#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u43 s ARG 2 N 0.00 1.16 0.45 0.03 0.52 0.55 -4.94 118.95 116.71 1u43 s ARG 2 Ca 0.00 -1.22 0.08 0.00 -0.52 0.00 0.00 55.73 54.07 1u43 s ARG 2 Cb 0.00 -1.36 0.02 0.00 0.52 0.00 0.00 34.95 34.13 1u43 s ARG 2 CO 0.00 0.31 0.57 -1.50 0.02 0.00 0.00 175.30 174.69 1u43 s ILE 3 N -1.41 2.75 -0.23 1.52 2.07 -1.26 -0.47 121.20 124.18 1u43 s ILE 3 Ca 0.09 -1.08 -0.27 0.00 -1.41 0.00 0.00 60.65 57.98 1u43 s ILE 3 Cb -0.09 -2.83 0.11 0.00 0.13 0.00 0.00 42.46 39.78 1u43 s ILE 3 CO 0.05 0.00 0.96 -0.83 -1.91 0.00 0.00 174.94 173.21 1u43 s GLY 4 N -4.36 -0.26 -0.01 1.50 0.00 -0.50 -3.30 107.32 100.39 1u43 s GLY 4 Ca 0.54 2.32 0.04 0.00 0.00 0.00 0.00 44.72 47.63 1u43 s GLY 4 CO 0.33 1.53 -0.14 -1.58 0.00 0.00 0.00 173.10 173.24 1u43 s HIS 5 N -0.24 1.26 0.21 1.90 2.46 -1.26 -1.72 115.29 117.90 1u43 s HIS 5 Ca 0.00 -0.25 0.02 0.00 0.47 0.00 0.00 55.06 55.31 1u43 s HIS 5 Cb -0.03 -0.80 -0.05 0.00 -0.13 0.00 0.00 32.58 31.56 1u43 s HIS 5 CO -0.02 -0.02 0.02 0.20 -2.47 0.00 0.00 174.74 172.45 1u43 s GLY 6 N -0.40 1.46 -0.29 1.59 0.00 -0.09 -3.94 107.32 105.65 1u43 s GLY 6 Ca 0.05 -1.72 -0.18 0.00 0.00 0.00 0.00 44.72 42.87 1u43 s GLY 6 CO -0.00 -1.59 1.03 -0.12 0.00 0.00 0.00 173.10 172.41 1u43 s PHE 7 N -3.59 -0.49 0.08 1.90 5.36 -1.26 -2.47 117.98 117.51 1u43 s PHE 7 Ca 0.29 1.03 -0.04 0.00 -0.96 0.00 0.00 56.93 57.24 1u43 s PHE 7 Cb 0.06 0.34 -0.02 0.00 -0.34 0.00 0.00 43.02 43.05 1u43 s PHE 7 CO 0.08 -0.24 0.08 0.34 -1.46 0.00 0.00 175.22 174.02 1u43 s ASP 8 N 1.01 0.31 -0.00 6.13 3.68 -0.45 -4.80 116.67 122.54 1u43 s ASP 8 Ca -0.05 -0.88 -0.10 0.00 2.13 0.00 0.00 52.55 53.65 1u43 s ASP 8 Cb -0.04 0.28 0.01 0.00 -1.45 0.00 0.00 42.92 41.72 1u43 s ASP 8 CO -0.13 -0.68 0.20 -0.69 0.13 0.00 0.00 175.17 174.00 1u43 s VAL 9 N -3.91 0.07 -0.13 1.11 1.01 -1.26 -1.01 120.40 116.28 1u43 s VAL 9 Ca 0.08 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1u43 s VAL 9 Cb 0.06 -0.50 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1u43 s VAL 9 CO -0.09 -0.34 0.34 -1.00 0.00 0.00 0.00 175.10 174.01 1u43 s HIS 10 N -1.39 -0.42 0.25 5.22 3.76 -0.60 -5.00 115.29 117.11 1u43 s HIS 10 Ca -0.14 0.98 -0.29 0.00 -0.15 0.00 0.00 55.06 55.46 1u43 s HIS 10 Cb -0.07 0.15 -0.09 0.00 1.11 0.00 0.00 32.58 33.68 1u43 s HIS 10 CO 0.02 -0.22 0.93 0.00 -0.85 0.00 0.00 174.74 174.62 1u43 s ALA 11 N 0.60 3.32 0.62 -1.40 0.00 -1.26 -1.82 121.76 121.82 1u43 s ALA 11 Ca -0.03 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 1u43 s ALA 11 Cb -0.05 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 1u43 s ALA 11 CO -0.04 0.21 1.14 -0.06 0.00 0.00 0.00 175.76 177.01 1u43 s PHE 12 N -1.27 2.56 -0.30 0.00 0.08 -0.99 -0.97 117.98 117.10 1u43 s PHE 12 Ca 0.42 1.55 -0.23 0.00 0.12 0.00 0.00 56.93 58.80 1u43 s PHE 12 Cb -0.24 -3.27 0.20 0.00 -0.57 0.00 0.00 43.02 39.14 1u43 s PHE 12 CO 0.30 -1.80 1.43 0.20 -0.10 0.00 0.00 175.22 175.26 1u43 s GLY 13 N -2.16 0.47 0.00 4.36 0.00 0.18 -4.65 107.32 105.52 1u43 s GLY 13 Ca 0.71 3.68 0.00 0.00 0.00 0.00 0.00 44.72 49.10 1u43 s GLY 13 CO 0.36 2.15 0.00 0.61 0.00 0.00 0.00 173.10 176.22 1u43 n GLY 14 N 1.88 -0.90 3.87 0.20 0.00 -1.26 -2.71 105.19 106.27 1u43 n GLY 14 Ca -0.12 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.43 1u43 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u43 s GLU 15 N 0.00 