#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 1.07 -0.22 1.97 2.02 -1.26 -5.13 118.70 117.15 3ia0 s GLU 4 Ca 0.00 -0.41 -0.06 0.00 0.02 0.00 0.00 54.97 54.52 3ia0 s GLU 4 Cb 0.00 -1.01 -0.02 0.00 0.10 0.00 0.00 34.13 33.20 3ia0 s GLU 4 CO 0.00 0.21 0.02 1.03 0.02 0.00 0.00 175.26 176.54 3ia0 s ARG 5 N -0.07 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 -0.07 -3.16 -0.01 0.00 0.52 0.00 0.00 34.95 32.22 3ia0 s ARG 5 CO 0.00 -0.06 -0.23 0.42 0.02 0.00 0.00 175.30 175.45 3ia0 s ILE 6 N 1.23 1.81 0.01 1.52 -1.09 -1.26 -5.12 121.20 118.29 3ia0 s ILE 6 Ca 0.04 -0.97 -0.20 0.00 -2.23 0.00 0.00 60.65 57.29 3ia0 s ILE 6 Cb -0.15 -1.51 -0.06 0.00 -1.58 0.00 0.00 42.46 39.16 3ia0 s ILE 6 CO 0.02 0.51 0.57 -0.63 -1.23 0.00 0.00 174.94 174.18 3ia0 s ILE 7 N -0.40 4.89 -0.22 2.92 1.01 -1.26 -5.06 121.20 123.08 3ia0 s ILE 7 Ca 0.05 1.20 -0.02 0.00 0.00 0.00 0.00 60.65 61.88 3ia0 s ILE 7 Cb -0.10 -3.90 0.06 0.00 0.01 0.00 0.00 42.46 38.53 3ia0 s ILE 7 CO 0.00 0.45 0.02 -1.10 0.00 0.00 0.00 174.94 174.32 3ia0 s GLN 8 N -0.41 0.89 -0.38 2.79 -0.21 -1.26 -5.08 119.66 116.00 3ia0 s GLN 8 Ca 0.30 -0.63 -0.29 0.00 0.02 0.00 0.00 55.36 54.75 3ia0 s GLN 8 Cb -0.18 -2.21 0.02 0.00 1.00 0.00 0.00 33.01 31.64 3ia0 s GLN 8 CO 0.17 -0.67 1.14 -1.21 -2.12 0.00 0.00 175.29 172.59 3ia0 s GLU 9 N 1.72 3.90 0.10 2.91 2.02 -1.26 -5.02 118.70 123.07 3ia0 s GLU 9 Ca -0.01 0.88 -0.14 0.00 0.02 0.00 0.00 54.97 55.72 3ia0 s GLU 9 Cb -0.18 -3.83 -0.07 0.00 0.10 0.00 0.00 34.13 30.16 3ia0 s GLU 9 CO -0.10 -1.14 0.51 -0.59 0.02 0.00 0.00 175.26 173.96 3ia0 s PHE 10 N 4.12 3.65 0.01 1.61 -0.12 -1.26 -5.09 117.98 120.90 3ia0 s PHE 10 Ca 0.48 1.04 -0.11 0.00 -0.05 0.00 0.00 56.93 58.30 3ia0 s PHE 10 Cb -0.11 -2.34 0.01 0.00 -0.63 0.00 0.00 43.02 39.95 3ia0 s PHE 10 CO 0.23 0.50 0.22 0.14 -0.05 0.00 0.00 175.22 176.26 3ia0 s VAL 11 N -1.35 0.08 0.37 -2.49 -7.23 -1.26 -5.15 120.40 103.38 3ia0 s VAL 11 Ca 0.34 -0.69 -0.26 0.00 -1.81 0.00 0.00 61.98 59.56 3ia0 s VAL 11 Cb -0.16 -0.66 -0.09 0.00 0.56 0.00 0.00 36.38 36.03 3ia0 s VAL 11 CO 0.18 -0.38 1.21 -2.84 -0.31 0.00 0.00 175.10 172.96 3ia0 s PRO 12 N -1.79 4.16 0.80 4.82 0.02 -1.26 -5.05 135.00 136.70 3ia0 s PRO 12 Ca -0.11 1.96 -0.09 0.00 0.02 0.00 0.00 61.00 62.78 3ia0 s PRO 12 Cb -0.05 -2.82 0.11 0.00 0.02 0.00 0.00 34.50 31.77 3ia0 s PRO 12 CO 0.01 -0.27 1.13 0.20 -0.33 0.00 0.00 177.00 177.73 3ia0 s GLY 13 N -0.92 1.71 -0.33 0.52 0.00 -1.26 -4.91 107.32 102.13 3ia0 s GLY 13 Ca 0.54 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.17 3ia0 s GLY 13 CO 0.43 -0.54 0.05 0.54 0.00 0.00 0.00 173.10 173.59 3ia0 s LYS 14 N -5.47 2.22 -0.23 2.90 1.02 -1.25 -2.86 119.74 116.08 3ia0 s LYS 14 Ca 0.65 -1.47 -0.20 0.00 0.02 0.00 0.00 55.97 54.98 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 0.48 -0.76 0.61 -1.14 -0.92 0.00 0.00 175.35 173.61 3ia0 s GLN 15 N 1.18 0.70 -0.45 1.68 0.74 -0.49 -1.75 119.66 121.27 3ia0 s GLN 15 Ca -0.00 0.89 -0.17 0.00 0.05 0.00 0.00 55.36 56.12 3ia0 s GLN 15 Cb -0.20 0.31 0.04 0.00 1.10 0.00 0.00 33.01 34.25 3ia0 s GLN 15 CO -0.03 -0.10 0.45 0.08 -0.55 0.00 0.00 175.29 175.14 3ia0 s VAL 16 N 0.52 5.11 -0.02 1.34 1.01 0.27 -1.53 120.40 127.09 3ia0 s VAL 16 Ca -0.02 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3ia0 s VAL 16 Cb -0.05 -4.10 -0.30 0.00 0.00 0.00 0.00 36.38 31.93 3ia0 s VAL 16 CO -0.02 -0.53 0.77 0.74 0.00 0.00 0.00 175.10 176.06 3ia0 h THR 17 N 5.75 1.04 -3.13 3.92 2.02 -1.72 -3.27 112.91 117.52 3ia0 h THR 17 Ca -0.27 -2.62 -0.12 0.00 0.77 0.00 0.00 66.41 64.16 3ia0 h THR 17 Cb 1.11 2.79 -0.20 0.00 -1.74 0.00 0.00 