76 177.37 3ia0 n HIS 24 N 1.51 -2.72 0.10 0.00 8.25 -1.26 -4.24 115.22 116.86 3ia0 n HIS 24 Ca -0.04 1.00 -0.05 0.00 -0.26 0.00 0.00 57.72 58.37 3ia0 n HIS 24 Cb 0.48 -4.08 0.07 0.00 1.12 0.00 0.00 29.99 27.59 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 -0.27 0.09 0.00 -0.41 0.11 -1.81 -3.45 132.00 126.28 3ia0 h PRO 25 Ca -0.29 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3ia0 h PRO 25 Cb 1.15 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ia0 h PRO 25 CO 0.36 0.79 0.00 0.41 -0.21 0.00 0.00 178.00 179.36 3ia0 n GLY 26 N 0.58 0.74 0.27 -0.55 0.00 -1.26 -4.47 105.19 100.50 3ia0 n GLY 26 Ca -0.02 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.23 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 0.78 0.40 1.61 4.81 -1.98 -1.68 114.58 118.53 3ia0 h GLU 27 Ca 0.00 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3ia0 h GLU 27 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3ia0 h GLU 27 CO 0.00 0.89 -0.19 1.49 -0.73 0.00 0.00 179.01 180.46 3ia0 h GLU 28 N 0.70 -0.52 -0.62 1.92 4.81 -1.99 0.31 114.58 119.18 3ia0 h GLU 28 Ca 0.11 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 3ia0 h GLU 28 Cb 0.64 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 3ia0 h GLU 28 CO 0.04 -0.28 0.41 1.25 -0.73 0.00 0.00 179.01 179.70 3ia0 h LEU 29 N -0.66 0.70 -0.71 1.64 5.85 -1.78 -1.46 115.31 118.90 3ia0 h LEU 29 Ca -0.06 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3ia0 h LEU 29 Cb 0.48 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3ia0 h LEU 29 CO 0.09 0.50 0.41 0.00 -0.34 0.00 0.00 178.44 179.10 3ia0 h ALA 30 N 1.24 0.96 -0.18 1.25 0.00 -1.16 0.46 119.26 121.82 3ia0 h ALA 30 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3ia0 h ALA 30 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ia0 h ALA 30 CO -0.06 0.10 0.06 -0.22 0.00 0.00 0.00 179.25 179.14 3ia0 h LYS 31 N 0.75 0.28 -0.44 0.00 3.64 -0.55 0.29 116.57 120.55 3ia0 h LYS 31 Ca 0.32 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.69 3ia0 h LYS 31 Cb 0.18 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3ia0 h LYS 31 CO -0.18 0.38 0.17 0.87 -2.27 0.00 0.00 179.45 178.42 3ia0 h LYS 32 N 0.13 0.34 0.00 1.90 1.79 -0.81 -2.80 116.57 117.12 3ia0 h LYS 32 Ca 0.06 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 3ia0 h LYS 32 Cb 0.21 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3ia0 h LYS 32 CO -0.00 0.22 -0.40 0.82 -1.08 0.00 0.00 179.45 179.01 3ia0 h ILE 33 N 0.35 0.98 -0.80 1.86 2.04 -0.68 -3.47 117.51 117.78 3ia0 h ILE 33 Ca 0.20 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3ia0 h ILE 33 Cb 0.18 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 3ia0 h ILE 33 CO -0.19 0.39 0.00 0.61 0.00 0.00 0.00 178.15 178.96 3ia0 n GLY 34 N 0.16 0.91 3.31 5.37 0.00 0.03 -5.01 105.19 109.96 3ia0 n GLY 34 Ca -0.01 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.68 1.14 0.68 1.61 -7.23 -0.84 -4.86 120.40 108.22 3ia0 s VAL 35 Ca 0.00 