#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 0.99 -0.22 1.97 2.02 -1.26 -5.13 118.70 117.07 3ia0 s GLU 4 Ca 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.58 3ia0 s GLU 4 Cb 0.00 -0.92 -0.03 0.00 0.10 0.00 0.00 34.13 33.28 3ia0 s GLU 4 CO 0.00 0.16 0.04 1.03 0.02 0.00 0.00 175.26 176.51 3ia0 s ARG 5 N 0.04 3.69 -0.02 1.61 0.52 -1.26 -5.09 118.95 118.44 3ia0 s ARG 5 Ca -0.01 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 54.79 3ia0 s ARG 5 Cb -0.07 -3.20 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 3ia0 s ARG 5 CO 0.00 -0.03 -0.22 0.42 0.02 0.00 0.00 175.30 175.49 3ia0 s ILE 6 N 1.16 1.77 -0.01 1.52 -1.09 -1.26 -5.12 121.20 118.16 3ia0 s ILE 6 Ca 0.04 -0.95 -0.18 0.00 -2.23 0.00 0.00 60.65 57.33 3ia0 s ILE 6 Cb -0.14 -1.48 -0.05 0.00 -1.58 0.00 0.00 42.46 39.21 3ia0 s ILE 6 CO 0.02 0.50 0.52 -0.63 -1.23 0.00 0.00 174.94 174.12 3ia0 s ILE 7 N -0.42 4.96 -0.23 2.92 1.01 -1.26 -5.06 121.20 123.12 3ia0 s ILE 7 Ca 0.06 1.08 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 3ia0 s ILE 7 Cb -0.10 -3.85 0.07 0.00 0.01 0.00 0.00 42.46 38.60 3ia0 s ILE 7 CO 0.00 0.47 0.03 -1.10 0.00 0.00 0.00 174.94 174.34 3ia0 s GLN 8 N -0.42 0.84 -0.33 2.79 -0.21 -1.26 -5.08 119.66 115.98 3ia0 s GLN 8 Ca 0.28 -0.66 -0.29 0.00 0.02 0.00 0.00 55.36 54.71 3ia0 s GLN 8 Cb -0.17 -2.17 0.01 0.00 1.00 0.00 0.00 33.01 31.68 3ia0 s GLN 8 CO 0.15 -0.71 1.18 -1.21 -2.12 0.00 0.00 175.29 172.58 3ia0 s GLU 9 N 1.73 3.96 0.08 2.91 2.02 -1.26 -5.01 118.70 123.12 3ia0 s GLU 9 Ca 0.00 1.07 -0.13 0.00 0.02 0.00 0.00 54.97 55.94 3ia0 s GLU 9 Cb -0.17 -3.82 -0.06 0.00 0.10 0.00 0.00 34.13 30.18 3ia0 s GLU 9 CO -0.11 -1.06 0.45 -0.59 0.02 0.00 0.00 175.26 173.97 3ia0 s PHE 10 N 4.06 3.64 0.02 1.61 -0.12 -1.26 -5.09 117.98 120.83 3ia0 s PHE 10 Ca 0.50 0.94 -0.10 0.00 -0.05 0.00 0.00 56.93 58.22 3ia0 s PHE 10 Cb -0.13 -2.27 0.01 0.00 -0.63 0.00 0.00 43.02 40.00 3ia0 s PHE 10 CO 0.21 0.53 0.21 0.14 -0.05 0.00 0.00 175.22 176.25 3ia0 s VAL 11 N -1.33 0.09 0.38 -2.49 -7.23 -1.26 -5.15 120.40 103.41 3ia0 s VAL 11 Ca 0.32 -0.74 -0.26 0.00 -1.81 0.00 0.00 61.98 59.48 3ia0 s VAL 11 Cb -0.15 -0.71 -0.09 0.00 0.56 0.00 0.00 36.38 35.99 3ia0 s VAL 11 CO 0.17 -0.41 1.20 -2.84 -0.31 0.00 0.00 175.10 172.91 3ia0 s PRO 12 N -1.96 4.16 0.77 4.82 0.02 -1.26 -5.05 135.00 136.51 3ia0 s PRO 12 Ca -0.10 1.93 -0.08 0.00 0.02 0.00 0.00 61.00 62.77 3ia0 s PRO 12 Cb -0.04 -2.81 0.10 0.00 0.02 0.00 0.00 34.50 31.78 3ia0 s PRO 12 CO -0.01 -0.25 1.10 0.20 -0.33 0.00 0.00 177.00 177.71 3ia0 s GLY 13 N -0.96 1.71 -0.33 0.52 0.00 -1.26 -4.91 107.32 102.10 3ia0 s GLY 13 Ca 0.54 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.16 3ia0 s GLY 13 CO 0.42 -0.57 0.05 0.54 0.00 0.00 0.00 173.10 173.54 3ia0 s LYS 14 N -5.41 2.20 -0.22 2.90 1.02 -1.25 -2.80 119.74 116.19 3ia0 s LYS 14 Ca 0.64 -1.48 -0.18 0.00 0.02 0.00 0.00 55.97 54.97 3ia0 s LYS 14 Cb -0.08 -3.27 0.06 0.00 -0.52 0.00 0.00 37.83 34.02 3ia0 s LYS 14 CO 0.47 -0.77 0.57 -1.14 -0.92 0.00 0.00 175.35 173.56 3ia0 s GLN 15 N 1.18 0.65 -0.44 1.68 0.74 -0.45 -1.82 119.66 121.19 3ia0 s GLN 15 Ca -0.00 0.86 -0.17 0.00 0.05 0.00 0.00 55.36 56.09 3ia0 s GLN 15 Cb -0.20 0.26 0.03 0.00 1.10 0.00 0.00 33.01 34.20 3ia0 s GLN 15 CO -0.03 -0.10 0.46 0.08 -0.55 0.00 0.00 175.29 175.16 3ia0 s VAL 16 N 0.60 5.07 -0.03 1.34 1.01 0.25 -1.55 120.40 127.10 3ia0 s VAL 16 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3ia0 s VAL 16 Cb -0.05 -4.09 -0.29 0.00 0.00 0.00 0.00 36.38 31.95 3ia0 s VAL 16 CO -0.03 -0.50 0.75 0.74 0.00 0.00 0.00 175.10 176.05 3ia0 h THR 17 N 5.75 1.02 -2.95 3.92 2.02 -1.73 -3.27 112.91 117.68 3ia0 h THR 