3.68 0.00 1.61 0.41 -1.26 -1.40 118.70 121.74 1u43 s GLU 15 Ca 0.00 0.74 0.00 0.00 -0.41 0.00 0.00 54.97 55.30 1u43 s GLU 15 Cb 0.00 -2.13 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 1u43 s GLU 15 CO 0.00 -0.45 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 1u43 n GLY 16 N -2.38 -1.18 3.96 -1.39 0.00 0.21 -2.24 105.19 102.16 1u43 n GLY 16 Ca 0.06 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.14 1u43 n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u43 n PRO 17 N -1.00 -0.81 -4.23 1.61 -0.04 -1.26 -4.81 135.00 124.46 1u43 n PRO 17 Ca 0.00 -2.40 -0.25 0.00 -0.04 0.00 0.00 63.50 60.81 1u43 n PRO 17 Cb 0.00 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 1u43 n PRO 17 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u43 s ILE 18 N -3.62 2.30 -0.12 0.52 -4.36 0.65 -4.66 121.20 111.91 1u43 s ILE 18 Ca 0.73 -1.77 0.02 0.00 -0.26 0.00 0.00 60.65 59.36 1u43 s ILE 18 Cb -0.03 -2.98 0.02 0.00 1.25 0.00 0.00 42.46 40.72 1u43 s ILE 18 CO 0.50 -0.02 -0.15 -0.63 0.24 0.00 0.00 174.94 174.87 1u43 s ILE 19 N -2.61 1.54 -0.03 8.37 -1.09 -1.26 0.07 121.20 126.20 1u43 s ILE 19 Ca 0.39 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1u43 s ILE 19 Cb 0.04 -1.41 0.02 0.00 -1.58 0.00 0.00 42.46 39.53 1u43 s ILE 19 CO 0.21 0.45 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.73 1u43 s ILE 20 N 1.05 0.25 -0.97 2.92 -1.09 -0.83 -4.11 121.20 118.42 1u43 s ILE 20 Ca -0.05 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.38 1u43 s ILE 20 Cb -0.15 -0.30 0.00 0.00 -1.58 0.00 0.00 42.46 40.43 1u43 s ILE 20 CO -0.03 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1u43 n GLY 21 N 3.88 -0.13 1.42 6.18 0.00 -1.26 -0.42 105.19 114.86 1u43 n GLY 21 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1u43 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u43 n GLY 22 N -0.63 2.92 3.71 -0.02 0.00 -1.26 -4.32 105.19 105.60 1u43 n GLY 22 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1u43 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u43 s VAL 23 N -2.28 5.08 -0.43 1.61 1.01 0.45 -5.01 120.40 120.83 1u43 s VAL 23 Ca 0.00 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.01 1u43 s VAL 23 Cb 0.00 -3.98 0.01 0.00 0.00 0.00 0.00 36.38 32.41 1u43 s VAL 23 CO 0.00 0.26 1.35 -0.60 0.00 0.00 0.00 175.10 176.11 1u43 s ARG 24 N 0.83 3.61 -0.18 2.72 3.52 -1.26 -1.97 118.95 126.21 1u43 s ARG 24 Ca 0.34 0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 56.75 1u43 s ARG 24 Cb -0.17 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.19 1u43 s ARG 24 CO 0.16 -1.53 -0.00 0.42 -0.81 0.00 0.00 175.30 173.54 1u43 s ILE 25 N 5.22 4.07 0.26 4.11 1.01 0.11 -4.93 121.20 131.05 1u43 s ILE 25 Ca 0.58 -0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.65 1u43 s ILE 25 Cb -0.12 -2.82 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 1u43 s ILE 25 CO 0.32 0.45 1.18 -2.16 0.00 0.00 0.00 174.94 174.74 1u43 s PRO 26 N 0.68 4.53 0.04 2.79 0.04 -1.26 -0.26 135.00 141.56 1u43 s PRO 26 Ca -0.00 1.93 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1u43 s PRO 26 Cb -0.14 -3.18 0.08 0.00 0.04 0.00 0.00 34.50 31.30 1u43 s PRO 26 CO 0.02 0.02 0.71 -0.47 0.04 0.00 0.00 177.00 177.32 1u43 s TYR 27 N -0.81 -0.53 0.03 0.56 5.04 -1.26 -4.86 117.35 115.52 1u43 s TYR 27 Ca 0.48 0.57 -0.15 0.00 -2.44 0.00 0.00 57.07 55.53 1u43 s TYR 27 Cb -0.34 