#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i96 s ASP 2 N 0.00 5.06 0.35 6.12 1.01 -1.26 -4.95 116.67 122.99 3i96 s ASP 2 Ca 0.00 2.43 -0.28 0.00 0.71 0.00 0.00 52.55 55.41 3i96 s ASP 2 Cb 0.00 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 3i96 s ASP 2 CO 0.00 -1.68 1.37 -0.54 0.21 0.00 0.00 175.17 174.53 3i96 s LYS 3 N -3.36 4.27 0.36 8.23 1.02 -1.26 -4.97 119.74 124.04 3i96 s LYS 3 Ca 0.78 2.34 -0.28 0.00 0.02 0.00 0.00 55.97 58.84 3i96 s LYS 3 Cb -0.32 -3.04 -0.10 0.00 -0.52 0.00 0.00 37.83 33.86 3i96 s LYS 3 CO 0.34 -0.31 1.32 -2.00 -0.92 0.00 0.00 175.35 173.79 3i96 s GLU 4 N -1.88 4.20 -0.13 1.68 2.12 -1.26 -5.03 118.70 118.41 3i96 s GLU 4 Ca 0.50 2.23 -0.05 0.00 0.36 0.00 0.00 54.97 58.01 3i96 s GLU 4 Cb -0.42 -2.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 3i96 s GLU 4 CO 0.56 -0.32 0.05 1.03 -0.54 0.00 0.00 175.26 176.04 3i96 s ARG 5 N -1.98 3.45 -0.05 4.30 0.52 -1.26 -5.10 118.95 118.83 3i96 s ARG 5 Ca 0.52 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 3i96 s ARG 5 Cb -0.40 -3.02 0.01 0.00 0.52 0.00 0.00 34.95 32.06 3i96 s ARG 5 CO 0.52 0.55 -0.09 0.42 0.02 0.00 0.00 175.30 176.73 3i96 s ILE 6 N -0.44 0.83 0.00 1.52 1.01 -1.26 -5.12 121.20 117.75 3i96 s ILE 6 Ca 0.09 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 3i96 s ILE 6 Cb -0.12 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 3i96 s ILE 6 CO 0.02 0.28 1.21 -0.63 0.00 0.00 0.00 174.94 175.82 3i96 s ILE 7 N 0.66 4.14 -0.09 2.92 1.01 -1.26 -5.03 121.20 123.55 3i96 s ILE 7 Ca -0.11 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.06 3i96 s ILE 7 Cb -0.14 -3.97 0.02 0.00 0.01 0.00 0.00 42.46 38.38 3i96 s ILE 7 CO 0.02 0.06 -0.11 -1.58 0.00 0.00 0.00 174.94 173.32 3i96 s GLN 8 N 1.65 1.75 0.15 2.79 2.00 -1.26 -5.12 119.66 121.62 3i96 s GLN 8 Ca 0.58 -0.39 -0.30 0.00 -2.00 0.00 0.00 55.36 53.25 3i96 s GLN 8 Cb -0.27 -1.56 -0.07 0.00 0.80 0.00 0.00 33.01 31.91 3i96 s GLN 8 CO 0.26 -0.09 0.94 -1.21 -0.50 0.00 0.00 175.29 174.68 3i96 s GLU 9 N 1.07 4.73 0.05 1.67 2.02 -1.26 -5.06 118.70 121.93 3i96 s GLU 9 Ca -0.06 1.43 0.04 0.00 0.02 0.00 0.00 54.97 56.40 3i96 s GLU 9 Cb -0.15 -3.34 -0.02 0.00 0.10 0.00 0.00 34.13 30.72 3i96 s GLU 9 CO -0.01 0.33 -0.12 -0.59 0.02 0.00 0.00 175.26 174.88 3i96 s PHE 10 N -0.43 1.07 0.03 1.61 -0.12 -1.26 -5.15 117.98 113.73 3i96 s PHE 10 Ca 0.44 -0.41 0.05 0.00 -0.05 0.00 0.00 56.93 56.96 3i96 s PHE 10 Cb -0.24 -0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 41.51 3i96 s PHE 10 CO 0.30 0.02 -0.15 0.14 -0.05 0.00 0.00 175.22 175.48 3i96 s VAL 11 N -1.07 1.18 0.31 -2.49 -7.23 -1.26 -5.13 120.40 104.70 3i96 s VAL 11 Ca -0.02 -0.94 -0.28 0.00 -1.81 0.00 0.00 61.98 58.93 3i96 s VAL 11 Cb -0.09 -1.04 -0.09 0.00 0.56 0.00 0.00 36.38 35.72 3i96 s VAL 11 CO 0.01 0.09 1.03 -2.16 -0.31 0.00 0.00 175.10 173.77 3i96 s PRO 12 N -0.98 4.55 0.72 4.82 0.04 -1.26 -5.05 135.00 137.84 3i96 s PRO 12 Ca 0.03 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 3i96 s PRO 12 Cb -0.07 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.51 3i96 s PRO 12 CO 0.01 0.19 1.11 0.20 0.04 0.00 0.00 177.00 178.54 3i96 s GLY 13 N -1.22 1.62 -0.49 0.56 0.00 -1.26 -4.78 107.32 101.75 3i96 s GLY 13 Ca 0.48 -0.38 -0.15 0.00 0.00 0.00 0.00 44.72 44.67 3i96 s GLY 13 CO 0.33 0.00 0.42 0.54 0.00 0.00 0.00 173.10 174.40 3i96 s LYS 14 N -5.38 2.92 -0.13 2.90 1.02 -1.26 -2.95 119.74 116.87 3i96 s LYS 14 Ca 0.59 -1.51 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 3i96 s LYS 14 Cb -0.11 -4.15 0.04 0.00 -0.52 0.00 0.00 37.83 33.08 3i96 s LYS 14 CO 0.51 -1.14 0.33 -1.14 -0.92 0.00 0.00 175.35 173.00 3i96 s GLN 15 N 1.59 0.37 -0.41 1.68 0.74 -0.02 -1.27 119.66 122.33 3i96 s GLN 15 Ca 0.04 0.51 -0.16 0.00 0.05 