17 Ca -0.27 -2.65 -0.11 0.00 0.77 0.00 0.00 66.41 64.15 3ia0 h THR 17 Cb 1.11 2.74 -0.20 0.00 -1.74 0.00 0.00 68.15 70.05 3ia0 h THR 17 CO 0.83 0.83 -0.24 -1.48 0.37 0.00 0.00 175.52 175.83 3ia0 s LEU 18 N -7.08 0.73 -0.31 2.58 0.05 -1.25 -4.87 118.68 108.52 3ia0 s LEU 18 Ca -0.12 0.17 -0.03 0.00 0.05 0.00 0.00 54.13 54.20 3ia0 s LEU 18 Cb 0.06 1.36 0.11 0.00 -2.05 0.00 0.00 46.19 45.67 3ia0 s LEU 18 CO 0.85 -0.44 0.17 0.00 -0.55 0.00 0.00 176.35 176.38 3ia0 s ALA 19 N -1.23 0.60 -0.05 1.48 0.00 -1.24 -2.23 121.76 119.09 3ia0 s ALA 19 Ca -0.13 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.66 3ia0 s ALA 19 Cb -0.05 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 3ia0 s ALA 19 CO 0.04 -1.79 -0.25 -1.58 0.00 0.00 0.00 175.76 172.19 3ia0 s HIS 20 N 1.83 2.42 -0.14 0.00 5.04 0.61 -1.61 115.29 123.44 3ia0 s HIS 20 Ca 0.12 -0.62 -0.06 0.00 -1.54 0.00 0.00 55.06 52.96 3ia0 s HIS 20 Cb -0.18 -1.57 -0.04 0.00 0.04 0.00 0.00 32.58 30.83 3ia0 s HIS 20 CO -0.26 -0.15 0.08 -1.17 -2.34 0.00 0.00 174.74 170.90 3ia0 s LEU 21 N -0.31 3.97 -0.34 8.88 1.98 0.16 -0.42 118.68 132.59 3ia0 s LEU 21 Ca 0.01 0.22 0.00 0.00 -2.89 0.00 0.00 54.13 51.48 3ia0 s LEU 21 Cb -0.13 -1.97 0.11 0.00 0.66 0.00 0.00 46.19 44.86 3ia0 s LEU 21 CO 0.02 0.29 0.13 -0.63 -1.89 0.00 0.00 176.35 174.27 3ia0 s ILE 22 N -0.34 1.13 0.18 6.68 1.01 0.92 -0.16 121.20 130.62 3ia0 s ILE 22 Ca 0.09 -1.76 -0.26 0.00 0.00 0.00 0.00 60.65 58.73 3ia0 s ILE 22 Cb -0.12 -1.84 -0.08 0.00 0.01 0.00 0.00 42.46 40.43 3ia0 s ILE 22 CO 0.02 -0.72 0.80 0.00 0.00 0.00 0.00 174.94 175.03 3ia0 s ALA 23 N 1.25 3.43 -0.93 9.38 0.00 -0.90 -1.16 121.76 132.84 3ia0 s ALA 23 Ca 0.12 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 3ia0 s ALA 23 Cb -0.19 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3ia0 s ALA 23 CO -0.17 0.28 0.84 0.72 0.00 0.00 0.00 175.76 177.43 3ia0 n HIS 24 N 1.54 -2.66 0.12 0.00 8.25 -1.26 -4.27 115.22 116.93 3ia0 n HIS 24 Ca -0.05 0.96 -0.03 0.00 -0.26 0.00 0.00 57.72 58.34 3ia0 n HIS 24 Cb 0.49 -4.12 0.13 0.00 1.12 0.00 0.00 29.99 27.60 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 -0.50 0.07 0.00 -0.41 0.11 -1.81 -3.45 132.00 126.01 3ia0 h PRO 25 Ca -0.38 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3ia0 h PRO 25 Cb 1.19 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ia0 h PRO 25 CO 0.39 0.70 0.00 0.41 -0.21 0.00 0.00 178.00 179.29 3ia0 n GLY 26 N 0.37 0.51 0.28 -0.55 0.00 -1.26 -4.46 105.19 100.08 3ia0 n GLY 26 Ca -0.02 -1.67 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 0.80 0.24 1.61 4.81 -1.98 -1.54 114.58 118.52 3ia0 h GLU 27 Ca 0.00 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 58.98 3ia0 h GLU 27 Cb 0.00 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3ia0 h GLU 27 CO 0.00 0.83 -0.12 1.49 -0.73 0.00 0.00 179.01 180.49 3ia0 h GLU 28 N 0.73 -0.32 -0.66 1.92 4.81 -2.00 0.42 114.58 119.49 3ia0 h GLU 28 Ca 0.13 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 3ia0 h GLU 28 Cb 0.52 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 3ia0 h GLU 28 CO 0.03 -0.09 0.40 1.25 -0.73 0.00 0.00 179.01 179.87 3ia0 h LEU 29 N -0.50 0.80 -0.72 1.64 5.85 -1.77 -1.54 115.31 119.06 3ia0 h LEU 29 Ca -0.03 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.67 3ia0 h LEU 29 Cb 0.38 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3ia0 h LEU 29 CO 0.05 0.62 0.43 0.00 -0.34 0.00 0.00 178.44 179.21 3ia0 h ALA 30 N 1.21 0.95 -0.12 1.25 0.00 -1.10 0.14 119.26 121.59 3ia0 h ALA 30 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ia0 h ALA 30 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3ia0 h ALA 30 CO -0.04 