0.50 -0.07 0.00 0.35 0.00 0.00 41.96 42.40 1u43 s TYR 27 CO 0.42 -0.68 1.23 0.93 -1.34 0.00 0.00 175.55 176.11 1u43 h GLU 28 N 2.34 -0.44 -7.01 4.97 5.08 -1.95 -3.16 114.58 114.42 1u43 h GLU 28 Ca -0.29 0.03 -0.48 0.00 -1.00 0.00 0.00 59.36 57.62 1u43 h GLU 28 Cb 1.24 0.10 0.04 0.00 0.50 0.00 0.00 28.75 30.63 1u43 h GLU 28 CO 0.36 -0.29 0.13 -1.59 -1.00 0.00 0.00 179.01 176.62 1u43 s LYS 29 N -4.17 3.24 0.00 2.33 -2.85 -1.26 -0.62 119.74 116.41 1u43 s LYS 29 Ca -0.07 0.07 0.00 0.00 -1.00 0.00 0.00 55.97 54.97 1u43 s LYS 29 Cb 0.01 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.45 1u43 s LYS 29 CO 0.24 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1u43 n GLY 30 N -2.40 4.53 3.21 0.59 0.00 -0.49 -3.57 105.19 107.05 1u43 n GLY 30 Ca 0.02 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 1u43 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u43 s LEU 31 N 0.00 2.09 -0.16 0.99 1.43 -1.21 0.52 118.68 122.34 1u43 s LEU 31 Ca 0.00 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 1u43 s LEU 31 Cb 0.00 -0.97 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1u43 s LEU 31 CO 0.00 0.20 0.42 -0.76 0.23 0.00 0.00 176.35 176.44 1u43 s LEU 32 N -0.74 4.22 -0.14 1.79 1.43 -0.14 -4.73 118.68 120.37 1u43 s LEU 32 Ca 0.07 0.65 -0.31 0.00 -1.03 0.00 0.00 54.13 53.52 1u43 s LEU 32 Cb -0.08 -2.58 0.13 0.00 0.03 0.00 0.00 46.19 43.69 1u43 s LEU 32 CO 0.00 -0.02 1.06 0.00 0.23 0.00 0.00 176.35 177.62 1u43 s ALA 33 N 0.91 -1.96 0.11 4.21 0.00 -1.26 -4.45 121.76 119.31 1u43 s ALA 33 Ca 0.22 1.48 -0.15 0.00 0.00 0.00 0.00 51.96 53.51 1u43 s ALA 33 Cb -0.15 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1u43 s ALA 33 CO 0.08 -0.47 1.50 1.25 0.00 0.00 0.00 175.76 178.12 1u43 h HIS 34 N 2.21 0.78 -1.98 0.00 2.76 -1.93 -3.44 115.15 113.55 1u43 h HIS 34 Ca -0.16 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 57.83 1u43 h HIS 34 Cb 1.19 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1u43 h HIS 34 CO 0.27 0.87 0.00 -1.13 -1.30 0.00 0.00 177.93 176.64 1u43 n SER 35 N -4.38 0.00 0.00 3.26 3.41 -1.21 0.11 113.62 114.81 1u43 n SER 35 Ca -0.02 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1u43 n SER 35 Cb 0.37 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.89 1u43 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u43 n ASP 36 N 0.00 0.00 -2.73 4.04 3.85 -0.43 -4.17 116.55 117.11 1u43 n ASP 36 Ca 0.00 -0.11 -0.21 0.00 -0.71 0.00 0.00 54.79 53.75 1u43 n ASP 36 Cb 0.00 -0.25 0.02 0.00 -1.35 0.00 0.00 41.12 39.54 1u43 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u43 n GLY 37 N 0.59 -0.49 3.55 6.12 0.00 -1.26 -4.68 105.19 109.02 1u43 n GLY 37 Ca 0.11 0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1u43 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u43 s ASP 38 N -2.48 5.67 0.08 1.61 -1.08 -1.26 -4.85 116.67 114.38 1u43 s ASP 38 Ca 0.19 -0.05 -0.24 0.00 -0.52 0.00 0.00 52.55 51.93 1u43 s ASP 38 Cb -0.08 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.68 1u43 s ASP 38 CO 0.23 -2.14 1.71 0.58 0.52 0.00 0.00 175.17 176.08 1u43 h VAL 39 N 6.52 0.96 -0.73 1.11 2.07 -1.91 -1.56 116.25 122.71 1u43 h VAL 39 Ca -0.25 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.39 1u43 h VAL 39 Cb 1.11 0.98 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 1u43 h VAL 39 CO 1.25 0.01 0.10 0.00 0.02 0.00 0.00 177.57 178.95 1u43 