0.00 0.00 55.36 55.79 3i96 s GLN 15 Cb -0.26 0.13 0.02 0.00 1.10 0.00 0.00 33.01 34.00 3i96 s GLN 15 CO 0.05 -0.07 0.36 0.08 -0.55 0.00 0.00 175.29 175.15 3i96 s VAL 16 N 0.42 5.18 -0.03 1.34 1.01 -0.01 -1.34 120.40 126.98 3i96 s VAL 16 Ca -0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3i96 s VAL 16 Cb -0.04 -3.98 -0.28 0.00 0.00 0.00 0.00 36.38 32.08 3i96 s VAL 16 CO -0.02 -0.36 0.72 0.74 0.00 0.00 0.00 175.10 176.18 3i96 h THR 17 N 5.67 0.99 -4.13 3.92 2.02 -1.50 -2.96 112.91 116.93 3i96 h THR 17 Ca -0.27 -2.63 -0.44 0.00 0.77 0.00 0.00 66.41 63.83 3i96 h THR 17 Cb 1.12 2.71 -0.29 0.00 -1.74 0.00 0.00 68.15 69.95 3i96 h THR 17 CO 0.76 0.82 -0.80 -0.76 0.37 0.00 0.00 175.52 175.91 3i96 s LEU 18 N -7.05 2.03 -0.42 2.58 1.43 -1.24 -4.84 118.68 111.17 3i96 s LEU 18 Ca -0.13 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3i96 s LEU 18 Cb 0.06 -0.61 0.17 0.00 0.03 0.00 0.00 46.19 45.84 3i96 s LEU 18 CO 0.84 0.14 0.46 0.00 0.23 0.00 0.00 176.35 178.03 3i96 s ALA 19 N -0.31 -0.32 -0.07 4.21 0.00 -1.23 -2.32 121.76 121.72 3i96 s ALA 19 Ca 0.04 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.76 3i96 s ALA 19 Cb -0.05 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.97 3i96 s ALA 19 CO -0.00 -2.12 -0.21 -1.58 0.00 0.00 0.00 175.76 171.85 3i96 s HIS 20 N 0.84 2.20 -0.31 0.00 5.04 -0.04 -1.88 115.29 121.14 3i96 s HIS 20 Ca 0.26 -0.78 -0.15 0.00 -1.54 0.00 0.00 55.06 52.85 3i96 s HIS 20 Cb -0.05 -1.48 -0.03 0.00 0.04 0.00 0.00 32.58 31.07 3i96 s HIS 20 CO -0.09 -0.29 0.35 -1.17 -2.34 0.00 0.00 174.74 171.19 3i96 s LEU 21 N 0.19 4.23 -0.50 8.88 2.96 -0.15 -0.69 118.68 133.61 3i96 s LEU 21 Ca -0.11 -0.00 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 3i96 s LEU 21 Cb -0.15 -2.35 0.07 0.00 0.50 0.00 0.00 46.19 44.26 3i96 s LEU 21 CO 0.05 -0.24 0.55 -0.63 -1.32 0.00 0.00 176.35 174.76 3i96 s ILE 22 N 2.01 5.01 0.07 6.68 1.01 0.68 -1.00 121.20 135.66 3i96 s ILE 22 Ca 0.12 -0.74 -0.27 0.00 0.00 0.00 0.00 60.65 59.77 3i96 s ILE 22 Cb -0.16 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 3i96 s ILE 22 CO 0.11 -0.74 0.85 0.00 0.00 0.00 0.00 174.94 175.16 3i96 s ALA 23 N 2.26 3.31 -0.99 9.38 0.00 -0.48 -1.50 121.76 133.75 3i96 s ALA 23 Ca 0.11 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.39 3i96 s ALA 23 Cb -0.21 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3i96 s ALA 23 CO 0.10 0.02 0.81 0.72 0.00 0.00 0.00 175.76 177.41 3i96 n HIS 24 N 2.80 -2.39 0.11 0.00 8.25 0.18 -4.89 115.22 119.28 3i96 n HIS 24 Ca -0.00 0.80 0.03 0.00 -0.26 0.00 0.00 57.72 58.28 3i96 n HIS 24 Cb 0.50 -3.82 0.41 0.00 1.12 0.00 0.00 29.99 28.20 3i96 n HIS 24 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3i96 h PRO 25 N -0.92 0.26 0.00 -0.41 0.13 -1.77 -3.49 132.00 125.81 3i96 h PRO 25 Ca -0.49 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 3i96 h PRO 25 Cb 1.26 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3i96 h PRO 25 CO 0.41 0.35 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 3i96 n GLY 26 N -1.01 -1.02 0.17 1.56 0.00 -1.26 -4.31 105.19 99.32 3i96 n GLY 26 Ca -0.00 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.27 3i96 n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i96 h GLU 27 N 0.00 0.50 0.06 1.61 5.08 -1.98 -2.24 114.58 117.62 3i96 h GLU 27 Ca 0.00 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3i96 h GLU 27 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3i96 h GLU 27 CO 0.00 0.76 -0.09 1.49 -1.00 0.00 0.00 179.01 180.17 3i96 h GLU 28 N 0.23 -0.18 -0.51 2.33 4.81 -2.00 -1.11 114.58 118.16 3i96 h GLU 28 Ca 0.06 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 3i96 h GLU 28 Cb 0.60 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3i96 h GLU 28 CO 