68.15 70.11 3ia0 h THR 17 CO 0.84 0.84 -0.32 -1.48 0.37 0.00 0.00 175.52 175.77 3ia0 s LEU 18 N -7.23 1.00 -0.30 2.58 0.05 -1.25 -4.86 118.68 108.66 3ia0 s LEU 18 Ca -0.13 0.04 -0.03 0.00 0.05 0.00 0.00 54.13 54.06 3ia0 s LEU 18 Cb 0.06 1.14 0.11 0.00 -2.05 0.00 0.00 46.19 45.44 3ia0 s LEU 18 CO 0.87 -0.42 0.15 0.00 -0.55 0.00 0.00 176.35 176.39 3ia0 s ALA 19 N -1.30 0.66 -0.05 1.48 0.00 -1.25 -2.24 121.76 119.06 3ia0 s ALA 19 Ca -0.13 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.65 3ia0 s ALA 19 Cb -0.06 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 3ia0 s ALA 19 CO 0.04 -1.75 -0.25 -1.58 0.00 0.00 0.00 175.76 172.21 3ia0 s HIS 20 N 1.88 2.42 -0.15 0.00 5.04 0.75 -1.57 115.29 123.66 3ia0 s HIS 20 Ca 0.11 -0.67 -0.06 0.00 -1.54 0.00 0.00 55.06 52.90 3ia0 s HIS 20 Cb -0.17 -1.58 -0.04 0.00 0.04 0.00 0.00 32.58 30.83 3ia0 s HIS 20 CO -0.28 -0.18 0.07 -1.17 -2.34 0.00 0.00 174.74 170.84 3ia0 s LEU 21 N -0.26 3.94 -0.32 8.88 1.98 0.16 -0.47 118.68 132.59 3ia0 s LEU 21 Ca -0.01 0.21 -0.00 0.00 -2.89 0.00 0.00 54.13 51.44 3ia0 s LEU 21 Cb -0.13 -1.97 0.10 0.00 0.66 0.00 0.00 46.19 44.86 3ia0 s LEU 21 CO 0.03 0.28 0.10 -0.63 -1.89 0.00 0.00 176.35 174.24 3ia0 s ILE 22 N -0.27 1.04 0.17 6.68 1.01 0.67 0.07 121.20 130.58 3ia0 s ILE 22 Ca 0.09 -1.56 -0.26 0.00 0.00 0.00 0.00 60.65 58.92 3ia0 s ILE 22 Cb -0.12 -1.79 -0.08 0.00 0.01 0.00 0.00 42.46 40.48 3ia0 s ILE 22 CO 0.01 -0.68 0.79 0.00 0.00 0.00 0.00 174.94 175.06 3ia0 s ALA 23 N 1.48 3.44 -0.88 9.38 0.00 -0.91 -0.95 121.76 133.31 3ia0 s ALA 23 Ca 0.10 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.42 3ia0 s ALA 23 Cb -0.18 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3ia0 s ALA 23 CO -0.22 0.28 0.79 0.72 0.00 0.00 0.00 175.76 177.33 3ia0 n HIS 24 N 1.59 -2.71 0.10 0.00 8.25 -1.26 -4.27 115.22 116.90 3ia0 n HIS 24 Ca -0.05 0.99 -0.06 0.00 -0.26 0.00 0.00 57.72 58.34 3ia0 n HIS 24 Cb 0.48 -4.05 0.05 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 0.12 0.00 -0.41 0.11 -1.80 -3.45 132.00 126.31 3ia0 h PRO 25 Ca -0.29 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3ia0 h PRO 25 Cb 1.15 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ia0 h PRO 25 CO 0.36 0.84 0.00 0.41 -0.21 0.00 0.00 178.00 179.40 3ia0 n GLY 26 N 0.67 0.76 0.28 -0.55 0.00 -1.26 -4.47 105.19 100.62 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 0.81 0.44 1.61 4.81 -1.98 -1.56 114.58 118.72 3ia0 h GLU 27 Ca 0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3ia0 h GLU 27 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3ia0 h GLU 27 CO 0.00 0.90 -0.21 1.49 -0.73 0.00 0.00 179.01 180.46 3ia0 h GLU 28 N 0.73 -0.57 -0.66 1.92 4.81 -2.00 0.47 114.58 119.28 3ia0 h GLU 28 Ca 0.12 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3ia0 h GLU 28 Cb 0.63 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 3ia0 h GLU 28 CO 0.04 -0.33 0.41 1.25 -0.73 0.00 0.00 179.01 179.66 3ia0 h LEU 29 N -0.70 0.67 -0.66 1.64 5.85 -1.77 -1.58 115.31 118.77 3ia0 h LEU 29 Ca -0.06 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3ia0 h LEU 29 Cb 0.51 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3ia0 h LEU 29 CO 0.10 0.46 0.39 0.00 -0.34 0.00 0.00 178.44 179.05 3ia0 h ALA 30 N 1.29 0.87 -0.18 1.25 0.00 -1.10 0.22 119.26 121.61 3ia0 h ALA 30 Ca 0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3ia0 h ALA 30 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3ia0 h ALA 30 CO -0.11 0.12 0.08 -0.22 0.00 0.00 0.00 179.25 179.11 3ia0 h LYS 31 N 0.75 0.26 -0.39 0.00 3.64 -0.49 0.67 116.57 121.01 3ia0 h LYS 31 Ca 0.28 