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 3ia0 s VAL 35 Cb 0.00 -2.19 0.01 0.00 0.56 0.00 0.00 36.38 34.77 3ia0 s VAL 35 CO 0.00 -0.46 1.21 -2.84 -0.31 0.00 0.00 175.10 172.70 3ia0 s PRO 36 N -3.81 2.44 0.64 4.82 0.02 -1.26 -4.43 135.00 133.42 3ia0 s PRO 36 Ca 0.25 1.78 -0.08 0.00 0.02 0.00 0.00 61.00 62.97 3ia0 s PRO 36 Cb 0.04 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.71 3ia0 s PRO 36 CO 0.06 -1.61 0.98 0.34 -0.33 0.00 0.00 177.00 176.45 3ia0 s ASP 37 N -1.89 5.51 -1.05 2.53 2.15 -1.26 -4.26 116.67 118.41 3ia0 s ASP 37 Ca 0.76 0.88 0.00 0.00 0.43 0.00 0.00 52.55 54.62 3ia0 s ASP 37 Cb -0.30 -1.78 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3ia0 s ASP 37 CO 0.41 -1.19 0.00 0.00 -0.17 0.00 0.00 175.17 174.22 3ia0 n ALA 38 N -2.77 -0.19 -2.67 3.66 0.00 -1.26 -5.01 120.51 112.27 3ia0 n ALA 38 Ca 0.06 0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.46 3ia0 n ALA 38 Cb 0.57 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.41 1.13 0.89 0.00 -7.23 -1.26 -5.01 120.40 106.51 3ia0 s VAL 39 Ca 0.00 -1.36 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 3ia0 s VAL 39 Cb 0.00 -1.13 0.12 0.00 0.56 0.00 0.00 36.38 35.93 3ia0 s VAL 39 CO 0.00 -0.25 1.10 0.00 -0.31 0.00 0.00 175.10 175.64 3ia0 s ALA 40 N -1.40 1.67 -0.02 1.32 0.00 0.24 -4.52 121.76 119.05 3ia0 s ALA 40 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 3ia0 s ALA 40 Cb -0.09 -3.14 0.02 0.00 0.00 0.00 0.00 23.12 19.91 3ia0 s ALA 40 CO 0.02 -2.25 0.05 0.42 0.00 0.00 0.00 175.76 174.00 3ia0 s ILE 41 N -3.04 -0.03 -0.12 0.00 1.01 -0.51 -2.62 121.20 115.88 3ia0 s ILE 41 Ca 0.63 0.11 -0.01 0.00 0.00 0.00 0.00 60.65 61.38 3ia0 s ILE 41 Cb -0.17 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.19 3ia0 s ILE 41 CO 0.56 0.04 -0.08 -0.83 0.00 0.00 0.00 174.94 174.63 3ia0 s GLY 42 N 0.58 1.64 -0.11 6.18 0.00 0.03 -0.18 107.32 115.46 3ia0 s GLY 42 Ca -0.05 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3ia0 s GLY 42 CO -0.02 -0.25 -0.16 -0.42 0.00 0.00 0.00 173.10 172.24 3ia0 s ILE 43 N 0.10 1.56 -0.02 0.90 1.01 0.21 -1.85 121.20 123.11 3ia0 s ILE 43 Ca -0.03 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.95 3ia0 s ILE 43 Cb -0.14 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.92 3ia0 s ILE 43 CO 0.04 0.45 -0.08 -0.04 0.00 0.00 0.00 174.94 175.31 3ia0 s MET 44 N 0.90 0.81 -0.12 2.79 -1.94 -1.00 -0.35 119.30 120.40 3ia0 s MET 44 Ca -0.08 -0.27 -0.02 0.00 -1.71 0.00 0.00 55.69 53.61 3ia0 s MET 44 Cb -0.15 -0.77 -0.03 0.00 2.01 0.00 0.00 34.83 35.89 3ia0 s MET 44 CO -0.00 0.11 -0.04 0.95 -0.01 0.00 0.00 175.02 176.02 3ia0 s THR 45 N 0.14 3.86 0.03 2.05 -4.23 -1.00 -2.45 115.64 114.05 3ia0 s THR 45 Ca -0.02 -0.39 0.03 0.00 -1.18 0.00 0.00 61.69 60.13 3ia0 s THR 45 Cb -0.07 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 3ia0 s THR 45 CO 0.00 0.54 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.76 3ia0 s LEU 46 N -0.15 2.17 -0.04 4.79 1.43 -0.62 -2.12 118.68 