0.03 -0.12 0.06 1.25 -0.73 0.00 0.00 179.01 179.50 3i96 h LEU 29 N -0.18 0.83 -0.52 1.64 5.85 -1.74 -1.25 115.31 119.93 3i96 h LEU 29 Ca 0.02 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3i96 h LEU 29 Cb 0.20 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3i96 h LEU 29 CO -0.05 0.90 0.30 0.00 -0.34 0.00 0.00 178.44 179.25 3i96 h ALA 30 N 0.96 0.67 -0.69 1.25 0.00 -1.24 0.11 119.26 120.32 3i96 h ALA 30 Ca 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3i96 h ALA 30 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3i96 h ALA 30 CO 0.02 -0.00 0.37 -0.22 0.00 0.00 0.00 179.25 179.41 3i96 h LYS 31 N 0.60 0.97 -0.22 0.00 3.64 -0.92 0.17 116.57 120.81 3i96 h LYS 31 Ca 0.21 -0.12 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3i96 h LYS 31 Cb 0.05 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3i96 h LYS 31 CO -0.11 0.73 -0.41 0.87 -2.27 0.00 0.00 179.45 178.26 3i96 h LYS 32 N 0.95 0.53 -0.29 1.90 1.79 -0.64 -2.56 116.57 118.25 3i96 h LYS 32 Ca 0.24 -0.27 -0.15 0.00 -2.18 0.00 0.00 60.65 58.30 3i96 h LYS 32 Cb 0.06 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3i96 h LYS 32 CO -0.04 0.85 -0.41 0.82 -1.08 0.00 0.00 179.45 179.59 3i96 h ILE 33 N 0.43 1.29 -0.13 1.86 2.04 -0.60 -3.48 117.51 118.93 3i96 h ILE 33 Ca 0.04 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3i96 h ILE 33 Cb 0.91 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3i96 h ILE 33 CO 0.08 0.51 0.00 0.61 0.00 0.00 0.00 178.15 179.35 3i96 n GLY 34 N 0.06 1.15 3.25 5.37 0.00 0.51 -5.08 105.19 110.44 3i96 n GLY 34 Ca -0.02 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3i96 n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i96 s VAL 35 N -2.13 0.96 0.68 1.61 -7.23 -0.62 -4.96 120.40 108.71 3i96 s VAL 35 Ca 0.00 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 57.99 3i96 s VAL 35 Cb 0.00 -1.95 0.01 0.00 0.56 0.00 0.00 36.38 35.00 3i96 s VAL 35 CO 0.00 -0.65 1.24 -2.84 -0.31 0.00 0.00 175.10 172.54 3i96 s PRO 36 N -3.82 2.43 0.32 4.82 0.02 -1.26 -4.13 135.00 133.38 3i96 s PRO 36 Ca 0.19 1.88 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 3i96 s PRO 36 Cb 0.04 -1.85 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 3i96 s PRO 36 CO 0.01 -1.64 1.46 0.34 -0.33 0.00 0.00 177.00 176.84 3i96 s ASP 37 N -1.73 6.51 0.32 2.53 3.68 -1.26 -4.94 116.67 121.79 3i96 s ASP 37 Ca 0.78 2.87 -0.07 0.00 2.13 0.00 0.00 52.55 58.25 3i96 s ASP 37 Cb -0.32 -2.65 0.01 0.00 -1.45 0.00 0.00 42.92 38.51 3i96 s ASP 37 CO 0.41 -0.77 0.51 0.00 0.13 0.00 0.00 175.17 175.46 3i96 s ALA 38 N -0.68 0.29 0.43 3.66 0.00 -1.26 -5.03 121.76 119.18 3i96 s ALA 38 Ca 0.55 -1.24 0.09 0.00 0.00 0.00 0.00 51.96 51.36 3i96 s ALA 38 Cb -0.44 1.07 0.94 0.00 0.00 0.00 0.00 23.12 24.69 3i96 s ALA 38 CO 0.54 -0.83 2.06 0.78 0.00 0.00 0.00 175.76 178.31 3i96 h GLY 39 N 2.14 0.41 -3.71 0.00 0.00 -1.86 -3.40 103.07 96.64 3i96 h GLY 39 Ca -0.28 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 46.81 3i96 h GLY 39 CO 0.38 0.16 -0.03 0.00 0.00 0.00 0.00 176.54 177.05 3i96 s ALA 40 N -5.31 -1.18 -0.05 3.60 0.00 -0.33 -0.65 121.76 117.85 3i96 s ALA 40 Ca -0.07 0.47 0.04 0.00 0.00 0.00 0.00 51.96 52.40 3i96 s ALA 40 Cb 0.17 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 3i96 s ALA 40 CO 0.72 -0.48 -0.19 0.42 0.00 0.00 0.00 175.76 176.23 3i96 s ILE 41 N -2.41 1.58 -0.11 0.00 1.01 -0.56 -2.49 121.20 118.22 3i96 s ILE 41 Ca -0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3i96 s ILE 41 Cb -0.01 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 3i96 s ILE 41 CO -0.02 0.45 -0.03 -0.83 0.00 0.00 0.00 174.94 174.52 3i96 s GLY 42 N 0.08 1.77 -0.15 6.18 0.00 0.46 -0.23 107.32 115.43 3i96 s GLY 42 Ca -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.84 