h ALA 40 N 0.85 0.86 -0.10 1.67 0.00 -1.88 0.38 119.26 121.04 1u43 h ALA 40 Ca -0.01 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1u43 h ALA 40 Cb 0.08 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1u43 h ALA 40 CO 0.01 -0.38 -0.49 -0.07 0.00 0.00 0.00 179.25 178.32 1u43 h LEU 41 N 0.19 0.60 -0.41 0.00 3.38 -1.91 -1.82 115.31 115.33 1u43 h LEU 41 Ca 0.41 -0.65 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1u43 h LEU 41 Cb 0.71 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1u43 h LEU 41 CO -0.57 1.15 0.08 0.45 0.09 0.00 0.00 178.44 179.64 1u43 h HIS 42 N 0.09 0.13 -0.34 1.13 3.86 -0.44 0.37 115.15 119.94 1u43 h HIS 42 Ca -0.03 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1u43 h HIS 42 Cb 1.14 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.56 1u43 h HIS 42 CO 0.12 0.01 0.02 0.00 0.86 0.00 0.00 177.93 178.94 1u43 h ALA 43 N 1.31 0.33 -0.41 2.45 0.00 -0.91 -0.69 119.26 121.35 1u43 h ALA 43 Ca 0.20 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.22 1u43 h ALA 43 Cb 0.24 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1u43 h ALA 43 CO -0.26 -0.38 0.21 1.25 0.00 0.00 0.00 179.25 180.07 1u43 h LEU 44 N 0.13 0.32 -0.23 0.00 5.85 -0.25 -2.43 115.31 118.70 1u43 h LEU 44 Ca 0.17 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.95 1u43 h LEU 44 Cb 0.21 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1u43 h LEU 44 CO -0.26 0.23 -0.08 0.74 -0.34 0.00 0.00 178.44 178.73 1u43 h THR 45 N 0.43 0.71 -0.26 1.05 2.02 0.95 0.29 112.91 118.10 1u43 h THR 45 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 1u43 h THR 45 Cb 0.06 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1u43 h THR 45 CO -0.11 0.00 0.17 0.44 0.37 0.00 0.00 175.52 176.39 1u43 h ASP 46 N -0.04 0.30 -0.97 4.18 3.45 -0.98 0.23 116.42 122.60 1u43 h ASP 46 Ca 0.12 -0.02 0.08 0.00 0.43 0.00 0.00 57.03 57.64 1u43 h ASP 46 Cb 0.22 -0.08 -0.07 0.00 -0.56 0.00 0.00 39.33 38.85 1u43 h ASP 46 CO -0.26 0.23 0.63 0.00 -1.57 0.00 0.00 179.24 178.27 1u43 h ALA 47 N 1.09 1.48 -0.16 3.45 0.00 -0.94 0.76 119.26 124.93 1u43 h ALA 47 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1u43 h ALA 47 Cb -0.03 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1u43 h ALA 47 CO -0.02 0.35 -0.04 -0.07 0.00 0.00 0.00 179.25 179.47 1u43 h LEU 48 N 1.08 0.32 -1.04 0.00 3.38 -0.16 -2.05 115.31 116.84 1u43 h LEU 48 Ca 0.43 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1u43 h LEU 48 Cb 0.27 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1u43 h LEU 48 CO -0.19 0.62 -0.14 -0.07 0.09 0.00 0.00 178.44 178.75 1u43 h LEU 49 N 0.01 0.51 -0.42 1.67 3.38 0.33 -2.27 115.31 118.53 1u43 h LEU 49 Ca 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1u43 h LEU 49 Cb 0.48 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1u43 h LEU 49 CO 0.02 0.68 0.21 1.23 0.09 0.00 0.00 178.44 180.67 1u43 h GLY 50 N 0.95 0.65 1.05 0.83 0.00 0.63 0.82 103.07 108.00 1u43 h GLY 50 Ca 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1u43 h GLY 50 CO 0.03 0.30 0.37 0.00 0.00 0.00 0.00 176.54 177.24 1u43 h ALA 51 N 1.06 1.09 0.00 3.60 0.00 -1.09 -0.98 119.26 122.94 1u43 h ALA 51 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u43 h ALA 51 Cb 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1u43 h ALA 51 CO -0.02 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1u43 n