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 3ia0 h LYS 31 Cb 0.09 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 3ia0 h LYS 31 CO -0.14 0.32 0.09 0.87 -2.27 0.00 0.00 179.45 178.32 3ia0 h LYS 32 N 0.14 0.21 0.00 1.90 1.79 -0.88 -2.78 116.57 116.95 3ia0 h LYS 32 Ca 0.06 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 3ia0 h LYS 32 Cb 0.15 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 3ia0 h LYS 32 CO -0.01 0.14 -0.36 0.82 -1.08 0.00 0.00 179.45 178.97 3ia0 h ILE 33 N 0.22 0.87 -0.78 1.86 2.04 -0.68 -3.47 117.51 117.56 3ia0 h ILE 33 Ca 0.19 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.59 3ia0 h ILE 33 Cb 0.22 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3ia0 h ILE 33 CO -0.24 0.35 0.00 0.61 0.00 0.00 0.00 178.15 178.87 3ia0 n GLY 34 N 0.17 0.93 3.29 5.37 0.00 0.17 -5.01 105.19 110.12 3ia0 n GLY 34 Ca -0.00 -0.48 -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 -2.69 1.04 0.65 1.61 -7.23 -0.87 -4.86 120.40 108.05 3ia0 s VAL 35 Ca 0.00 -2.04 -0.17 0.00 -1.81 0.00 0.00 61.98 57.96 3ia0 s VAL 35 Cb 0.00 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.78 3ia0 s VAL 35 CO 0.00 -0.48 1.20 -2.84 -0.31 0.00 0.00 175.10 172.67 3ia0 s PRO 36 N -3.83 2.63 0.65 4.82 0.02 -1.26 -4.42 135.00 133.62 3ia0 s PRO 36 Ca 0.24 1.77 -0.09 0.00 0.02 0.00 0.00 61.00 62.94 3ia0 s PRO 36 Cb 0.05 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.68 3ia0 s PRO 36 CO 0.06 -1.46 1.01 0.34 -0.33 0.00 0.00 177.00 176.62 3ia0 s ASP 37 N -1.85 5.54 -1.04 2.53 2.15 -1.26 -4.23 116.67 118.51 3ia0 s ASP 37 Ca 0.75 0.96 0.00 0.00 0.43 0.00 0.00 52.55 54.70 3ia0 s ASP 37 Cb -0.29 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 3ia0 s ASP 37 CO 0.39 -1.20 0.00 0.00 -0.17 0.00 0.00 175.17 174.18 3ia0 n ALA 38 N -2.81 -0.18 -2.68 3.66 0.00 -1.26 -5.01 120.51 112.23 3ia0 n ALA 38 Ca 0.06 0.15 -0.19 0.00 0.00 0.00 0.00 53.44 53.46 3ia0 n ALA 38 Cb 0.57 -1.27 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.40 1.17 0.89 0.00 -7.23 -1.26 -5.01 120.40 106.56 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 0.12 0.00 0.56 0.00 0.00 36.38 35.92 3ia0 s VAL 39 CO 0.00 -0.23 1.10 0.00 -0.31 0.00 0.00 175.10 175.66 3ia0 s ALA 40 N -1.33 1.64 -0.01 1.32 0.00 0.22 -4.50 121.76 119.10 3ia0 s ALA 40 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 3ia0 s ALA 40 Cb -0.10 -3.15 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3ia0 s ALA 40 CO 0.02 -2.27 0.01 0.42 0.00 0.00 0.00 175.76 173.94 3ia0 s ILE 41 N -3.01 -0.01 -0.10 0.00 1.01 -0.13 -2.65 121.20 116.31 3ia0 s ILE 41 Ca 0.63 0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.34 3ia0 s ILE 41 Cb -0.17 -0.03 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 3ia0 s ILE 41 CO 0.56 0.02 -0.14 -0.83 0.00 0.00 0.00 174.94 174.55 3ia0 s GLY 42 N 0.24 1.53 -0.10 6.18 0.00 -0.10 -0.23 107.32 114.84 3ia0 s GLY 42 Ca -0.02 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.79 3ia0 s GLY 42 CO -0.01 -0.41 -0.15 -0.42 0.00 0.00 0.00 173.10 172.11 3ia0 s ILE 43 N -0.06 1.46 -0.02 0.90 1.01 0.38 -1.96 121.20 122.91 3ia0 s ILE 43 Ca -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.01 3ia0 s ILE 43 Cb -0.14 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3ia0 s ILE 43 CO 0.04 0.43 -0.08 -0.04 0.00 0.00 0.00 174.94 175.29 3ia0 s MET 44 N 0.85 0.79 -0.12 2.79 -1.94 -1.04 -0.18 119.30 120.46 3ia0 s MET 44 Ca -0.10 -0.27 -0.02 0.00 -1.71 0.00 0.00 55.69 53.60 3ia0 s MET 44 Cb -0.15 -0.76 -0.03 0.00 2.01 0.00 0.00 34.83 35.90 3ia0 s MET 44 CO 0.01 0.11 -0.05 0.95 -0.01 0.00 0.00 175.02 176.03 3ia0 s THR 45 N 0.11 3.83 0.02 2.05 -4.23 -0.95 -2.50 115.64 113.97 3ia0 s THR 45 Ca -0.01 -0.