3i96 s GLY 42 CO 0.03 -0.41 -0.19 -0.42 0.00 0.00 0.00 173.10 172.12 3i96 s ILE 43 N -0.42 1.88 0.04 0.90 -1.09 0.13 -1.19 121.20 121.45 3i96 s ILE 43 Ca 0.07 -0.84 0.07 0.00 -2.23 0.00 0.00 60.65 57.72 3i96 s ILE 43 Cb -0.12 -1.70 -0.02 0.00 -1.58 0.00 0.00 42.46 39.03 3i96 s ILE 43 CO 0.02 0.51 -0.20 -0.04 -1.23 0.00 0.00 174.94 174.00 3i96 s MET 44 N 1.18 1.35 -0.15 2.79 -1.94 0.18 -0.86 119.30 121.85 3i96 s MET 44 Ca 0.01 -0.91 0.02 0.00 -1.71 0.00 0.00 55.69 53.09 3i96 s MET 44 Cb -0.14 -1.45 0.01 0.00 2.01 0.00 0.00 34.83 35.26 3i96 s MET 44 CO -0.08 0.37 -0.20 0.99 -0.01 0.00 0.00 175.02 176.09 3i96 s THR 45 N -0.79 2.17 -0.02 2.05 2.01 -0.98 -1.56 115.64 118.52 3i96 s THR 45 Ca 0.07 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.21 3i96 s THR 45 Cb -0.09 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.51 3i96 s THR 45 CO 0.02 0.54 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.50 3i96 s LEU 46 N 0.95 2.29 -0.05 4.42 2.01 0.30 -1.27 118.68 127.33 3i96 s LEU 46 Ca -0.04 -0.40 0.01 0.00 0.01 0.00 0.00 54.13 53.72 3i96 s LEU 46 Cb -0.15 -1.41 0.02 0.00 0.01 0.00 0.00 46.19 44.66 3i96 s LEU 46 CO -0.04 0.32 -0.07 -0.89 1.01 0.00 0.00 176.35 176.68 3i96 s THR 47 N -0.68 0.69 0.70 5.49 2.01 -0.45 -3.52 115.64 119.88 3i96 s THR 47 Ca 0.11 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.72 3i96 s THR 47 Cb -0.10 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.74 3i96 s THR 47 CO 0.00 0.25 1.04 -2.65 -0.69 0.00 0.00 174.62 172.58 3i96 n PRO 48 N 3.89 0.64 -0.07 4.92 -0.02 -1.15 -0.84 135.00 142.36 3i96 n PRO 48 Ca -0.24 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.63 3i96 n PRO 48 Cb 0.51 -2.29 0.50 0.00 -0.02 0.00 0.00 33.50 32.20 3i96 n PRO 48 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3i96 h GLY 49 N -0.08 0.56 2.00 -1.23 0.00 -1.78 -2.20 103.07 100.35 3i96 h GLY 49 Ca -0.48 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3i96 h GLY 49 CO 0.48 0.10 0.00 1.05 0.00 0.00 0.00 176.54 178.18 3i96 h GLU 50 N 0.41 0.00 0.00 4.80 9.09 -1.74 -2.04 114.58 125.10 3i96 h GLU 50 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 3i96 h GLU 50 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3i96 h GLU 50 CO -0.07 0.00 0.00 1.15 0.05 0.00 0.00 179.01 180.14 3i96 h THR 51 N 0.00 0.00 -0.74 -1.06 2.02 -1.69 -2.84 112.91 108.60 3i96 h THR 51 Ca 0.00 -0.11 0.19 0.00 0.77 0.00 0.00 66.41 67.26 3i96 h THR 51 Cb 0.18 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 3i96 h THR 51 CO 0.00 0.00 0.52 0.00 0.37 0.00 0.00 175.52 176.41 3i96 h ALA 52 N 2.10 2.46 -0.02 6.16 0.00 -1.59 -0.45 119.26 127.93 3i96 h ALA 52 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i96 h ALA 52 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3i96 h ALA 52 CO 0.00 -0.68 -0.01 0.52 0.00 0.00 0.00 179.25 179.08 3i96 h MET 53 N 0.16 0.03 -0.76 0.00 2.86 -1.77 -0.85 114.93 114.60 3i96 h MET 53 Ca 0.36 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 3i96 h MET 53 Cb 1.19 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.81 3i96 h MET 53 CO -0.06 0.48 0.45 0.82 1.06 0.00 0.00 176.91 179.66 3i96 h ILE 54 N -0.41 1.22 -0.87 -1.22 2.04 -1.69 -2.41 117.51 114.18 3i96 h ILE 54 Ca 0.00 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3i96 h ILE 54 Cb 0.47 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3i96 h ILE 54 CO 0.00 0.23 0.51 0.00 0.00 0.00 0.00 178.15 178.90 3i96 h ALA 55 N 1.24 1.10 -0.69 1.87 0.00 -1.02 -0.39 119.26 121.38 3i96 h ALA 55 Ca 0.27 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3i96 h ALA 55 Cb -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 3i96 h ALA 55 CO -0.05 0.57 0.27 0.78 0.00 0.00 0.00 179.25 180.82 3i96 h GLY 