0.18 0.05 -0.22 0.00 0.00 0.00 179.25 179.21 3ia0 h LYS 31 N 0.83 0.17 -0.38 0.00 3.64 -0.54 0.34 116.57 120.63 3ia0 h LYS 31 Ca 0.30 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.71 3ia0 h LYS 31 Cb 0.09 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.83 3ia0 h LYS 31 CO -0.14 0.27 0.04 0.87 -2.27 0.00 0.00 179.45 178.22 3ia0 h LYS 32 N 0.04 0.15 0.00 1.90 1.79 -0.89 -2.63 116.57 116.93 3ia0 h LYS 32 Ca 0.04 -0.01 -0.07 0.00 -2.18 0.00 0.00 60.65 58.43 3ia0 h LYS 32 Cb 0.16 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3ia0 h LYS 32 CO -0.00 0.10 -0.31 0.82 -1.08 0.00 0.00 179.45 178.97 3ia0 h ILE 33 N 0.15 0.83 -0.79 1.86 2.04 -0.74 -3.47 117.51 117.40 3ia0 h ILE 33 Ca 0.19 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3ia0 h ILE 33 Cb 0.24 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 3ia0 h ILE 33 CO -0.27 0.31 0.00 0.61 0.00 0.00 0.00 178.15 178.79 3ia0 n GLY 34 N -0.01 0.96 3.31 5.37 0.00 0.05 -5.01 105.19 109.86 3ia0 n GLY 34 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.77 1.12 0.63 1.61 -7.23 -0.84 -4.86 120.40 108.07 3ia0 s VAL 35 Ca 0.00 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 3ia0 s VAL 35 Cb 0.00 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.73 3ia0 s VAL 35 CO 0.00 -0.45 1.20 -2.84 -0.31 0.00 0.00 175.10 172.70 3ia0 s PRO 36 N -3.82 2.74 0.68 4.82 0.02 -1.26 -4.42 135.00 133.77 3ia0 s PRO 36 Ca 0.25 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 62.95 3ia0 s PRO 36 Cb 0.04 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3ia0 s PRO 36 CO 0.06 -1.38 1.05 0.34 -0.33 0.00 0.00 177.00 176.74 3ia0 s ASP 37 N -1.79 5.38 -1.16 2.53 2.15 -1.26 -4.21 116.67 118.31 3ia0 s ASP 37 Ca 0.76 0.95 0.00 0.00 0.43 0.00 0.00 52.55 54.69 3ia0 s ASP 37 Cb -0.29 -1.77 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 3ia0 s ASP 37 CO 0.37 -1.32 0.00 0.00 -0.17 0.00 0.00 175.17 174.05 3ia0 n ALA 38 N -2.91 -0.22 -2.69 3.66 0.00 -1.26 -5.01 120.51 112.08 3ia0 n ALA 38 Ca 0.06 0.16 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 3ia0 n ALA 38 Cb 0.58 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.46 1.12 0.90 0.00 -7.23 -1.26 -5.01 120.40 106.45 3ia0 s VAL 39 Ca 0.00 -1.33 -0.12 0.00 -1.81 0.00 0.00 61.98 58.72 3ia0 s VAL 39 Cb 0.00 -1.10 0.13 0.00 0.56 0.00 0.00 36.38 35.97 3ia0 s VAL 39 CO 0.00 -0.24 1.10 0.00 -0.31 0.00 0.00 175.10 175.65 3ia0 s ALA 40 N -1.34 1.61 -0.00 1.32 0.00 0.11 -4.51 121.76 118.94 3ia0 s ALA 40 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3ia0 s ALA 40 Cb -0.10 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3ia0 s ALA 40 CO 0.02 -2.31 0.00 0.42 0.00 0.00 0.00 175.76 173.90 3ia0 s ILE 41 N -3.02 0.03 -0.10 0.00 1.01 -0.31 -2.74 121.20 116.07 3ia0 s ILE 41 Ca 0.63 0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.31 3ia0 s ILE 41 Cb -0.17 -0.05 -0.02 0.00 0.01 0.00 0.00 42.46 42.23 3ia0 s ILE 41 CO 0.56 0.03 -0.14 -0.83 0.00 0.00 0.00 174.94 174.56 3ia0 s GLY 42 N 0.17 1.53 -0.10 6.18 0.00 -0.08 -0.05 107.32 114.96 3ia0 s GLY 42 Ca -0.01 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.80 3ia0 s GLY 42 CO -0.00 -0.43 -0.15 -0.42 0.00 0.00 0.00 173.10 172.10 3ia0 s ILE 43 N -0.08 1.41 -0.02 0.90 1.01 0.43 -2.09 121.20 122.77 3ia0 s ILE 43 Ca -0.02 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3ia0 s ILE 43 Cb -0.14 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3ia0 s ILE 43 CO 0.04 0.42 -0.08 -0.04 0.00 0.00 0.00 174.94 175.27 3ia0 s MET 44 N 0.91 0.83 -0.11 2.79 -1.94 -1.01 -0.28 119.30 120.48 3ia0 s MET 44 Ca -0.09 -0.29 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 3ia0 