124.14 3ia0 s LEU 46 Ca 0.03 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 3ia0 s LEU 46 Cb -0.13 -0.38 0.02 0.00 0.03 0.00 0.00 46.19 45.73 3ia0 s LEU 46 CO 0.03 -0.04 -0.06 -0.89 0.23 0.00 0.00 176.35 175.62 3ia0 s THR 47 N -0.88 0.60 1.03 5.49 2.01 -0.68 -4.15 115.64 119.06 3ia0 s THR 47 Ca -0.02 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 3ia0 s THR 47 Cb -0.07 -0.60 0.21 0.00 0.01 0.00 0.00 72.50 72.04 3ia0 s THR 47 CO 0.01 0.23 1.18 -2.16 -0.69 0.00 0.00 174.62 173.19 3ia0 s PRO 48 N 0.76 0.18 0.46 4.92 0.04 -1.15 -1.55 135.00 138.67 3ia0 s PRO 48 Ca -0.11 -0.02 0.14 0.00 0.04 0.00 0.00 61.00 61.05 3ia0 s PRO 48 Cb -0.14 -1.76 1.10 0.00 0.04 0.00 0.00 34.50 33.75 3ia0 s PRO 48 CO 0.01 -2.78 2.05 0.78 0.04 0.00 0.00 177.00 177.09 3ia0 h GLY 49 N -1.91 0.34 2.00 0.56 0.00 -1.78 -1.55 103.07 100.73 3ia0 h GLY 49 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3ia0 h GLY 49 CO 0.46 0.09 0.00 1.18 0.00 0.00 0.00 176.54 178.27 3ia0 n GLU 50 N -4.48 0.15 0.31 4.80 4.71 -1.21 -2.61 120.64 122.31 3ia0 n GLU 50 Ca 0.05 0.43 0.19 0.00 -0.01 0.00 0.00 57.16 57.82 3ia0 n GLU 50 Cb 0.25 -1.81 1.00 0.00 -1.01 0.00 0.00 31.44 29.87 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 0.15 -0.06 2.62 2.02 -1.62 -2.73 112.91 113.28 3ia0 h THR 51 Ca 0.00 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 3ia0 h THR 51 Cb 0.28 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3ia0 h THR 51 CO 0.00 0.02 -0.13 0.00 0.37 0.00 0.00 175.52 175.78 3ia0 h ALA 52 N 1.98 1.67 -0.32 6.16 0.00 -1.72 0.60 119.26 127.63 3ia0 h ALA 52 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3ia0 h ALA 52 Cb 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ia0 h ALA 52 CO 0.00 0.25 -0.43 0.52 0.00 0.00 0.00 179.25 179.59 3ia0 h MET 53 N 0.09 0.86 -0.11 0.00 2.86 -1.74 -0.01 114.93 116.89 3ia0 h MET 53 Ca 0.02 -0.49 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 3ia0 h MET 53 Cb 0.29 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 3ia0 h MET 53 CO 0.02 1.13 0.00 0.82 1.06 0.00 0.00 176.91 179.94 3ia0 h ILE 54 N 0.64 1.25 -0.93 -1.22 2.04 -1.53 -2.01 117.51 115.75 3ia0 h ILE 54 Ca 0.04 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 3ia0 h ILE 54 Cb 1.03 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 3ia0 h ILE 54 CO 0.10 0.22 0.57 0.00 0.00 0.00 0.00 178.15 179.04 3ia0 h ALA 55 N 0.75 1.25 -0.56 1.87 0.00 -0.94 -1.83 119.26 119.80 3ia0 h ALA 55 Ca 0.03 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3ia0 h ALA 55 Cb 0.34 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3ia0 h ALA 55 CO 0.00 0.65 0.25 0.78 0.00 0.00 0.00 179.25 180.93 3ia0 h GLY 56 N 1.28 0.79 0.84 0.00 0.00 -0.84 0.21 103.07 105.35 3ia0 h GLY 56 Ca 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3ia0 h GLY 56 CO -0.06 0.05 -0.23 -1.80 0.00 0.00 0.00 176.54 174.49 3ia0 h ASP 57 N 0.46 -0.60 -0.04 0.19 3.58 -0.86 -2.52 116.42 116.63 3ia0 h ASP 57 Ca 0.27 