56 N 1.19 1.12 0.99 0.00 0.00 -0.87 -0.56 103.07 104.95 3i96 h GLY 56 Ca 0.31 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3i96 h GLY 56 CO -0.06 0.58 0.07 -0.55 0.00 0.00 0.00 176.54 176.59 3i96 h ASP 57 N 0.99 0.82 -0.82 0.19 3.32 -0.93 -1.59 116.42 118.40 3i96 h ASP 57 Ca 0.23 -0.27 0.02 0.00 0.02 0.00 0.00 57.03 57.03 3i96 h ASP 57 Cb 0.22 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3i96 h ASP 57 CO -0.02 0.88 0.53 -0.07 -1.72 0.00 0.00 179.24 178.85 3i96 h LEU 58 N 0.73 0.90 -0.31 1.55 3.38 -0.78 -2.37 115.31 118.41 3i96 h LEU 58 Ca 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3i96 h LEU 58 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3i96 h LEU 58 CO 0.01 0.64 0.13 0.00 0.09 0.00 0.00 178.44 179.30 3i96 h ALA 59 N 1.32 0.40 -0.55 1.53 0.00 -0.80 -2.22 119.26 118.94 3i96 h ALA 59 Ca 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i96 h ALA 59 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3i96 h ALA 59 CO -0.09 -0.01 0.21 -0.07 0.00 0.00 0.00 179.25 179.29 3i96 h LEU 60 N 0.35 0.73 -0.57 0.00 3.38 -1.16 -2.48 115.31 115.57 3i96 h LEU 60 Ca 0.10 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3i96 h LEU 60 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3i96 h LEU 60 CO -0.01 0.67 -0.32 0.11 0.09 0.00 0.00 178.44 178.98 3i96 h LYS 61 N 0.79 0.00 0.02 1.13 6.56 -1.25 -3.31 116.57 120.52 3i96 h LYS 61 Ca 0.19 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.56 3i96 h LYS 61 Cb 0.18 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.81 3i96 h LYS 61 CO -0.02 0.32 -1.03 0.00 -2.06 0.00 0.00 179.45 176.67 3i96 h ALA 62 N 1.68 0.32 -2.63 3.86 0.00 -0.93 -3.49 119.26 118.07 3i96 h ALA 62 Ca -0.00 -0.90 0.12 0.00 0.00 0.00 0.00 54.91 54.12 3i96 h ALA 62 Cb 1.02 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3i96 h ALA 62 CO 0.04 1.21 0.41 0.00 0.00 0.00 0.00 179.25 180.91 3i96 s ALA 63 N -2.71 -1.40 -1.36 0.00 0.00 -1.15 -4.75 121.76 110.38 3i96 s ALA 63 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 3i96 s ALA 63 Cb 0.10 0.72 0.10 0.00 0.00 0.00 0.00 23.12 24.04 3i96 s ALA 63 CO 0.83 -1.04 2.02 -3.47 0.00 0.00 0.00 175.76 174.10 3i96 n ASP 64 N -0.73 4.50 -4.75 0.00 2.03 -1.26 -4.64 116.55 111.70 3i96 n ASP 64 Ca -0.05 -2.97 -0.25 0.00 0.52 0.00 0.00 54.79 52.04 3i96 n ASP 64 Cb 0.60 -1.58 -0.07 0.00 -0.72 0.00 0.00 41.12 39.35 3i96 n ASP 64 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3i96 s VAL 65 N 1.95 2.21 0.08 5.18 -7.23 -1.26 -4.59 120.40 116.75 3i96 s VAL 65 Ca 0.44 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.98 3i96 s VAL 65 Cb 0.11 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3i96 s VAL 65 CO -0.04 0.00 -0.18 -1.00 -0.31 0.00 0.00 175.10 173.57 3i96 s HIS 66 N -2.62 1.58 -0.23 2.82 3.76 -0.16 -4.86 115.29 115.57 3i96 s HIS 66 Ca 0.39 -0.42 -0.29 0.00 -0.15 0.00 0.00 55.06 54.59 3i96 s HIS 66 Cb 0.04 -0.88 0.01 0.00 1.11 0.00 0.00 32.58 32.85 3i96 s HIS 66 CO 0.22 0.14 1.07 0.42 -0.85 0.00 0.00 174.74 175.74 3i96 s ILE 67 N -1.16 4.61 -0.07 0.60 -1.09 -1.26 -1.38 121.20 121.45 3i96 s ILE 67 Ca 0.04 1.94 -0.05 0.00 -2.23 0.00 0.00 60.65 60.35 3i96 s ILE 67 Cb -0.10 -4.28 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 3i96 s ILE 67 CO 0.03 -0.20 0.22 1.23 -1.23 0.00 0.00 174.94 174.99 3i96 h GLY 68 N 9.55 -0.19 -4.71 6.18 0.00 -0.52 -3.48 103.07 109.90 3i96 h GLY 68 Ca -0.20 0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.05 3i96 h GLY 68 CO 0.98 -0.07 -0.52 -1.36 0.00 0.00 0.00 176.54 175.57 3i96 s PHE 69 N -2.13 0.09 -0.06 5.60 0.08 -0.94 -4.97 117.98 115.64 3i96 s PHE 69 Ca -0.03 -0.23 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 3i96 s PHE 69 Cb 0.00 -0.08 0.04 0.00 -0.57 0.00 0.00 43.02 