s MET 44 Cb -0.15 -0.79 -0.03 0.00 2.01 0.00 0.00 34.83 35.87 3ia0 s MET 44 CO 0.00 0.13 -0.04 0.95 -0.01 0.00 0.00 175.02 176.05 3ia0 s THR 45 N 0.07 3.95 0.02 2.05 -4.23 -0.95 -2.53 115.64 114.03 3ia0 s THR 45 Ca -0.01 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.16 3ia0 s THR 45 Cb -0.07 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 71.08 3ia0 s THR 45 CO 0.00 0.56 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.80 3ia0 s LEU 46 N -0.36 2.13 -0.05 4.79 1.43 -0.61 -2.18 118.68 123.84 3ia0 s LEU 46 Ca 0.06 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3ia0 s LEU 46 Cb -0.12 -0.29 0.02 0.00 0.03 0.00 0.00 46.19 45.82 3ia0 s LEU 46 CO 0.02 -0.04 -0.07 -0.89 0.23 0.00 0.00 176.35 175.60 3ia0 s THR 47 N -0.74 0.74 1.07 5.49 2.01 -0.60 -4.14 115.64 119.47 3ia0 s THR 47 Ca -0.03 -0.25 -0.17 0.00 0.31 0.00 0.00 61.69 61.55 3ia0 s THR 47 Cb -0.06 -0.72 0.23 0.00 0.01 0.00 0.00 72.50 71.96 3ia0 s THR 47 CO 0.00 0.27 1.20 -2.16 -0.69 0.00 0.00 174.62 173.24 3ia0 s PRO 48 N 0.77 -0.16 0.46 4.92 0.04 -1.12 -1.34 135.00 138.57 3ia0 s PRO 48 Ca -0.12 -0.17 0.12 0.00 0.04 0.00 0.00 61.00 60.86 3ia0 s PRO 48 Cb -0.15 -1.73 1.05 0.00 0.04 0.00 0.00 34.50 33.72 3ia0 s PRO 48 CO 0.01 -2.98 2.08 0.78 0.04 0.00 0.00 177.00 176.93 3ia0 h GLY 49 N -2.06 0.24 2.00 0.56 0.00 -1.78 -1.96 103.07 100.07 3ia0 h GLY 49 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.78 3ia0 h GLY 49 CO 0.39 0.09 0.00 1.18 0.00 0.00 0.00 176.54 178.20 3ia0 n GLU 50 N -4.48 0.17 0.31 4.80 4.71 -1.22 -2.69 120.64 122.25 3ia0 n GLU 50 Ca -0.01 0.44 0.19 0.00 -0.01 0.00 0.00 57.16 57.77 3ia0 n GLU 50 Cb 0.11 -1.85 1.02 0.00 -1.01 0.00 0.00 31.44 29.71 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 0.21 -0.14 2.62 2.02 -1.69 -2.74 112.91 113.19 3ia0 h THR 51 Ca 0.00 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3ia0 h THR 51 Cb 0.30 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3ia0 h THR 51 CO 0.00 0.02 -0.01 0.00 0.37 0.00 0.00 175.52 175.90 3ia0 h ALA 52 N 1.98 1.73 -0.21 6.16 0.00 -1.73 0.13 119.26 127.31 3ia0 h ALA 52 Ca -0.00 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 3ia0 h ALA 52 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3ia0 h ALA 52 CO 0.00 0.21 -0.64 0.52 0.00 0.00 0.00 179.25 179.34 3ia0 h MET 53 N 0.20 0.77 -0.16 0.00 2.86 -1.75 0.43 114.93 117.29 3ia0 h MET 53 Ca 0.05 -0.54 -0.03 0.00 -2.06 0.00 0.00 59.70 57.12 3ia0 h MET 53 Cb 0.16 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3ia0 h MET 53 CO 0.00 1.16 -0.02 0.82 1.06 0.00 0.00 176.91 179.93 3ia0 h ILE 54 N 0.56 1.28 -0.80 -1.22 2.04 -1.49 -2.02 117.51 115.87 3ia0 h ILE 54 Ca -0.01 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.87 3ia0 h ILE 54 Cb 1.25 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 3ia0 h ILE 54 CO 0.13 0.28 0.37 0.00 0.00 0.00 0.00 178.15 178.93 3ia0 h ALA 55 N 0.73 1.15 -0.54 1.87 0.00 -0.80 -1.97 119.26 119.69 3ia0 h ALA 55 Ca 0.04 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3ia0 h ALA 55 Cb 0.44 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3ia0 h ALA 55 CO 0.01 0.64 0.23 0.78 0.00 0.00 0.00 179.25 180.91 3ia0 h GLY 56 N 1.16 0.75 0.77 0.00 0.00 -0.78 -0.08 103.07 104.89 3ia0 h GLY 56 Ca 0.27 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3ia0 h GLY 56 CO -0.03 0.05 -0.24 -1.80 0.00 0.00 0.00 176.54 174.52 3ia0 h ASP 57 N 0.44 -0.62 -0.03 0.19 3.58 -0.93 -2.56 116.42 116.50 3ia0 h ASP 57 Ca 0.25 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.79 3ia0 h ASP 57 Cb 0.24 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.45 3ia0 h ASP 57 CO -0.23 -0.35 -0.23 -0.07 -2.88 0.00 0.00 179.24 175.48 3ia0 h LEU 58 N -0.53 -0.70 -0.47 2.28 3.38 -0.94 -2.51 115.31 115.83 3ia0 h LEU 58 Ca -0.01 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3ia0 h LEU 58 Cb 0.47 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 3ia0 h LEU 58 CO -0.03 -0.30 0.27 0.00 0.09 0.00 0.00 178.44 178.47 3ia0 h ALA 59 N 0.53 0.60 -0.80 1.53 0.00 -1.04 -1.05 119.26 119.02 3ia0 h ALA 59 Ca 0.07 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3ia0 h ALA 59 Cb 0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3ia0 h ALA 59 CO -0.23 -0.05 0.53 -0.07 0.00 0.00 0.00 179.25 179.43 3ia0 h LEU 60 N 0.54 0.73 0.00 0.00 3.38 -1.30 -1.93 115.31 116.73 3ia0 h LEU 60 Ca 0.19 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3ia0 h LEU 60 Cb 0.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ia0 h LEU 60 CO -0.10 0.46 -0.25 0.29 0.09 0.00 0.00 178.44 178.93 3ia0 n LYS 61 N -4.49 0.27 0.02 1.13 5.02 -0.77 -4.06 118.16 115.28 3ia0 n LYS 61 Ca 0.13 0.16 -0.12 0.00 -2.02 0.00 0.00 58.31 56.46 3ia0 n LYS 61 Cb 0.26 -1.76 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 3ia0 n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ia0 h ALA 62 N 2.52 0.54 -2.99 7.82 0.00 -0.40 -3.49 119.26 123.25 3ia0 h ALA 62 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 54.91 53.60 3ia0 h ALA 62 Cb 0.74 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3ia0 h ALA 62 CO 0.00 1.38 0.22 0.00 0.00 0.00 0.00 179.25 180.86 3ia0 s ALA 63 N -2.62 -0.61 -1.31 0.00 0.00 -1.15 -4.69 121.76 111.37 3ia0 s ALA 63 Ca -0.07 -0.81 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 3ia0 s ALA 63 Cb 0.08 0.73 0.11 0.00 0.00 0.00 0.00 23.12 24.04 3ia0 s ALA 63 CO 0.82 -0.97 1.80 -3.47 0.00 0.00 0.00 175.76 173.95 3ia0 n ASP 64 N -1.36 4.79 -4.61 0.00 2.03 -1.26 -4.68 116.55 111.45 3ia0 n ASP 64 Ca -0.07 -2.95 -0.28 0.00 0.52 0.00 0.00 54.79 52.01 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 2.55 1.90 0.06 5.18 -7.23 -1.26 -4.62 120.40 116.98 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 -2.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3ia0 s VAL 65 CO 0.01 0.00 -0.08 -1.00 -0.31 0.00 0.00 175.10 173.72 3ia0 s HIS 66 N -2.76 0.79 -0.44 2.82 3.76 -0.64 -4.85 115.29 113.96 3ia0 s HIS 66 Ca 0.34 -0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 54.38 3ia0 s HIS 66 Cb 0.10 -0.46 0.02 0.00 1.11 0.00 0.00 32.58 33.35 3ia0 s HIS 66 CO 0.17 -0.08 0.98 0.42 -0.85 0.00 0.00 174.74 175.38 3ia0 s ILE 67 N -2.00 4.43 0.03 0.60 1.01 -1.26 -1.07 121.20 122.94 3ia0 s ILE 67 Ca -0.03 0.97 -0.26 0.00 0.00 0.00 0.00 60.65 61.34 3ia0 s ILE 67 Cb -0.06 -4.45 -0.17 0.00 0.01 0.00 0.00 42.46 37.79 3ia0 s ILE 67 CO -0.01 -0.81 1.40 1.23 0.00 0.00 0.00 174.94 176.76 3ia0 h GLY 68 N 10.60 -0.30 -3.02 6.18 0.00 -0.02 -3.48 103.07 113.04 3ia0 h GLY 68 Ca -0.24 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.24 3ia0 h GLY 68 CO 1.04 -0.11 0.32 -0.11 0.00 0.00 0.00 176.54 177.68 3ia0 s PHE 69 N -5.08 -0.43 -0.08 5.60 -0.71 -1.02 -4.94 117.98 111.32 3ia0 s PHE 69 Ca -0.15 0.23 -0.00 0.00 -1.04 0.00 0.00 56.93 55.96 3ia0 s PHE 69 Cb 0.03 0.57 0.03 0.00 -1.21 0.00 0.00 43.02 42.43 3ia0 s PHE 69 CO 0.60 -0.78 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.51 3ia0 s LEU 70 N -2.68 0.94 -0.38 -1.99 0.20 -1.26 -1.20 118.68 112.30 3ia0 s LEU 70 Ca 0.04 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.72 3ia0 s LEU 70 Cb -0.01 -0.55 0.11 0.00 -0.43 0.00 0.00 46.19 45.30 3ia0 s LEU 70 CO -0.10 -0.14 0.12 -0.62 -0.29 0.00 0.00 176.35 175.33 3ia0 s ASP 71 N 1.63 4.90 0.00 3.68 3.68 0.77 -4.95 116.67 126.38 3ia0 s ASP 71 Ca 0.01 -2.19 