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.80 3ia0 h ASP 57 Cb 0.26 0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 3ia0 h ASP 57 CO -0.23 -0.36 -0.23 -0.07 -2.88 0.00 0.00 179.24 175.47 3ia0 h LEU 58 N -0.56 -0.68 -0.71 2.28 3.38 -0.85 -2.46 115.31 115.71 3ia0 h LEU 58 Ca -0.03 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3ia0 h LEU 58 Cb 0.48 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3ia0 h LEU 58 CO 0.01 -0.29 0.45 0.00 0.09 0.00 0.00 178.44 178.70 3ia0 h ALA 59 N 0.55 0.90 -0.78 1.53 0.00 -0.97 -0.98 119.26 119.52 3ia0 h ALA 59 Ca 0.07 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ia0 h ALA 59 Cb 0.44 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3ia0 h ALA 59 CO -0.23 0.35 0.52 -0.07 0.00 0.00 0.00 179.25 179.82 3ia0 h LEU 60 N 0.97 0.86 0.00 0.00 3.38 -1.27 -2.13 115.31 117.12 3ia0 h LEU 60 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ia0 h LEU 60 Cb -0.07 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3ia0 h LEU 60 CO -0.05 0.60 -0.14 0.11 0.09 0.00 0.00 178.44 179.05 3ia0 h LYS 61 N 1.00 0.00 0.07 1.13 1.57 -0.87 -3.35 116.57 116.12 3ia0 h LYS 61 Ca 0.30 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.77 3ia0 h LYS 61 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3ia0 h LYS 61 CO -0.08 0.00 -1.65 0.00 -0.57 0.00 0.00 179.45 177.15 3ia0 h ALA 62 N 2.45 0.49 -2.98 3.86 0.00 -0.52 -3.49 119.26 119.07 3ia0 h ALA 62 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 54.91 53.52 3ia0 h ALA 62 Cb 0.78 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3ia0 h ALA 62 CO 0.00 1.34 0.12 0.00 0.00 0.00 0.00 179.25 180.71 3ia0 s ALA 63 N -2.61 -0.21 -1.32 0.00 0.00 -1.13 -4.70 121.76 111.79 3ia0 s ALA 63 Ca -0.09 -1.03 -0.14 0.00 0.00 0.00 0.00 51.96 50.70 3ia0 s ALA 63 Cb 0.07 0.84 0.10 0.00 0.00 0.00 0.00 23.12 24.13 3ia0 s ALA 63 CO 0.82 -0.92 1.82 -3.47 0.00 0.00 0.00 175.76 174.02 3ia0 n ASP 64 N -1.44 4.76 -4.62 0.00 2.03 -1.26 -4.68 116.55 111.33 3ia0 n ASP 64 Ca -0.05 -2.95 -0.28 0.00 0.52 0.00 0.00 54.79 52.03 3ia0 n ASP 64 Cb 0.60 -1.64 -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 2.65 1.84 0.06 5.18 -7.23 -1.26 -4.62 120.40 117.02 3ia0 s VAL 65 Ca 0.47 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3ia0 s VAL 65 Cb 0.06 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 3ia0 s VAL 65 CO 0.00 0.00 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.72 3ia0 s HIS 66 N -2.77 0.78 -0.44 2.82 3.76 -0.56 -4.87 115.29 114.01 3ia0 s HIS 66 Ca 0.31 -0.63 -0.26 0.00 -0.15 0.00 0.00 55.06 54.33 3ia0 s HIS 66 Cb 0.09 -0.46 0.02 0.00 1.11 0.00 0.00 32.58 33.35 3ia0 s HIS 66 CO 0.16 -0.09 0.95 0.42 -0.85 0.00 0.00 174.74 175.32 3ia0 s ILE 67 N -2.10 4.47 0.02 0.60 1.01 -1.26 -1.10 121.20 122.84 3ia0 s ILE 67 Ca -0.02 0.90 -0.25 0.00 0.00 0.00 0.00 60.65 61.28 3ia0 s ILE 67 Cb -0.05 -4.43 -0.18 0.00 0.01 0.00 0.00 42.46 37.82 3ia0 s ILE 67 CO -0.01 -0.78 1.38 1.23 0.00 0.00 0.00 174.94 176.76 