42.41 3i96 s PHE 69 CO 0.08 -0.28 0.11 -1.17 -0.10 0.00 0.00 175.22 173.86 3i96 s LEU 70 N -1.48 0.29 -0.32 -0.37 0.20 -1.26 -0.95 118.68 114.80 3i96 s LEU 70 Ca -0.14 0.22 0.01 0.00 0.69 0.00 0.00 54.13 54.91 3i96 s LEU 70 Cb -0.07 0.13 0.10 0.00 -0.43 0.00 0.00 46.19 45.92 3i96 s LEU 70 CO 0.01 -0.21 0.07 -0.62 -0.29 0.00 0.00 176.35 175.30 3i96 s ASP 71 N 1.88 4.32 0.21 3.68 -1.08 -0.04 -4.99 116.67 120.66 3i96 s ASP 71 Ca -0.00 -1.82 0.22 0.00 -0.52 0.00 0.00 52.55 50.42 3i96 s ASP 71 Cb -0.12 -1.20 0.91 0.00 -1.46 0.00 0.00 42.92 41.05 3i96 s ASP 71 CO -0.05 -0.39 1.66 -2.11 0.52 0.00 0.00 175.17 174.81 3i96 n ARG 72 N 4.59 0.16 -0.06 4.34 1.85 -1.26 -0.98 116.66 125.29 3i96 n ARG 72 Ca -0.00 0.39 -0.21 0.00 -1.00 0.00 0.00 57.85 57.03 3i96 n ARG 72 Cb 0.42 -1.80 -0.13 0.00 -1.05 0.00 0.00 32.46 29.90 3i96 n ARG 72 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3i96 h PHE 73 N 0.00 0.18 0.00 2.89 3.57 -1.94 -2.38 116.94 119.26 3i96 h PHE 73 Ca 0.00 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.37 3i96 h PHE 73 Cb 0.33 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3i96 h PHE 73 CO 0.00 1.54 -0.26 0.66 -2.23 0.00 0.00 178.31 178.02 3i96 h SER 74 N -0.66 0.00 0.00 0.41 4.64 -1.86 -3.43 113.55 112.65 3i96 h SER 74 Ca -0.34 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3i96 h SER 74 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3i96 h SER 74 CO -0.09 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 3i96 n GLY 75 N 1.25 0.40 3.82 -0.77 0.00 -0.15 -4.81 105.19 104.93 3i96 n GLY 75 Ca 0.04 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 3i96 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i96 s ALA 76 N -2.00 3.63 -0.07 4.61 0.00 -1.05 -0.54 121.76 126.34 3i96 s ALA 76 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3i96 s ALA 76 Cb 0.00 -2.53 0.02 0.00 0.00 0.00 0.00 23.12 20.61 3i96 s ALA 76 CO 0.00 0.43 -0.05 -1.17 0.00 0.00 0.00 175.76 174.97 3i96 s LEU 77 N -1.13 1.15 -0.14 0.00 2.96 -0.60 -0.86 118.68 120.06 3i96 s LEU 77 Ca 0.27 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3i96 s LEU 77 Cb -0.18 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 45.91 3i96 s LEU 77 CO 0.17 -0.09 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.26 3i96 s VAL 78 N 1.37 1.65 0.32 1.68 1.01 -0.13 -0.65 120.40 125.65 3i96 s VAL 78 Ca -0.03 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.35 3i96 s VAL 78 Cb -0.14 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 3i96 s VAL 78 CO -0.03 0.47 -0.13 0.27 0.00 0.00 0.00 175.10 175.68 3i96 s ILE 79 N 1.29 2.31 0.08 2.22 -4.36 -0.33 0.25 121.20 122.65 3i96 s ILE 79 Ca 0.01 -2.28 -0.11 0.00 -0.26 0.00 0.00 60.65 58.01 3i96 s ILE 79 Cb -0.14 -2.50 0.01 0.00 1.25 0.00 0.00 42.46 41.08 3i96 s ILE 79 CO -0.08 -0.28 0.24 -0.72 0.24 0.00 0.00 174.94 174.34 3i96 s TYR 80 N -2.59 0.04 -4.87 1.37 -0.85 -0.48 -0.41 117.35 109.56 3i96 s TYR 80 Ca 0.31 -0.36 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 3i96 s TYR 80 Cb -0.00 0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.36 3i96 s TYR 80 CO 0.16 -0.54 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 3i96 n GLY 81 N 0.17 -0.49 3.77 5.49 0.00 -1.04 -0.99 105.19 112.09 3i96 n GLY 81 Ca -0.17 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 3i96 n GLY 81 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i96 s SER 82 N -4.00 4.69 0.17 1.61 1.04 -1.26 -1.18 113.70 114.77 3i96 s SER 82 Ca 0.00 1.90 -0.15 0.00 0.48 0.00 0.00 55.95 58.18 3i96 s SER 82 Cb 0.00 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.71 3i96 s SER 82 CO 0.00 -1.91 1.72 0.58 0.98 0.00 0.00 173.24 174.61 3i96 h VAL 83 N -0.72 0.77 -0.65 5.02 2.07 -1.90 -0.10 116.25 120.74 3i96 