0.23 0.00 2.13 0.00 0.00 52.55 52.73 3ia0 s ASP 71 Cb -0.13 -1.70 1.35 0.00 -1.45 0.00 0.00 42.92 41.00 3ia0 s ASP 71 CO -0.04 -0.42 1.79 -2.11 0.13 0.00 0.00 175.17 174.51 3ia0 n ARG 72 N 4.27 0.86 -0.10 4.34 1.85 -1.26 -0.43 116.66 126.20 3ia0 n ARG 72 Ca 0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 56.74 3ia0 n ARG 72 Cb 0.41 -1.41 -0.05 0.00 -1.05 0.00 0.00 32.46 30.37 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 -0.91 0.15 0.17 2.89 3.01 -1.26 -3.38 117.46 118.12 3ia0 n PHE 73 Ca 0.17 0.06 0.05 0.00 1.01 0.00 0.00 57.45 58.74 3ia0 n PHE 73 Cb 0.08 -0.66 0.15 0.00 -0.01 0.00 0.00 39.48 39.04 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 -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3ia0 h SER 74 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3ia0 h SER 74 CO -0.10 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 3ia0 n GLY 75 N 0.91 0.72 3.81 -0.77 0.00 0.43 -4.64 105.19 105.65 3ia0 n GLY 75 Ca 0.02 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.96 -1.58 121.76 125.01 3ia0 s ALA 76 Ca 0.00 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 3ia0 s ALA 76 Cb 0.00 -2.98 0.05 0.00 0.00 0.00 0.00 23.12 20.19 3ia0 s ALA 76 CO 0.00 0.25 0.20 -1.17 0.00 0.00 0.00 175.76 175.04 3ia0 s LEU 77 N -2.30 0.15 -0.16 0.00 2.96 -1.05 -0.16 118.68 118.12 3ia0 s LEU 77 Ca 0.50 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.85 3ia0 s LEU 77 Cb -0.15 0.49 0.01 0.00 0.50 0.00 0.00 46.19 47.04 3ia0 s LEU 77 CO 0.20 -0.21 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.14 3ia0 s VAL 78 N 1.86 2.13 0.34 1.68 1.01 -0.34 -2.42 120.40 124.66 3ia0 s VAL 78 Ca -0.03 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.10 3ia0 s VAL 78 Cb -0.12 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 3ia0 s VAL 78 CO -0.07 0.54 0.08 0.27 0.00 0.00 0.00 175.10 175.92 3ia0 s ILE 79 N 1.06 2.79 0.21 2.22 -4.36 -0.89 0.71 121.20 122.94 3ia0 s ILE 79 Ca -0.01 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.47 3ia0 s ILE 79 Cb -0.14 -2.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.66 3ia0 s ILE 79 CO -0.07 -0.18 0.32 -0.72 0.24 0.00 0.00 174.94 174.53 3ia0 s TYR 80 N -2.48 0.60 -5.00 1.37 -0.85 -0.23 -0.90 117.35 109.85 3ia0 s TYR 80 Ca 0.36 -0.92 0.00 0.00 -0.52 0.00 0.00 57.07 55.99 3ia0 s TYR 80 Cb -0.01 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.23 3ia0 s TYR 80 CO 0.21 -0.81 0.00 0.41 -1.52 0.00 0.00 175.55 173.84 3ia0 n GLY 81 N -0.30 0.27 3.71 5.49 0.00 -1.11 -1.62 105.19 111.64 3ia0 n GLY 81 Ca -0.02 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.12 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 3.91 0.26 1.61 1.04 -1.26 -0.72 113.70 114.55 3ia0 s SER 82 Ca 0.00 2.25 -0.02 0.00 0.48 0.00 0.00 55.95 58.66 3ia0 s SER 82 Cb 0.00 -2.58 0.44 0.00 0.10 0.00 0.00 66.02 63.98 3ia0 s SER 82 CO 0.00 -2.45 1.84 0.58 0.98 0.00 0.00 173.24 174.19 3ia0 h VAL 83 N -0.78 0.96 -0.27 5.02 2.07 -1.97 0.11 116.25 121.39 3ia0 h VAL 83 Ca -0.46 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3ia0 h VAL 83 Cb 1.28 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ia0 h VAL 83 CO 0.48 0.17 -0.10 1.23 0.02 0.00 0.00 177.57 179.37 3ia0 h GLY 84 N 0.95 0.59 0.88 2.17 0.00 -1.99 -1.48 103.07 104.20 3ia0 h GLY 84 Ca 0.43 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3ia0 h GLY 84 CO -0.23 0.47 0.07 0.00 0.00 0.00 0.00 176.54 176.84 3ia0 h ALA 85 N 0.76 0.36 -0.58 3.60 0.00 -1.83 -1.93 119.26 119.64 3ia0 h ALA 85 Ca 0.07 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3ia0 h ALA 85 Cb 0.59 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3ia0 h ALA 85 