3ia0 h GLY 68 N 10.51 -0.21 -3.13 6.18 0.00 0.02 -3.47 103.07 112.97 3ia0 h GLY 68 Ca -0.24 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.22 3ia0 h GLY 68 CO 1.03 -0.08 0.35 -0.11 0.00 0.00 0.00 176.54 177.72 3ia0 s PHE 69 N -4.94 -0.44 -0.08 5.60 -0.71 -1.04 -4.95 117.98 111.42 3ia0 s PHE 69 Ca -0.15 0.25 -0.00 0.00 -1.04 0.00 0.00 56.93 55.99 3ia0 s PHE 69 Cb 0.03 0.55 0.02 0.00 -1.21 0.00 0.00 43.02 42.42 3ia0 s PHE 69 CO 0.62 -0.72 -0.04 -1.17 -1.34 0.00 0.00 175.22 172.57 3ia0 s LEU 70 N -2.63 0.98 -0.42 -1.99 0.20 -1.26 -1.20 118.68 112.36 3ia0 s LEU 70 Ca 0.03 -0.18 0.02 0.00 0.69 0.00 0.00 54.13 54.69 3ia0 s LEU 70 Cb -0.01 -0.60 0.11 0.00 -0.43 0.00 0.00 46.19 45.26 3ia0 s LEU 70 CO -0.10 -0.13 0.17 -0.62 -0.29 0.00 0.00 176.35 175.37 3ia0 s ASP 71 N 1.62 4.85 0.00 3.68 3.68 0.87 -4.95 116.67 126.42 3ia0 s ASP 71 Ca 0.01 -2.36 0.22 0.00 2.13 0.00 0.00 52.55 52.56 3ia0 s ASP 71 Cb -0.13 -1.70 1.34 0.00 -1.45 0.00 0.00 42.92 40.98 3ia0 s ASP 71 CO -0.05 -0.39 1.74 -2.11 0.13 0.00 0.00 175.17 174.50 3ia0 n ARG 72 N 4.04 0.79 -0.10 4.34 1.85 -1.26 -0.28 116.66 126.03 3ia0 n ARG 72 Ca 0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.74 3ia0 n ARG 72 Cb 0.40 -1.45 -0.05 0.00 -1.05 0.00 0.00 32.46 30.31 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 -0.95 0.18 0.17 2.89 3.01 -1.26 -3.36 117.46 118.13 3ia0 n PHE 73 Ca 0.17 0.08 0.05 0.00 1.01 0.00 0.00 57.45 58.76 3ia0 n PHE 73 Cb 0.08 -0.69 0.11 0.00 -0.01 0.00 0.00 39.48 38.96 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 -3.40 113.55 116.29 3ia0 h SER 74 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3ia0 h SER 74 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3ia0 h SER 74 CO -0.12 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.82 3ia0 n GLY 75 N 1.05 0.73 3.81 -0.77 0.00 0.61 -4.63 105.19 106.00 3ia0 n GLY 75 Ca 0.02 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 3.27 -0.08 4.61 0.00 -0.95 -1.58 121.76 125.02 3ia0 s ALA 76 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.19 3ia0 s ALA 76 Cb 0.00 -2.96 0.04 0.00 0.00 0.00 0.00 23.12 20.20 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 -2.44 0.35 -0.15 0.00 2.96 -1.03 -0.09 118.68 118.28 3ia0 s LEU 77 Ca 0.51 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 3ia0 s LEU 77 Cb -0.14 0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.99 3ia0 s LEU 77 CO 0.19 -0.19 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.14 3ia0 s VAL 78 N 1.62 2.00 0.34 1.68 1.01 -0.34 -2.37 120.40 124.35 3ia0 s VAL 78 Ca -0.05 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.08 3ia0 s VAL 78 Cb -0.12 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3ia0 s VAL 78 CO -0.07 0.54 0.05 0.27 0.00 0.00 0.00 175.10 175.89 3ia0 s ILE 79 N 0.96 2.74 0.21 2.22 -4.36 -0.77 0.75 121.20 122.94 3ia0 s ILE 79 Ca -0.04 -1.89 -0.08 0.00 -0.26 0.00 0.00 60.65 58.39 3ia0 s ILE 79 Cb -0.15 -2.85 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 