h VAL 83 Ca -0.45 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3i96 h VAL 83 Cb 1.24 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3i96 h VAL 83 CO 0.52 0.04 0.36 1.23 0.02 0.00 0.00 177.57 179.74 3i96 h GLY 84 N 0.21 0.96 0.89 2.17 0.00 -1.98 -1.10 103.07 104.22 3i96 h GLY 84 Ca 0.20 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3i96 h GLY 84 CO -0.27 0.41 -0.07 0.00 0.00 0.00 0.00 176.54 176.61 3i96 h ALA 85 N 1.18 0.40 -0.65 3.60 0.00 -1.84 -1.76 119.26 120.19 3i96 h ALA 85 Ca 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3i96 h ALA 85 Cb 0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3i96 h ALA 85 CO -0.04 0.22 0.25 0.28 0.00 0.00 0.00 179.25 179.96 3i96 h VAL 86 N 0.33 1.24 -0.27 0.00 2.07 -0.91 0.17 116.25 118.88 3i96 h VAL 86 Ca 0.08 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.86 3i96 h VAL 86 Cb 0.55 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3i96 h VAL 86 CO 0.03 0.30 0.12 -0.08 0.02 0.00 0.00 177.57 177.96 3i96 h GLU 87 N 0.92 0.26 -0.43 1.57 4.81 -1.09 -0.05 114.58 120.57 3i96 h GLU 87 Ca 0.22 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3i96 h GLU 87 Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3i96 h GLU 87 CO -0.02 0.17 0.16 1.49 -0.73 0.00 0.00 179.01 180.08 3i96 h GLU 88 N 0.27 0.65 -0.39 1.92 4.57 -1.12 -0.91 114.58 119.57 3i96 h GLU 88 Ca 0.11 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3i96 h GLU 88 Cb 0.04 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 3i96 h GLU 88 CO -0.08 0.62 0.21 0.00 -1.18 0.00 0.00 179.01 178.57 3i96 h ALA 89 N 1.00 0.50 -0.17 2.92 0.00 -0.71 -0.28 119.26 122.51 3i96 h ALA 89 Ca 0.14 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i96 h ALA 89 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i96 h ALA 89 CO -0.01 0.03 0.09 -0.07 0.00 0.00 0.00 179.25 179.29 3i96 h LEU 90 N 0.49 0.22 -0.51 0.00 3.38 -0.87 -1.10 115.31 116.92 3i96 h LEU 90 Ca 0.14 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i96 h LEU 90 Cb 0.07 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3i96 h LEU 90 CO -0.02 0.24 0.34 0.28 0.09 0.00 0.00 178.44 179.37 3i96 h SER 91 N 0.17 0.58 0.86 -0.43 0.02 -0.97 -1.65 113.55 112.14 3i96 h SER 91 Ca 0.06 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 3i96 h SER 91 Cb 0.07 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3i96 h SER 91 CO -0.01 0.42 -0.59 1.56 -1.14 0.00 0.00 176.83 177.08 3i96 h GLN 92 N 0.69 0.00 -0.07 3.45 1.08 -0.98 -1.73 115.11 117.55 3i96 h GLN 92 Ca 0.19 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 3i96 h GLN 92 Cb -0.08 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3i96 h GLN 92 CO -0.04 0.59 -0.07 1.15 -0.95 0.00 0.00 178.83 179.50 3i96 h THR 93 N 0.00 1.37 -0.44 -0.54 2.02 -0.91 -0.89 112.91 113.53 3i96 h THR 93 Ca -0.01 -1.24 -0.01 0.00 0.77 0.00 0.00 66.41 65.92 3i96 h THR 93 Cb 1.18 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 3i96 h THR 93 CO 0.08 0.34 0.23 1.62 0.37 0.00 0.00 175.52 178.16 3i96 h VAL 94 N -0.27 1.17 -0.70 3.16 3.04 -1.29 -1.55 116.25 119.81 3i96 h VAL 94 Ca 0.01 -0.44 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 3i96 h VAL 94 Cb 0.59 0.65 -0.03 0.00 -2.01 0.00 0.00 31.29 30.49 3i96 h VAL 94 CO 0.02 0.18 0.35 0.77 -1.01 0.00 0.00 177.57 177.88 3i96 h SER 95 N 0.58 0.90 -0.50 3.17 4.64 -1.31 -1.71 113.55 119.31 3i96 h SER 95 Ca 0.15 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3i96 h SER 95 Cb 0.07 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3i96 h SER 95 CO -0.02 0.76 0.20 1.23 -0.87 0.00 0.00 176.83 178.13 3i96 h GLY 96 N 0.97 0.81 1.17 -0.77 0.00 -0.97 0.61 103.07 104.89 3i96 h GLY 96 Ca 0.24 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3i96 h GLY 96 CO -0.03 0.42 0.44 1.41 0.00 0.00 0.00 176.54 178.77 3i96 h LEU 97 N 0.67 0.97 0.23 3.11 3.38 -1.08 -0.53 115.31 122.06 3i96 h LEU 97 Ca 0.17 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i96 h LEU 97 Cb 0.