ALA 52 N -2.43 1.74 -2.43 0.00 0.00 -0.80 -4.79 120.51 111.80 1u43 n ALA 52 Ca 0.08 0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.46 1u43 n ALA 52 Cb 0.16 -1.38 0.01 0.00 0.00 0.00 0.00 19.45 18.24 1u43 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u43 n ALA 53 N -1.74 -0.41 -0.21 0.00 0.00 0.09 -4.91 120.51 113.33 1u43 n ALA 53 Ca 0.03 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1u43 n ALA 53 Cb 0.24 -1.82 0.29 0.00 0.00 0.00 0.00 19.45 18.15 1u43 n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u43 n LEU 54 N -1.88 3.77 0.00 0.00 4.77 -0.09 -5.02 117.00 118.55 1u43 n LEU 54 Ca -0.09 -1.88 0.00 0.00 -0.03 0.00 0.00 56.01 54.00 1u43 n LEU 54 Cb 0.58 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1u43 n LEU 54 CO 0.20 0.91 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1u43 n GLY 55 N 1.53 1.36 3.45 -0.72 0.00 -1.25 -4.94 105.19 104.62 1u43 n GLY 55 Ca 0.22 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1u43 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1u43 s ASP 56 N -4.00 0.18 0.54 1.61 -4.77 -1.26 -3.79 116.67 105.18 1u43 s ASP 56 Ca 0.00 -1.18 0.23 0.00 -3.30 0.00 0.00 52.55 48.30 1u43 s ASP 56 Cb 0.00 0.54 1.44 0.00 -1.09 0.00 0.00 42.92 43.81 1u43 s ASP 56 CO 0.00 -1.08 2.10 -0.29 0.70 0.00 0.00 175.17 176.60 1u43 h ILE 57 N 2.34 0.76 -0.17 2.11 2.10 -1.91 -2.11 117.51 120.63 1u43 h ILE 57 Ca -0.29 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.50 1u43 h ILE 57 Cb 1.25 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.85 1u43 h ILE 57 CO 0.41 0.00 -0.50 1.23 -1.08 0.00 0.00 178.15 178.22 1u43 h GLY 58 N 0.00 0.50 2.00 8.18 0.00 -1.96 0.24 103.07 112.03 1u43 h GLY 58 Ca 0.10 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1u43 h GLY 58 CO -0.00 0.49 -0.42 1.70 0.00 0.00 0.00 176.54 178.31 1u43 h LYS 59 N 0.36 0.00 0.03 4.80 1.63 -1.76 -3.36 116.57 118.27 1u43 h LYS 59 Ca 0.02 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.47 1u43 h LYS 59 Cb 1.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.58 1u43 h LYS 59 CO 0.09 0.42 -2.12 1.28 -3.45 0.00 0.00 179.45 175.67 1u43 n LEU 60 N -3.54 1.49 -3.28 5.20 4.32 -1.02 -4.80 117.00 115.37 1u43 n LEU 60 Ca -0.00 0.14 -0.25 0.00 -0.02 0.00 0.00 56.01 55.88 1u43 n LEU 60 Cb 0.54 -0.26 -0.08 0.00 -1.62 0.00 0.00 43.42 42.00 1u43 n LEU 60 CO 0.38 0.64 -0.25 0.49 -1.22 0.00 0.00 177.39 177.42 1u43 n PHE 61 N -3.11 0.07 -1.38 -1.77 3.72 0.80 -5.11 117.46 110.68 1u43 n PHE 61 Ca -0.31 -3.60 -0.47 0.00 -0.05 0.00 0.00 57.45 53.02 1u43 n PHE 61 Cb 1.07 -0.26 -0.03 0.00 -0.94 0.00 0.00 39.48 39.32 1u43 n PHE 61 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1u43 n PRO 62 N 1.65 0.00 -0.23 -1.08 -0.02 -1.26 -4.80 135.00 129.27 1u43 n PRO 62 Ca 0.24 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1u43 n PRO 62 Cb 0.50 -0.99 0.03 0.00 -0.02 0.00 0.00 33.50 33.03 1u43 n PRO 62 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1u43 h ASP 63 N 0.96 1.05 -0.22 2.55 5.19 -1.96 -3.10 116.42 120.89 1u43 h ASP 63 Ca -0.28 -0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 55.85 1u43 h ASP 63 Cb 1.42 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1u43 h ASP 63 CO 0.56 1.06 0.13 0.71 -3.12 0.00 0.00 179.24 178.59 1u43 h THR 64 N 1.00 1.10 -2.05 0.35 1.35 -1.99 -3.42 112.91 109.24 1u43 h THR 64 Ca 0.19 -0.24 -0.58 0.00 -0.55 0.00 0.00 