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 3ia0 s THR 45 Cb -0.07 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.13 3ia0 s THR 45 CO 0.00 0.54 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.78 3ia0 s LEU 46 N -0.16 2.11 -0.05 4.79 1.43 -0.63 -2.14 118.68 124.04 3ia0 s LEU 46 Ca 0.03 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3ia0 s LEU 46 Cb -0.13 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.75 3ia0 s LEU 46 CO 0.03 -0.00 -0.08 -0.89 0.23 0.00 0.00 176.35 175.63 3ia0 s THR 47 N -0.63 0.79 1.03 5.49 2.01 -0.58 -4.06 115.64 119.69 3ia0 s THR 47 Ca -0.01 -0.29 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 3ia0 s THR 47 Cb -0.06 -0.75 0.21 0.00 0.01 0.00 0.00 72.50 71.91 3ia0 s THR 47 CO 0.00 0.27 1.17 -2.16 -0.69 0.00 0.00 174.62 173.21 3ia0 s PRO 48 N 0.68 0.13 0.45 4.92 0.04 -1.13 -1.40 135.00 138.69 3ia0 s PRO 48 Ca -0.11 0.01 0.14 0.00 0.04 0.00 0.00 61.00 61.07 3ia0 s PRO 48 Cb -0.14 -1.75 1.07 0.00 0.04 0.00 0.00 34.50 33.72 3ia0 s PRO 48 CO 0.02 -2.82 2.02 0.78 0.04 0.00 0.00 177.00 177.04 3ia0 h GLY 49 N -1.95 0.43 2.00 0.56 0.00 -1.78 -1.61 103.07 100.72 3ia0 h GLY 49 Ca -0.47 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.72 3ia0 h GLY 49 CO 0.46 0.10 0.00 0.83 0.00 0.00 0.00 176.54 177.93 3ia0 h GLU 50 N 0.34 0.00 0.00 4.80 3.07 -1.88 -2.83 114.58 118.07 3ia0 h GLU 50 Ca 0.20 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3ia0 h GLU 50 Cb 0.38 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 3ia0 h GLU 50 CO -0.05 0.00 -0.02 1.15 -1.40 0.00 0.00 179.01 178.69 3ia0 h THR 51 N 0.00 0.29 -0.08 1.13 2.02 -1.63 -2.67 112.91 111.98 3ia0 h THR 51 Ca 0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3ia0 h THR 51 Cb 0.26 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3ia0 h THR 51 CO 0.00 0.02 -0.04 0.00 0.37 0.00 0.00 175.52 175.87 3ia0 h ALA 52 N 1.98 1.80 -0.19 6.16 0.00 -1.72 0.12 119.26 127.41 3ia0 h ALA 52 Ca -0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.63 3ia0 h ALA 52 Cb 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3ia0 h ALA 52 CO 0.00 0.16 -0.68 0.52 0.00 0.00 0.00 179.25 179.25 3ia0 h MET 53 N 0.11 0.74 -0.19 0.00 2.86 -1.73 0.56 114.93 117.27 3ia0 h MET 53 Ca 0.03 -0.54 -0.04 0.00 -2.06 0.00 0.00 59.70 57.08 3ia0 h MET 53 Cb 0.14 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3ia0 h MET 53 CO 0.01 1.16 -0.04 0.82 1.06 0.00 0.00 176.91 179.92 3ia0 h ILE 54 N 0.53 1.28 -0.74 -1.22 2.04 -1.44 -2.07 117.51 115.89 3ia0 h ILE 54 Ca -0.02 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.80 3ia0 h ILE 54 Cb 1.28 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 3ia0 h ILE 54 CO 0.14 0.30 0.29 0.00 0.00 0.00 0.00 178.15 178.87 3ia0 h ALA 55 N 0.74 1.11 -0.49 1.87 0.00 -0.83 -1.86 119.26 119.81 3ia0 h ALA 55 Ca 0.05 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3ia0 h ALA 55 Cb 0.47 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3ia0 h ALA 55 CO 0.02 0.63 0.11 0.78 0.00 0.00 0.00 179.25 180.79 3ia0 h GLY 56 N 1.12 0.60 0.79 0.00 0.00 -0.77 0.04 103.07 104.86 3ia0 h GLY 56 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3ia0 h GLY 56 CO -0.02 -0.06 -0.24 -1.80 0.00 0.00 0.00 176.54 174.42 3ia0 h ASP 57 N 0.25 -0.64 -0.07 0.19 3.58 -0.92 -2.45 116.42 116.36 3ia0 h ASP 57 Ca 0.24 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.78 3ia0 h ASP 57 Cb 0.32 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 3ia0 h ASP 57 CO -0.31 -0.37 -0.26 -0.07 -2.88 0.00 0.00 179.24 175.35 3ia0 h LEU 58 N -0.56 -0.78 -0.60 2.28 3.38 -0.98 -2.43 115.31 115.63 3ia0 h LEU 58 Ca -0.02 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3ia0 h LEU 58 Cb 0.49 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3ia0 h LEU 58 CO -0.01 -0.31 0.39 0.00 0.09 0.00 0.00 178.44 178.60 3ia0 h ALA 59 N 0.52 0.77 -0.73 1.53 0.00 -1.00 -0.82 119.26 119.53 3ia0 h ALA 59 Ca 0.08 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ia0 h ALA 59 Cb 0.48 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ia0 h ALA 59 CO -0.27 0.17 0.48 -0.07 0.00 0.00 0.00 179.25 179.56 3ia0 h LEU 60 N 0.79 0.77 0.00 0.00 3.38 -1.28 -2.26 115.31 116.71 3ia0 h LEU 60 Ca 0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3ia0 h LEU 60 Cb -0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ia0 h LEU 60 CO -0.06 0.53 -0.25 0.29 0.09 0.00 0.00 178.44 179.04 3ia0 n LYS 61 N -4.45 0.27 0.03 1.13 5.02 -0.71 -4.06 118.16 115.38 3ia0 n LYS 61 Ca 0.09 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.42 3ia0 n LYS 61 Cb 0.12 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.24 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 2.53 0.48 -2.98 7.82 0.00 -0.57 -3.49 119.26 123.04 3ia0 h ALA 62 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 54.91 53.61 3ia0 h ALA 62 Cb 0.74 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3ia0 h ALA 62 CO 0.00 1.34 0.17 0.00 0.00 0.00 0.00 179.25 180.76 3ia0 s ALA 63 N -2.62 -0.45 -1.33 0.00 0.00 -1.16 -4.71 121.76 111.50 3ia0 s ALA 63 Ca -0.07 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 50.85 3ia0 s ALA 63 Cb 0.08 0.79 0.09 0.00 0.00 0.00 0.00 23.12 24.08 3ia0 s ALA 63 CO 0.83 -0.95 1.86 -3.47 0.00 0.00 0.00 175.76 174.03 3ia0 n ASP 64 N -1.35 4.68 -4.62 0.00 2.03 -1.26 -4.69 116.55 111.34 3ia0 n ASP 64 Ca -0.06 -2.94 -0.28 0.00 0.52 0.00 0.00 54.79 52.03 3ia0 n ASP 64 Cb 0.60 -1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.85 1.81 0.06 5.18 -7.23 -1.26 -4.62 120.40 117.19 3ia0 s VAL 65 Ca 0.48 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3ia0 s VAL 65 Cb 0.07 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3ia0 s VAL 65 CO 0.00 0.00 -0.07 -1.00 -0.31 0.00 0.00 175.10 173.72 3ia0 s HIS 66 N -2.78 0.69 -0.46 2.82 3.76 -0.63 -4.86 115.29 113.84 3ia0 s HIS 66 Ca 0.31 -0.64 -0.26 0.00 -0.15 0.00 0.00 55.06 54.32 3ia0 s HIS 66 Cb 0.09 -0.42 0.03 0.00 1.11 0.00 0.00 32.58 33.39 3ia0 s HIS 66 CO 0.16 -0.12 0.95 0.42 -0.85 0.00 0.00 174.74 175.30 3ia0 s ILE 67 N -2.13 4.44 0.03 0.60 1.01 -1.26 -1.12 121.20 122.77 3ia0 s ILE 67 Ca -0.04 0.83 -0.26 0.00 0.00 0.00 0.00 60.65 61.19 3ia0 s ILE 67 Cb -0.05 -4.45 -0.17 0.00 0.01 0.00 0.00 42.46 37.79 3ia0 s ILE 67 CO -0.02 -0.84 1.40 1.23 0.00 0.00 0.00 174.94 176.71 3ia0 h GLY 68 N 10.63 -0.29 -3.03 6.18 0.00 -0.05 -3.47 103.07 113.04 3ia0 h GLY 68 Ca -0.24 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.23 3ia0 h GLY 68 CO 1.04 -0.11 0.31 -0.11 0.00 0.00 0.00 176.54 177.67 3ia0 s PHE 69 N -5.08 -0.45 -0.07 5.60 -0.71 -1.03 -4.95 117.98 111.29 3ia0 s PHE 69 Ca -0.15 0.24 -0.00 0.00 -1.04 0.00 0.00 56.93 55.98 3ia0 s PHE 69 Cb 0.03 0.56 0.03 0.00 -1.21 0.00 0.00 43.02 42.43 3ia0 s PHE 69 CO 0.61 -0.78 -0.03 -1.17 -1.34 0.00 0.00 175.22 172.51 3ia0 s LEU 70 N -2.69 0.94 -0.37 -1.99 0.20 -1.26 -1.13 118.68 112.38 3ia0 s LEU 70 Ca 0.03 -0.15 0.02 0.00 0.69 0.00 0.00 54.13 54.73 3ia0 s LEU 70 Cb -0.01 -0.54 0.11 0.00 -0.43 0.00 0.00 46.19 45.31 3ia0 s LEU 70 CO -0.10 -0.13 0.11 -0.62 -0.29 0.00 0.00 176.35 175.31 3ia0 s ASP 71 N 1.60 4.84 0.00 3.68 3.68 0.69 -4.95 116.67 126.21 3ia0 s ASP 71 Ca 0.00 -2.21 0.22 