CO 0.03 0.02 0.13 0.28 0.00 0.00 0.00 179.25 179.71 3ia0 h VAL 86 N 0.27 1.24 -0.46 0.00 2.07 -1.01 -0.59 116.25 117.76 3ia0 h VAL 86 Ca 0.09 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 3ia0 h VAL 86 Cb 0.28 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3ia0 h VAL 86 CO 0.00 0.33 -0.01 -0.08 0.02 0.00 0.00 177.57 177.83 3ia0 h GLU 87 N 0.87 0.82 -0.10 1.57 4.81 -1.10 -1.20 114.58 120.24 3ia0 h GLU 87 Ca 0.19 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 3ia0 h GLU 87 Cb 0.33 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3ia0 h GLU 87 CO 0.00 0.88 -0.09 1.49 -0.73 0.00 0.00 179.01 180.56 3ia0 h GLU 88 N 0.67 0.24 -0.54 1.92 4.57 -1.19 -1.51 114.58 118.74 3ia0 h GLU 88 Ca 0.13 -0.12 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 3ia0 h GLU 88 Cb 0.52 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.02 3ia0 h GLU 88 CO 0.03 0.65 -0.02 0.00 -1.18 0.00 0.00 179.01 178.48 3ia0 h ALA 89 N 0.59 0.50 0.55 2.92 0.00 -1.07 0.16 119.26 122.91 3ia0 h ALA 89 Ca 0.02 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ia0 h ALA 89 Cb 0.60 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3ia0 h ALA 89 CO 0.02 -0.40 -0.26 -0.07 0.00 0.00 0.00 179.25 178.54 3ia0 h LEU 90 N 0.10 -0.62 -0.35 0.00 3.38 -1.17 -1.22 115.31 115.42 3ia0 h LEU 90 Ca 0.27 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.34 3ia0 h LEU 90 Cb 0.42 0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 3ia0 h LEU 90 CO -0.47 -0.44 -0.14 -1.28 0.09 0.00 0.00 178.44 176.20 3ia0 h SER 91 N -0.74 -0.49 -0.61 -0.43 0.87 -0.87 -1.90 113.55 109.39 3ia0 h SER 91 Ca -0.08 0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 3ia0 h SER 91 Cb 0.57 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 3ia0 h SER 91 CO 0.12 -0.17 0.34 1.56 -0.53 0.00 0.00 176.83 178.15 3ia0 h GLN 92 N -0.07 0.84 -0.53 2.24 1.08 -0.65 -2.86 115.11 115.15 3ia0 h GLN 92 Ca 0.18 -0.09 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 3ia0 h GLN 92 Cb 0.34 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 3ia0 h GLN 92 CO -0.40 0.63 -0.05 1.15 -0.95 0.00 0.00 178.83 179.21 3ia0 h THR 93 N 0.82 1.26 0.02 -0.54 2.02 -0.66 0.48 112.91 116.31 3ia0 h THR 93 Ca 0.21 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 3ia0 h THR 93 Cb 0.03 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3ia0 h THR 93 CO -0.04 0.41 -0.01 0.58 0.37 0.00 0.00 175.52 176.84 3ia0 h VAL 94 N 0.86 1.16 -0.77 3.16 2.07 -1.30 -2.12 116.25 119.32 3ia0 h VAL 94 Ca 0.15 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3ia0 h VAL 94 Cb 0.58 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3ia0 h VAL 94 CO 0.03 0.14 0.31 0.77 0.02 0.00 0.00 177.57 178.84 3ia0 h SER 95 N -0.26 1.05 -0.86 0.57 4.64 -1.38 -2.53 113.55 114.78 3ia0 h SER 95 Ca -0.00 -0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 3ia0 h SER 95 Cb 0.25 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 3ia0 h SER 95 CO 0.00 0.93 0.57 1.23 -0.87 0.00 0.00 176.83 178.69 3ia0 h GLY 96 N 1.14 1.22 0.99 -0.77 0.00 -0.81 -0.64 103.07 104.21 3ia0 h GLY 96 Ca 0.26 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 47.02 3ia0 h GLY 96 CO -0.02 0.39 -0.37 1.41 0.00 0.00 0.00 176.54 177.95 3ia0 h LEU 97 N 1.10 0.78 -1.18 3.11 3.38 -0.98 0.63 115.31 122.15 3ia0 h LEU 97 Ca 0.33 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3ia0 h LEU 97 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3ia0 h LEU 97 CO -0.09 1.13 -0.36 1.23 0.09 0.00 0.00 178.44 180.44 3ia0 h GLY 98 N 0.45 0.10 0.10 0.83 0.00 -1.28 0.43 103.07 103.70 3ia0 h GLY 98 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3ia0 h GLY 