3ia0 s ILE 79 CO -0.05 -0.19 0.31 -0.72 0.24 0.00 0.00 174.94 174.53 3ia0 s TYR 80 N -2.49 0.64 -5.00 1.37 -0.85 -0.26 -0.79 117.35 109.97 3ia0 s TYR 80 Ca 0.36 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 3ia0 s TYR 80 Cb -0.01 -0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.21 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 -0.30 0.29 3.71 5.49 0.00 -1.08 -1.50 105.19 111.80 3ia0 n GLY 81 Ca -0.02 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 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 3.79 0.28 1.61 1.04 -1.26 -0.59 113.70 114.56 3ia0 s SER 82 Ca 0.00 2.27 -0.02 0.00 0.48 0.00 0.00 55.95 58.68 3ia0 s SER 82 Cb 0.00 -2.58 0.43 0.00 0.10 0.00 0.00 66.02 63.97 3ia0 s SER 82 CO 0.00 -2.53 1.90 0.58 0.98 0.00 0.00 173.24 174.17 3ia0 h VAL 83 N -0.87 1.11 -0.25 5.02 2.07 -1.97 0.13 116.25 121.48 3ia0 h VAL 83 Ca -0.46 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3ia0 h VAL 83 Cb 1.28 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3ia0 h VAL 83 CO 0.47 0.21 -0.11 1.23 0.02 0.00 0.00 177.57 179.39 3ia0 h GLY 84 N 1.16 0.57 0.90 2.17 0.00 -1.99 -1.62 103.07 104.26 3ia0 h GLY 84 Ca 0.41 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 3ia0 h GLY 84 CO -0.15 0.46 0.10 0.00 0.00 0.00 0.00 176.54 176.95 3ia0 h ALA 85 N 0.73 0.34 -0.74 3.60 0.00 -1.82 -1.81 119.26 119.56 3ia0 h ALA 85 Ca 0.06 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ia0 h ALA 85 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3ia0 h ALA 85 CO 0.04 -0.04 0.27 0.28 0.00 0.00 0.00 179.25 179.79 3ia0 h VAL 86 N 0.27 1.25 -0.49 0.00 2.07 -1.02 -0.51 116.25 117.82 3ia0 h VAL 86 Ca 0.09 -0.83 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 3ia0 h VAL 86 Cb 0.21 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3ia0 h VAL 86 CO -0.01 0.33 -0.00 -0.08 0.02 0.00 0.00 177.57 177.84 3ia0 h GLU 87 N 1.09 0.87 -0.15 1.57 4.81 -1.10 -0.80 114.58 120.87 3ia0 h GLU 87 Ca 0.25 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3ia0 h GLU 87 Cb 0.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3ia0 h GLU 87 CO -0.02 0.91 -0.16 1.49 -0.73 0.00 0.00 179.01 180.50 3ia0 h GLU 88 N 0.73 0.36 -0.63 1.92 4.57 -1.16 -1.22 114.58 119.15 3ia0 h GLU 88 Ca 0.14 -0.20 0.10 0.00 -1.18 0.00 0.00 59.36 58.22 3ia0 h GLU 88 Cb 0.52 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.04 3ia0 h GLU 88 CO 0.03 0.76 0.24 0.00 -1.18 0.00 0.00 179.01 178.86 3ia0 h ALA 89 N 0.60 0.83 0.39 2.92 0.00 -1.00 0.19 119.26 123.19 3ia0 h ALA 89 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ia0 h ALA 89 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3ia0 h ALA 89 CO 0.04 -0.19 -0.19 -0.07 0.00 0.00 0.00 179.25 178.85 3ia0 h LEU 90 N 0.42 -0.44 -0.32 0.00 3.38 -1.05 -1.38 115.31 115.93 3ia0 h LEU 90 Ca 0.32 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.30 3ia0 h LEU 90 Cb 0.41 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.20 