0.00 2.13 0.00 0.00 52.55 52.68 3ia0 s ASP 71 Cb -0.13 -1.68 1.29 0.00 -1.45 0.00 0.00 42.92 40.95 3ia0 s ASP 71 CO -0.04 -0.40 1.74 -2.11 0.13 0.00 0.00 175.17 174.48 3ia0 n ARG 72 N 4.21 0.84 -0.10 4.34 1.85 -1.26 -0.55 116.66 126.00 3ia0 n ARG 72 Ca 0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.72 3ia0 n ARG 72 Cb 0.41 -1.40 -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 -0.90 0.08 0.17 2.89 3.01 -1.26 -3.38 117.46 118.07 3ia0 n PHE 73 Ca 0.16 0.03 0.06 0.00 1.01 0.00 0.00 57.45 58.71 3ia0 n PHE 73 Cb 0.07 -0.69 0.11 0.00 -0.01 0.00 0.00 39.48 38.97 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 -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3ia0 h SER 74 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3ia0 h SER 74 CO -0.14 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3ia0 n GLY 75 N 1.06 0.69 3.81 -0.77 0.00 0.29 -4.63 105.19 105.65 3ia0 n GLY 75 Ca 0.02 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 3.26 -0.10 4.61 0.00 -0.96 -1.60 121.76 124.96 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 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 20.18 3ia0 s ALA 76 CO 0.00 0.24 0.20 -1.17 0.00 0.00 0.00 175.76 175.03 3ia0 s LEU 77 N -2.45 0.12 -0.16 0.00 2.96 -1.04 -0.22 118.68 117.89 3ia0 s LEU 77 Ca 0.51 0.43 0.01 0.00 -0.22 0.00 0.00 54.13 54.86 3ia0 s LEU 77 Cb -0.14 0.48 0.01 0.00 0.50 0.00 0.00 46.19 47.04 3ia0 s LEU 77 CO 0.19 -0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.13 3ia0 s VAL 78 N 1.90 2.24 0.35 1.68 1.01 -0.29 -2.49 120.40 124.80 3ia0 s VAL 78 Ca -0.02 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.14 3ia0 s VAL 78 Cb -0.12 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 3ia0 s VAL 78 CO -0.07 0.53 0.09 0.27 0.00 0.00 0.00 175.10 175.92 3ia0 s ILE 79 N 1.02 2.73 0.21 2.22 -4.36 -0.83 0.68 121.20 122.88 3ia0 s ILE 79 Ca -0.02 -1.82 -0.09 0.00 -0.26 0.00 0.00 60.65 58.46 3ia0 s ILE 79 Cb -0.15 -2.90 -0.01 0.00 1.25 0.00 0.00 42.46 40.65 3ia0 s ILE 79 CO -0.06 -0.16 0.35 -0.72 0.24 0.00 0.00 174.94 174.59 3ia0 s TYR 80 N -2.49 0.52 -5.00 1.37 -0.85 -0.28 -0.92 117.35 109.69 3ia0 s TYR 80 Ca 0.37 -0.85 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 3ia0 s TYR 80 Cb -0.00 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.30 3ia0 s TYR 80 CO 0.21 -0.83 0.00 0.41 -1.52 0.00 0.00 175.55 173.82 3ia0 n GLY 81 N -0.30 0.24 3.73 5.49 0.00 -1.08 -1.60 105.19 111.66 3ia0 n GLY 81 Ca -0.03 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 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 4.25 0.26 1.61 1.04 -1.26 -0.61 113.70 115.00 3ia0 s SER 82 Ca 0.00 2.22 -0.02 0.00 0.48 0.00 0.00 55.95 58.63 3ia0 s SER 82 Cb 0.00 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 64.00 3ia0 s SER 82 CO 0.00 -2.22 1.84 0.58 0.98 0.00 0.00 173.24 174.43 3ia0 h VAL 83 N -0.49 0.98 -0.27 5.02 2.07 -1.97 0.26 116.25 121.85 3ia0 h VAL 83 Ca -0.47 -0.34 -0.08 0.00 0.82 0.00 0.00 66.70 66.63 3ia0 h VAL 83 Cb 1.28 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3ia0 h VAL 83 CO 0.50 0.18 -0.16 1.23 0.02 0.00 0.00 177.57 179.34 3ia0 h GLY 84 N 1.00 0.63 0.88 2.17 0.00 -1.99 -1.36 103.07 104.40 3ia0 h GLY 84 Ca 0.44 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3ia0 h GLY 84 CO -0.23 0.53 0.07 0.00 0.00 0.00 0.00 176.54 176.92 3ia0 h ALA 85 N 0.72 0.33 -0.85 3.60 0.00 -1.81 -1.74 119.26 119.50 3ia0 h ALA 85 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3ia0 h ALA 85 Cb 0.69 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3ia0 h ALA 85 CO 0.05 -0.03 0.42 0.28 0.00 0.00 0.00 