66.41 65.23 1u43 h THR 64 Cb 0.49 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1u43 h THR 64 CO 0.02 0.09 1.43 -0.67 -0.25 0.00 0.00 175.52 176.14 1u43 n ASP 65 N -4.89 3.45 0.04 5.36 -0.08 -1.17 -4.84 116.55 114.41 1u43 n ASP 65 Ca -0.03 0.37 0.19 0.00 -1.51 0.00 0.00 54.79 53.82 1u43 n ASP 65 Cb 0.06 -1.54 0.70 0.00 2.34 0.00 0.00 41.12 42.68 1u43 n ASP 65 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1u43 h PRO 66 N 13.96 0.00 0.00 -0.67 0.13 -1.86 -2.17 132.00 141.39 1u43 h PRO 66 Ca -0.43 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1u43 h PRO 66 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1u43 h PRO 66 CO 0.96 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.71 1u43 h ALA 67 N 1.74 1.97 -0.09 -0.56 0.00 -1.93 0.24 119.26 120.62 1u43 h ALA 67 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1u43 h ALA 67 Cb 0.92 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1u43 h ALA 67 CO -0.00 0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.45 1u43 n PHE 68 N -4.51 0.17 -2.77 0.00 0.99 -0.82 -4.64 117.46 105.89 1u43 n PHE 68 Ca -0.03 -0.07 -0.41 0.00 -0.00 0.00 0.00 57.45 56.94 1u43 n PHE 68 Cb 0.10 -0.04 -0.05 0.00 -1.00 0.00 0.00 39.48 38.50 1u43 n PHE 68 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1u43 s LYS 69 N -1.70 4.68 0.00 -1.08 2.20 0.07 -3.15 119.74 120.75 1u43 s LYS 69 Ca 0.07 1.40 0.00 0.00 -0.36 0.00 0.00 55.97 57.08 1u43 s LYS 69 Cb 0.04 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1u43 s LYS 69 CO 0.04 0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.67 1u43 n GLY 70 N 2.23 0.00 3.64 5.54 0.00 0.30 -4.87 105.19 112.04 1u43 n GLY 70 Ca 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.55 1u43 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u43 n ALA 71 N 0.98 0.40 -1.88 4.61 0.00 -1.19 -4.09 120.51 119.35 1u43 n ALA 71 Ca 0.00 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 1u43 n ALA 71 Cb 0.32 -2.25 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 1u43 n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u43 s ASP 72 N 1.03 5.40 0.58 0.00 -1.08 -1.26 -1.32 116.67 120.02 1u43 s ASP 72 Ca 0.82 1.08 0.29 0.00 -0.52 0.00 0.00 52.55 54.22 1u43 s ASP 72 Cb -0.80 -2.52 1.48 0.00 -1.46 0.00 0.00 42.92 39.63 1u43 s ASP 72 CO 0.43 -2.14 1.92 0.28 0.52 0.00 0.00 175.17 176.18 1u43 h SER 73 N 14.96 0.00 0.09 -0.34 0.02 -1.95 0.26 113.55 126.59 1u43 h SER 73 Ca -0.31 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.60 1u43 h SER 73 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1u43 h SER 73 CO 1.10 0.00 -0.15 0.03 -1.14 0.00 0.00 176.83 176.66 1u43 h ARG 74 N 0.00 0.14 0.50 3.45 3.08 -1.98 0.22 114.38 119.79 1u43 h ARG 74 Ca 0.23 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 1u43 h ARG 74 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1u43 h ARG 74 CO -0.00 0.30 -0.24 0.93 -1.07 0.00 0.00 179.97 179.89 1u43 h GLU 75 N 0.13 -0.65 -0.85 0.04 5.08 -0.87 0.46 114.58 117.92 1u43 h GLU 75 Ca 0.03 0.04 0.21 0.00 -1.00 0.00 0.00 59.36 58.64 1u43 h GLU 75 Cb 0.36 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 29.63 1u43 h GLU 75 CO 0.02 -0.35 0.30 -0.07 -1.00 0.00 0.00 179.01 177.91 1u43 h LEU 76 N -0.92 0.16 0.42 1.33 3.38 -1.30 0.92 115.31 119.30 1u43 h LEU 76 Ca -0.07 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1u43 h LEU 76 Cb 