3ia0 h LEU 90 CO -0.32 -0.20 -0.13 -1.28 0.09 0.00 0.00 178.44 176.60 3ia0 h SER 91 N -0.66 -0.44 -0.65 -0.43 0.87 -0.81 -2.12 113.55 109.30 3ia0 h SER 91 Ca -0.05 0.11 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3ia0 h SER 91 Cb 0.48 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.66 3ia0 h SER 91 CO 0.09 -0.16 0.40 1.56 -0.53 0.00 0.00 176.83 178.18 3ia0 h GLN 92 N -0.07 0.88 -0.55 2.24 1.08 -0.59 -2.88 115.11 115.22 3ia0 h GLN 92 Ca 0.16 -0.08 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 3ia0 h GLN 92 Cb 0.31 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3ia0 h GLN 92 CO -0.37 0.63 -0.03 1.15 -0.95 0.00 0.00 178.83 179.26 3ia0 h THR 93 N 0.89 1.26 0.10 -0.54 2.02 -0.75 0.16 112.91 116.05 3ia0 h THR 93 Ca 0.23 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.26 3ia0 h THR 93 Cb -0.03 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3ia0 h THR 93 CO -0.04 0.41 -0.05 0.58 0.37 0.00 0.00 175.52 176.79 3ia0 h VAL 94 N 0.89 1.02 -0.74 3.16 2.07 -1.31 -2.10 116.25 119.25 3ia0 h VAL 94 Ca 0.16 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3ia0 h VAL 94 Cb 0.56 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 3ia0 h VAL 94 CO 0.03 0.12 0.35 0.77 0.02 0.00 0.00 177.57 178.86 3ia0 h SER 95 N -0.35 0.95 -0.65 0.57 4.64 -1.40 -2.42 113.55 114.88 3ia0 h SER 95 Ca -0.01 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3ia0 h SER 95 Cb 0.30 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 3ia0 h SER 95 CO 0.02 0.80 0.39 1.23 -0.87 0.00 0.00 176.83 178.40 3ia0 h GLY 96 N 1.10 0.96 1.12 -0.77 0.00 -0.86 -0.39 103.07 104.23 3ia0 h GLY 96 Ca 0.26 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.99 3ia0 h GLY 96 CO -0.03 0.39 -0.61 1.41 0.00 0.00 0.00 176.54 177.69 3ia0 h LEU 97 N 0.92 0.93 -1.09 3.11 3.38 -0.92 0.80 115.31 122.43 3ia0 h LEU 97 Ca 0.24 -0.57 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 3ia0 h LEU 97 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3ia0 h LEU 97 CO -0.04 1.34 -0.41 1.23 0.09 0.00 0.00 178.44 180.65 3ia0 h GLY 98 N 0.56 0.10 0.06 0.83 0.00 -1.25 -0.43 103.07 102.94 3ia0 h GLY 98 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3ia0 h GLY 98 CO 0.13 0.08 -0.03 -0.09 0.00 0.00 0.00 176.54 176.64 3ia0 h ARG 99 N 0.08 -0.08 -0.33 4.80 2.43 -0.96 -1.51 114.38 118.80 3ia0 h ARG 99 Ca 0.01 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 3ia0 h ARG 99 Cb 0.75 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 3ia0 h ARG 99 CO 0.06 -0.06 -0.15 -0.07 -1.51 0.00 0.00 179.97 178.24 3ia0 h LEU 100 N -0.90 0.58 -0.93 3.80 3.38 -0.93 -3.34 115.31 116.97 3ia0 h LEU 100 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ia0 h LEU 100 Cb 0.