179.25 179.96 3ia0 h VAL 86 N 0.23 1.26 -0.54 0.00 2.07 -0.99 -0.30 116.25 117.98 3ia0 h VAL 86 Ca 0.08 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 3ia0 h VAL 86 Cb 0.26 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3ia0 h VAL 86 CO -0.00 0.31 0.01 -0.08 0.02 0.00 0.00 177.57 177.83 3ia0 h GLU 87 N 1.21 0.95 -0.11 1.57 4.81 -1.04 -1.09 114.58 120.89 3ia0 h GLU 87 Ca 0.29 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3ia0 h GLU 87 Cb 0.10 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 3ia0 h GLU 87 CO -0.04 0.96 -0.15 1.49 -0.73 0.00 0.00 179.01 180.54 3ia0 h GLU 88 N 0.83 0.29 -0.53 1.92 4.57 -1.13 -1.53 114.58 119.00 3ia0 h GLU 88 Ca 0.16 -0.17 0.10 0.00 -1.18 0.00 0.00 59.36 58.27 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 0.74 0.06 0.00 -1.18 0.00 0.00 179.01 178.65 3ia0 h ALA 89 N 0.55 0.57 0.32 2.92 0.00 -0.95 0.20 119.26 122.86 3ia0 h ALA 89 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3ia0 h ALA 89 Cb 0.71 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3ia0 h ALA 89 CO 0.04 -0.35 -0.16 -0.07 0.00 0.00 0.00 179.25 178.71 3ia0 h LEU 90 N 0.18 -0.37 -0.42 0.00 3.38 -1.14 -1.04 115.31 115.91 3ia0 h LEU 90 Ca 0.27 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.28 3ia0 h LEU 90 Cb 0.40 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 3ia0 h LEU 90 CO -0.40 -0.19 0.01 -1.28 0.09 0.00 0.00 178.44 176.67 3ia0 h SER 91 N -0.52 -0.15 -0.56 -0.43 0.87 -0.80 -1.98 113.55 109.98 3ia0 h SER 91 Ca -0.04 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3ia0 h SER 91 Cb 0.39 0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.49 3ia0 h SER 91 CO 0.07 -0.04 0.18 1.56 -0.53 0.00 0.00 176.83 178.08 3ia0 h GLN 92 N 0.12 0.86 -0.66 2.24 1.08 -0.55 -2.85 115.11 115.35 3ia0 h GLN 92 Ca 0.21 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 3ia0 h GLN 92 Cb 0.29 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3ia0 h GLN 92 CO -0.33 0.77 0.08 1.15 -0.95 0.00 0.00 178.83 179.55 3ia0 h THR 93 N 0.77 1.26 0.13 -0.54 2.02 -0.77 0.38 112.91 116.17 3ia0 h THR 93 Ca 0.18 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 3ia0 h THR 93 Cb 0.26 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3ia0 h THR 93 CO -0.01 0.40 -0.06 0.58 0.37 0.00 0.00 175.52 176.80 3ia0 h VAL 94 N 1.03 0.97 -0.89 3.16 2.07 -1.31 -2.10 116.25 119.18 3ia0 h VAL 94 Ca 0.20 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3ia0 h VAL 94 Cb 0.47 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3ia0 h VAL 94 CO 0.02 0.10 0.51 0.77 0.02 0.00 0.00 177.57 178.99 3ia0 h SER 95 N -0.37 1.08 -0.85 0.57 4.64 -1.41 -2.49 113.55 114.72 3ia0 h SER 95 Ca -0.02 -0.08 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3ia0 h SER 95 Cb 0.30 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 62.06 3ia0 h SER 95 CO 0.03 0.85 0.56 1.23 -0.87 0.00 0.00 176.83 178.63 3ia0 h GLY 96 N 1.23 1.22 1.03 -0.77 0.00 -0.83 -0.42 103.07 104.52 3ia0 h GLY 96 Ca 0.32 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 3ia0 h GLY 96 CO -0.06 0.32 -0.45 1.41 0.00 0.00 0.00 176.54 177.77 3ia0 h LEU 97 N 1.01 0.83 -1.17 3.11 3.38 -0.96 0.84 115.31 122.35 3ia0 h LEU 97 Ca 0.35 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.71 3ia0 h LEU 97 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3ia0 h LEU 97 CO -0.12 1.20 -0.37 1.23 0.09 0.00 0.00 178.44 180.48 3ia0 h GLY 98 N 0.48 0.10 0.08 0.83 0.00 -1.26 -0.13 103.07 103.17 3ia0 h GLY 98 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ia0 h GLY 98 CO 0.10 0.07 -0.04 -0.09 0.00 0.00 0.00 176.54 176.59 3ia0 h ARG 99 N 