0.60 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1u43 h LEU 76 CO 0.11 -0.05 -0.20 0.25 0.09 0.00 0.00 178.44 178.64 1u43 h LEU 77 N 0.32 -0.47 -1.34 1.67 5.85 -0.30 -0.06 115.31 120.97 1u43 h LEU 77 Ca 0.52 0.01 0.11 0.00 0.84 0.00 0.00 57.88 59.36 1u43 h LEU 77 Cb 0.98 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1u43 h LEU 77 CO -0.56 -0.34 0.53 0.03 -0.34 0.00 0.00 178.44 177.77 1u43 h ARG 78 N -0.56 0.70 0.13 1.25 3.08 0.14 0.43 114.38 119.54 1u43 h ARG 78 Ca -0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 1u43 h ARG 78 Cb 0.43 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1u43 h ARG 78 CO 0.09 0.46 -0.06 1.49 -1.07 0.00 0.00 179.97 180.88 1u43 h GLU 79 N 0.72 -0.17 -0.66 0.04 4.57 -0.75 0.19 114.58 118.51 1u43 h GLU 79 Ca 0.38 0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.69 1u43 h GLU 79 Cb 0.51 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.09 1u43 h GLU 79 CO -0.15 0.29 0.44 0.00 -1.18 0.00 0.00 179.01 178.41 1u43 h ALA 80 N -0.05 2.04 -0.39 2.92 0.00 -0.55 0.32 119.26 123.55 1u43 h ALA 80 Ca -0.02 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1u43 h ALA 80 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1u43 h ALA 80 CO 0.03 -0.20 -0.35 2.35 0.00 0.00 0.00 179.25 181.08 1u43 h TRP 81 N 0.42 1.10 0.71 0.00 -0.00 0.07 -1.76 115.95 116.48 1u43 h TRP 81 Ca 0.31 -0.32 -0.03 0.00 -0.00 0.00 0.00 58.89 58.85 1u43 h TRP 81 Cb 0.65 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 1u43 h TRP 81 CO -0.00 1.14 -0.46 -0.09 -0.00 0.00 0.00 178.44 179.03 1u43 h ARG 82 N 0.74 -1.06 -0.97 2.65 2.43 0.27 -0.66 114.38 117.77 1u43 h ARG 82 Ca 0.07 0.07 0.21 0.00 -0.81 0.00 0.00 59.98 59.52 1u43 h ARG 82 Cb 0.94 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.65 1u43 h ARG 82 CO 0.09 -0.71 0.62 0.00 -1.51 0.00 0.00 179.97 178.46 1u43 h ARG 83 N -1.10 0.50 -0.35 0.20 3.08 -1.04 0.18 114.38 115.84 1u43 h ARG 83 Ca -0.09 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1u43 h ARG 83 Cb 0.89 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1u43 h ARG 83 CO 0.08 0.33 0.09 0.82 -1.07 0.00 0.00 179.97 180.22 1u43 h ILE 84 N 0.52 1.22 -0.33 2.04 2.04 -0.81 -1.57 117.51 120.61 1u43 h ILE 84 Ca 0.53 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1u43 h ILE 84 Cb 1.16 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1u43 h ILE 84 CO -0.26 0.25 0.00 1.56 0.00 0.00 0.00 178.15 179.70 1u43 h GLN 85 N 0.41 0.50 -0.78 2.37 4.20 0.83 -1.46 115.11 121.18 1u43 h GLN 85 Ca 0.11 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1u43 h GLN 85 Cb 0.28 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1u43 h GLN 85 CO -0.00 0.53 0.31 0.00 -0.67 0.00 0.00 178.83 179.00 1u43 h ALA 86 N 1.52 1.01 0.00 3.87 0.00 -0.69 0.30 119.26 125.28 1u43 h ALA 86 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1u43 h ALA 86 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1u43 h ALA 86 CO 0.01 0.64 0.00 1.17 0.00 0.00 0.00 179.25 181.07 1u43 n LYS 87 N -4.29 0.34 -1.29 0.00 4.81 -0.57 -4.77 118.16 112.39 1u43 n LYS 87 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1u43 n LYS 87 Cb 0.19 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.94 1u43 n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u43 n GLY 88 N -0.25 0.49 3.86 3.14 0.00 0.10 -5.07 105.19 107.47 1u43 n GLY 88 Ca 0.05 