98 CO 0.09 0.07 -0.05 -0.09 0.00 0.00 0.00 176.54 176.56 3ia0 h ARG 99 N 0.08 -0.13 -0.40 4.80 2.43 -1.01 -1.15 114.38 119.01 3ia0 h ARG 99 Ca 0.01 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3ia0 h ARG 99 Cb 0.67 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3ia0 h ARG 99 CO 0.05 -0.09 -0.05 -0.07 -1.51 0.00 0.00 179.97 178.30 3ia0 h LEU 100 N -0.84 0.64 -0.75 3.80 3.38 -0.96 -3.34 115.31 117.23 3ia0 h LEU 100 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3ia0 h LEU 100 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3ia0 h LEU 100 CO 0.02 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.47 3ia0 n LEU 101 N -4.21 0.74 -3.73 1.67 4.77 0.06 -5.02 117.00 111.28 3ia0 n LEU 101 Ca 0.02 -0.74 -0.24 0.00 -0.03 0.00 0.00 56.01 55.02 3ia0 n LEU 101 Cb 0.31 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.44 3ia0 n LEU 101 CO 0.41 0.19 0.02 -3.20 -1.33 0.00 0.00 177.39 173.47 3ia0 n ASN 102 N -0.00 -2.59 -4.80 -1.43 5.15 -0.43 -4.91 115.26 106.24 3ia0 n ASN 102 Ca 0.00 -0.77 -0.32 0.00 -0.60 0.00 0.00 54.58 52.89 3ia0 n ASN 102 Cb 0.07 -4.16 0.05 0.00 -0.53 0.00 0.00 39.78 35.21 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 -3.52 2.90 -0.02 1.20 4.12 -1.14 -4.93 117.35 115.95 3ia0 s TYR 103 Ca 0.23 1.49 -0.30 0.00 0.02 0.00 0.00 57.07 58.50 3ia0 s TYR 103 Cb -0.11 -2.98 -0.03 0.00 -1.52 0.00 0.00 41.96 37.31 3ia0 s TYR 103 CO 0.81 -1.40 1.13 0.99 0.02 0.00 0.00 175.55 177.09 3ia0 s THR 104 N -2.81 4.40 0.52 -0.71 2.01 -0.75 -4.59 115.64 113.71 3ia0 s THR 104 Ca 0.61 1.72 0.06 0.00 0.31 0.00 0.00 61.69 64.39 3ia0 s THR 104 Cb -0.16 -4.10 0.03 0.00 0.01 0.00 0.00 72.50 68.28 3ia0 s THR 104 CO 0.50 0.06 0.43 -0.76 -0.69 0.00 0.00 174.62 174.16 3ia0 s LEU 105 N 1.65 2.89 0.00 4.42 1.02 -1.26 -0.58 118.68 126.82 3ia0 s LEU 105 Ca 0.55 -1.10 0.05 0.00 0.02 0.00 0.00 54.13 53.64 3ia0 s LEU 105 Cb -0.24 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 3ia0 s LEU 105 CO 0.24 -1.02 0.18 0.00 0.02 0.00 0.00 176.35 175.77 3ia0 s GLU 107 N -3.36 4.02 0.31 0.00 0.41 -1.26 -5.01 118.70 113.81 3ia0 s GLU 107 Ca 0.25 0.57 -0.28 0.00 -0.41 0.00 0.00 54.97 55.11 3ia0 s GLU 107 Cb 0.01 -2.82 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 3ia0 s GLU 107 CO 0.18 0.40 1.02 1.41 -0.49 0.00 0.00 175.26 177.77 3ia0 s MET 108 N -2.20 4.58 0.19 1.61 -2.45 -1.26 -4.33 119.30 115.44 3ia0 s MET 108 Ca 0.42 1.57 0.03 0.00 -1.25 0.00 0.00 55.69 56.46 3ia0 s MET 108 Cb -0.14 -2.99 -0.05 0.00 1.25 0.00 0.00 34.83 32.90 3ia0 s MET 108 CO 0.20 0.22 -0.04 0.95 1.05 0.00 0.00 175.02 177.40 3ia0 s THR 109 N -1.37 0.99 -0.04 10.11 -4.23 -0.63 -5.03 115.64 115.44 3ia0 s THR 109 Ca 0.48 -2.03 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 3ia0 s THR 109 Cb -0.26 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.49 3ia0 s THR 109 CO 0.32 -0.51 0.31 -1.59 -0.54 0.00 0.00 174.62 172.62 3ia0 s LYS 110 N -3.84 0.61 -0.10 3.99 0.00 -1.26 0.38 119.74 119.54 3ia0 s LYS 110 Ca 0.23 -0.06 0.02 0.00 0.00 0.00 0.00 55.97 56.16 3ia0 s LYS 110 Cb 0.05 0.28 0.01 0.00 0.00 0.00 0.00 37.83 38.16 3ia0 s LYS 110 CO 0.05 -0.16 -0.16 -1.12 0.00 0.00 0.00 175.35 173.96 3ia0 s SER 111 N -1.03 2.40 0.10 0.03 0.01 0.78 -4.93 113.70 111.06 3ia0 s SER 111 Ca -0.11 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 56.78 3ia0 s SER 111 Cb -0.05 -1.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 3ia0 s SER 111 CO 0.03 0.05 -0.13 -0.76 0.41 0.00 0.00 173.24 172.84 3ia0 s LEU 112 N 0.79 2.35 0.00 2.44 1.43 -1.26 -2.11 118.68 122.33 3ia0 s LEU 112 Ca -0.11 -0.73 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 0.00 176.35 175.83