0.08 -0.10 -0.47 4.80 2.43 -0.97 -1.49 114.38 118.65 3ia0 h ARG 99 Ca 0.01 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3ia0 h ARG 99 Cb 0.69 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3ia0 h ARG 99 CO 0.05 -0.07 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.37 3ia0 h LEU 100 N -0.87 0.76 -0.78 3.80 3.38 -0.92 -3.34 115.31 117.34 3ia0 h LEU 100 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3ia0 h LEU 100 Cb 0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ia0 h LEU 100 CO 0.02 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.56 3ia0 n LEU 101 N -4.21 0.78 -3.68 1.67 4.77 -0.13 -5.02 117.00 111.18 3ia0 n LEU 101 Ca 0.02 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 54.99 3ia0 n LEU 101 Cb 0.30 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 3ia0 n LEU 101 CO 0.42 0.20 0.06 -3.20 -1.33 0.00 0.00 177.39 173.53 3ia0 n ASN 102 N -0.01 -2.96 -4.80 -1.43 5.15 -0.56 -4.92 115.26 105.72 3ia0 n ASN 102 Ca 0.00 -0.73 -0.32 0.00 -0.60 0.00 0.00 54.58 52.94 3ia0 n ASN 102 Cb 0.05 -4.39 0.04 0.00 -0.53 0.00 0.00 39.78 34.95 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 -3.47 2.95 -0.03 1.20 4.12 -1.12 -4.93 117.35 116.07 3ia0 s TYR 103 Ca 0.24 1.49 -0.30 0.00 0.02 0.00 0.00 57.07 58.52 3ia0 s TYR 103 Cb -0.12 -2.98 -0.04 0.00 -1.52 0.00 0.00 41.96 37.31 3ia0 s TYR 103 CO 0.79 -1.30 1.17 0.99 0.02 0.00 0.00 175.55 177.21 3ia0 s THR 104 N -2.73 4.28 0.52 -0.71 2.01 -0.72 -4.58 115.64 113.70 3ia0 s THR 104 Ca 0.61 1.62 0.06 0.00 0.31 0.00 0.00 61.69 64.29 3ia0 s THR 104 Cb -0.16 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.34 3ia0 s THR 104 CO 0.47 0.04 0.41 -0.76 -0.69 0.00 0.00 174.62 174.08 3ia0 s LEU 105 N 1.84 2.87 0.00 4.42 1.02 -1.26 -0.57 118.68 126.99 3ia0 s LEU 105 Ca 0.56 -1.13 0.05 0.00 0.02 0.00 0.00 54.13 53.63 3ia0 s LEU 105 Cb -0.25 -1.37 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 3ia0 s LEU 105 CO 0.24 -1.00 0.20 0.00 0.02 0.00 0.00 176.35 175.80 3ia0 s GLU 107 N -3.52 4.04 0.33 0.00 0.41 -1.26 -5.01 118.70 113.69 3ia0 s GLU 107 Ca 0.28 0.60 -0.26 0.00 -0.41 0.00 0.00 54.97 55.18 3ia0 s GLU 107 Cb 0.01 -2.77 -0.09 0.00 -1.78 0.00 0.00 34.13 29.50 3ia0 s GLU 107 CO 0.20 0.36 1.00 1.41 -0.49 0.00 0.00 175.26 177.74 3ia0 s MET 108 N -2.31 4.51 0.17 1.61 -2.45 -1.26 -4.31 119.30 115.26 3ia0 s MET 108 Ca 0.44 1.47 0.03 0.00 -1.25 0.00 0.00 55.69 56.37 3ia0 s MET 108 Cb -0.14 -2.84 -0.05 0.00 1.25 0.00 0.00 34.83 33.06 3ia0 s MET 108 CO 0.20 0.18 -0.03 0.95 1.05 0.00 0.00 175.02 177.36 3ia0 s THR 109 N -1.52 0.88 -0.03 10.11 -4.23 -0.61 -5.03 115.64 115.22 3ia0 s THR 109 Ca 0.50 -2.01 -0.13 0.00 -1.18 0.00 0.00 61.69 58.87 3ia0 s THR 109 Cb -0.22 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.59 3ia0 s THR 109 CO 0.28 -0.56 0.29 -1.59 -0.54 0.00 0.00 174.62 172.51 3ia0 s LYS 110 N -3.85 0.60 -0.09 3.99 0.00 -1.26 0.38 119.74 119.51 3ia0 s LYS 110 Ca 0.22 -0.11 0.02 0.00 0.00 0.00 0.00 55.97 56.10 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 0.03 -0.15 -0.17 -1.12 0.00 0.00 0.00 175.35 173.94 3ia0 s SER 111 N -1.08 2.42 0.10 0.03 0.01 0.11 -4.92 113.70 110.37 3ia0 s SER 111 Ca -0.11 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.77 3ia0 s SER 111 Cb -0.05 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.04 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 0.73 2.37 0.00 2.44 1.43 -1.26 -2.14 118.68 122.25 3ia0 s LEU 112 Ca -0.12 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 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 -0.16 0.00 -0.62 0.23 0.00 0.00 176.35 175.82