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3ia0 h LEU 100 CO 0.01 0.75 0.00 0.18 0.09 0.00 0.00 178.44 179.48 3ia0 n LEU 101 N -4.17 0.79 -3.74 1.67 4.77 -0.24 -5.02 117.00 111.05 3ia0 n LEU 101 Ca 0.01 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 54.96 3ia0 n LEU 101 Cb 0.36 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3ia0 n LEU 101 CO 0.42 0.20 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.46 3ia0 n ASN 102 N -0.05 -2.26 -4.80 -1.43 5.15 -0.57 -4.92 115.26 106.39 3ia0 n ASN 102 Ca 0.00 -0.80 -0.32 0.00 -0.60 0.00 0.00 54.58 52.87 3ia0 n ASN 102 Cb 0.11 -4.08 0.05 0.00 -0.53 0.00 0.00 39.78 35.34 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 -3.56 2.93 -0.04 1.20 4.12 -1.11 -4.93 117.35 115.96 3ia0 s TYR 103 Ca 0.19 1.48 -0.30 0.00 0.02 0.00 0.00 57.07 58.46 3ia0 s TYR 103 Cb -0.09 -2.97 -0.04 0.00 -1.52 0.00 0.00 41.96 37.35 3ia0 s TYR 103 CO 0.81 -1.37 1.21 0.99 0.02 0.00 0.00 175.55 177.21 3ia0 s THR 104 N -2.83 4.22 0.51 -0.71 2.01 -0.62 -4.59 115.64 113.63 3ia0 s THR 104 Ca 0.61 1.55 0.07 0.00 0.31 0.00 0.00 61.69 64.22 3ia0 s THR 104 Cb -0.16 -4.00 0.03 0.00 0.01 0.00 0.00 72.50 68.39 3ia0 s THR 104 CO 0.50 0.01 0.47 -0.76 -0.69 0.00 0.00 174.62 174.16 3ia0 s LEU 105 N 2.10 2.97 0.00 4.42 1.02 -1.26 -0.49 118.68 127.44 3ia0 s LEU 105 Ca 0.56 -1.03 0.05 0.00 0.02 0.00 0.00 54.13 53.73 3ia0 s LEU 105 Cb -0.25 -1.51 -0.02 0.00 0.02 0.00 0.00 46.19 44.43 3ia0 s LEU 105 CO 0.23 -1.03 0.19 0.00 0.02 0.00 0.00 176.35 175.77 3ia0 s GLU 107 N -3.49 4.02 0.30 0.00 0.41 -1.26 -5.00 118.70 113.67 3ia0 s GLU 107 Ca 0.27 0.56 -0.28 0.00 -0.41 0.00 0.00 54.97 55.11 3ia0 s GLU 107 Cb 0.01 -2.84 -0.09 0.00 -1.78 0.00 0.00 34.13 29.42 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 -2.15 4.61 0.21 1.61 -2.45 -1.26 -4.29 119.30 115.57 3ia0 s MET 108 Ca 0.41 1.56 0.04 0.00 -1.25 0.00 0.00 55.69 56.45 3ia0 s MET 108 Cb -0.14 -3.02 -0.05 0.00 1.25 0.00 0.00 34.83 32.87 3ia0 s MET 108 CO 0.20 0.25 -0.04 0.95 1.05 0.00 0.00 175.02 177.43 3ia0 s THR 109 N -1.35 1.11 -0.03 10.11 -4.23 -0.57 -5.03 115.64 115.65 3ia0 s THR 109 Ca 0.47 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.78 3ia0 s THR 109 Cb -0.26 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3ia0 s THR 109 CO 0.32 -0.45 0.33 -1.59 -0.54 0.00 0.00 174.62 172.70 3ia0 s LYS 110 N -3.82 0.65 -0.10 3.99 0.00 -1.26 0.36 119.74 119.56 3ia0 s LYS 110 Ca 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 55.97 56.18 3ia0 s LYS 110 Cb 0.05 0.29 0.01 0.00 0.00 0.00 0.00 37.83 38.18 3ia0 s LYS 110 CO 0.06 -0.17 -0.16 -1.12 0.00 0.00 0.00 175.35 173.96 3ia0 s SER 111 N -1.09 2.43 0.10 0.03 0.01 0.92 -4.93 113.70 111.18 3ia0 s SER 111 Ca -0.11 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.76 3ia0 s SER 111 Cb -0.05 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 3ia0 s SER 111 CO 0.04 0.05 -0.12 -0.76 0.41 0.00 0.00 173.24 172.86 3ia0 s LEU 112 N 0.77 2.37 0.00 2.44 1.43 -1.26 -2.12 118.68 122.31 3ia0 s LEU 112 Ca -0.11 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 3ia0 s LEU 112 Cb -0.16 -0.44 0.00 0.00 0.03 0.00 0.00 46.19 45.62 3ia0 s LEU 112 CO 0.02 -0.18 0.00 -0.62 0.23 0.00 0.00 176.35 175.80