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i96 h LEU 97 CO -0.01 0.78 -0.11 1.23 0.09 0.00 0.00 178.44 180.42 3i96 h GLY 98 N 1.13 -0.32 1.10 0.83 0.00 -1.05 -2.12 103.07 102.64 3i96 h GLY 98 Ca 0.28 0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.61 3i96 h GLY 98 CO -0.05 -0.12 -0.15 3.21 0.00 0.00 0.00 176.54 179.43 3i96 h ARG 99 N -0.66 1.02 0.01 4.80 3.08 -0.75 -1.82 114.38 120.07 3i96 h ARG 99 Ca -0.03 -0.40 -0.36 0.00 0.07 0.00 0.00 59.98 59.25 3i96 h ARG 99 Cb 0.46 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.40 3i96 h ARG 99 CO 0.05 1.09 -2.28 1.28 -1.07 0.00 0.00 179.97 179.04 3i96 n LEU 100 N -4.14 1.27 -0.14 3.04 4.77 -0.22 -4.60 117.00 116.99 3i96 n LEU 100 Ca 0.01 0.04 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 3i96 n LEU 100 Cb 0.43 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3i96 n LEU 100 CO 0.46 0.65 0.45 0.18 -1.33 0.00 0.00 177.39 177.79 3i96 n LEU 101 N -3.01 1.86 -2.78 2.23 4.77 -0.85 -5.02 117.00 114.20 3i96 n LEU 101 Ca -0.34 -1.64 -0.20 0.00 -0.03 0.00 0.00 56.01 53.79 3i96 n LEU 101 Cb 1.08 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 42.17 3i96 n LEU 101 CO 0.38 0.46 0.02 -3.20 -1.33 0.00 0.00 177.39 173.72 3i96 n ASN 102 N -0.11 -5.73 -4.77 -1.43 5.15 -0.68 -4.94 115.26 102.75 3i96 n ASN 102 Ca 0.02 -0.28 -0.38 0.00 -0.60 0.00 0.00 54.58 53.35 3i96 n ASN 102 Cb 0.21 -4.54 -0.03 0.00 -0.53 0.00 0.00 39.78 34.90 3i96 n ASN 102 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3i96 s TYR 103 N -3.13 3.12 0.14 1.20 2.02 -0.88 -4.96 117.35 114.85 3i96 s TYR 103 Ca 0.30 1.59 -0.30 0.00 -0.37 0.00 0.00 57.07 58.28 3i96 s TYR 103 Cb -0.13 -3.30 -0.07 0.00 -0.40 0.00 0.00 41.96 38.06 3i96 s TYR 103 CO 0.37 -1.09 1.15 0.99 -1.57 0.00 0.00 175.55 175.40 3i96 s THR 104 N -1.51 3.87 0.13 -0.71 2.01 -0.40 -4.46 115.64 114.58 3i96 s THR 104 Ca 0.58 1.50 0.08 0.00 0.31 0.00 0.00 61.69 64.16 3i96 s THR 104 Cb -0.27 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3i96 s THR 104 CO 0.34 0.21 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.59 3i96 s LEU 105 N 0.15 2.92 0.44 4.42 1.43 -1.26 -0.83 118.68 125.94 3i96 s LEU 105 Ca 0.53 -0.49 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 3i96 s LEU 105 Cb -0.30 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.24 3i96 s LEU 105 CO 0.33 0.16 0.60 0.00 0.23 0.00 0.00 176.35 177.67 3i96 s GLU 107 N -4.40 3.99 -0.16 0.00 0.41 -1.26 -4.98 118.70 112.30 3i96 s GLU 107 Ca 0.56 1.40 -0.29 0.00 -0.41 0.00 0.00 54.97 56.23 3i96 s GLU 107 Cb -0.10 -2.29 -0.02 0.00 -1.78 0.00 0.00 34.13 29.95 3i96 s GLU 107 CO 0.34 -0.28 1.28 -1.64 -0.49 0.00 0.00 175.26 174.47 3i96 s MET 108 N -2.91 4.23 0.31 1.61 -1.94 -1.26 -4.41 119.30 114.91 3i96 s MET 108 Ca 0.63 1.69 0.10 0.00 -1.71 0.00 0.00 55.69 56.40 3i96 s MET 108 Cb -0.18 -3.78 -0.05 0.00 2.01 0.00 0.00 34.83 32.83 3i96 s MET 108 CO 0.22 -0.72 -0.06 0.95 -0.01 0.00 0.00 175.02 175.41 3i96 s THR 109 N 3.53 2.75 -0.09 2.05 -4.23 -0.79 -5.04 115.64 113.82 3i96 s THR 109 Ca 0.56 -2.10 -0.13 0.00 -1.18 0.00 0.00 61.69 58.83 3i96 s THR 109 Cb -0.22 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 70.99 3i96 s THR 109 CO 0.15 -0.30 0.33 -1.59 -0.54 0.00 0.00 174.62 172.67 3i96 s LYS 110 N -3.64 0.48 0.00 3.99 -2.85 -1.26 -0.97 119.74 115.49 3i96 s LYS 110 Ca 0.32 0.26 0.11 0.00 -1.00 0.00 0.00 55.97 55.66 3i96 s LYS 110 Cb -0.03 0.23 0.08 0.00 -2.06 0.00 0.00 37.83 36.05 3i96 s LYS 110 CO 0.18 -0.09 0.84 0.43 0.10 0.00 0.00 175.35 176.81