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 1u43 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u43 s TYR 89 N -2.00 3.06 -0.00 1.61 1.51 -1.11 -4.97 117.35 115.45 1u43 s TYR 89 Ca 0.00 -0.19 -0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1u43 s TYR 89 Cb 0.00 -1.61 -0.00 0.00 -0.11 0.00 0.00 41.96 40.23 1u43 s TYR 89 CO 0.00 0.34 0.03 0.95 -1.11 0.00 0.00 175.55 175.77 1u43 s THR 90 N -2.19 0.05 0.04 -0.71 -4.23 -0.36 -4.27 115.64 103.97 1u43 s THR 90 Ca 0.37 -0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 60.18 1u43 s THR 90 Cb -0.07 -0.19 -0.10 0.00 1.34 0.00 0.00 72.50 73.49 1u43 s THR 90 CO 0.26 -0.22 1.95 -0.11 -0.54 0.00 0.00 174.62 175.96 1u43 n LEU 91 N 2.36 4.11 -0.06 4.79 7.94 -1.26 0.29 117.00 135.16 1u43 n LEU 91 Ca -0.18 0.92 -0.03 0.00 -1.11 0.00 0.00 56.01 55.62 1u43 n LEU 91 Cb 0.58 -1.52 -0.01 0.00 0.53 0.00 0.00 43.42 42.99 1u43 n LEU 91 CO 0.23 0.18 -0.10 1.23 -1.11 0.00 0.00 177.39 177.82 1u43 h GLY 92 N 10.15 0.00 0.00 -3.96 0.00 -0.08 -3.46 103.07 105.73 1u43 h GLY 92 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1u43 h GLY 92 CO 0.94 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.64 1u43 n ASN 93 N -4.71 0.00 -4.15 0.19 2.04 -0.85 -4.92 115.26 102.86 1u43 n ASN 93 Ca -0.04 0.00 -0.16 0.00 -0.44 0.00 0.00 54.58 53.94 1u43 n ASN 93 Cb 0.12 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.26 1u43 n ASN 93 CO 0.00 0.00 0.00 0.68 -0.44 0.00 0.00 177.26 177.50 1u43 s VAL 94 N -2.00 0.96 -0.04 3.53 -7.23 -0.31 -0.41 120.40 114.90 1u43 s VAL 94 Ca 0.00 -1.34 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1u43 s VAL 94 Cb 0.00 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 35.93 1u43 s VAL 94 CO 0.00 -0.33 0.00 -0.62 -0.31 0.00 0.00 175.10 173.84 1u43 s ASP 95 N -1.87 0.90 -0.07 4.85 3.68 -0.16 -1.91 116.67 122.10 1u43 s ASP 95 Ca -0.02 -0.04 0.05 0.00 2.13 0.00 0.00 52.55 54.67 1u43 s ASP 95 Cb -0.08 -0.30 -0.01 0.00 -1.45 0.00 0.00 42.92 41.07 1u43 s ASP 95 CO 0.01 -0.14 -0.21 -0.69 0.13 0.00 0.00 175.17 174.27 1u43 s VAL 96 N 1.43 2.39 -0.17 1.11 1.01 0.36 -0.25 120.40 126.27 1u43 s VAL 96 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.01 1u43 s VAL 96 Cb -0.13 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1u43 s VAL 96 CO -0.03 0.57 -0.18 -0.89 0.00 0.00 0.00 175.10 174.57 1u43 s THR 97 N -0.18 1.89 -0.25 3.92 2.01 0.65 -1.21 115.64 122.47 1u43 s THR 97 Ca -0.02 -0.83 -0.14 0.00 0.31 0.00 0.00 61.69 61.00 1u43 s THR 97 Cb -0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1u43 s THR 97 CO 0.03 0.51 0.33 -0.63 -0.69 0.00 0.00 174.62 174.17 1u43 s ILE 98 N 1.33 5.23 -0.56 1.82 1.01 -0.24 -0.81 121.20 128.98 1u43 s ILE 98 Ca 0.04 0.51 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 1u43 s ILE 98 Cb -0.13 -3.66 0.14 0.00 0.01 0.00 0.00 42.46 38.83 1u43 s ILE 98 CO -0.11 0.23 0.43 -0.63 0.00 0.00 0.00 174.94 174.85 1u43 s ILE 99 N 1.64 4.30 -0.03 2.92 1.01 -0.60 0.19 121.20 130.64 1u43 s ILE 99 Ca 0.14 -2.16 -0.07 0.00 0.00 0.00 0.00 60.65 58.56 1u43 s ILE 99 Cb -0.15 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1u43 s ILE 99 CO 0.08 -0.84 0.17 0.00 0.00 0.00 0.00 174.94 174.35 1u43 s ALA 100 N 0.85 -0.41 0.05 9.38 0.00 0.93 -1.96 121.76 130.60 1u43 s ALA 100 Ca 0.10 0.21 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1u43 s ALA 100 Cb -0.22 -0.09 -0.24 0.00 0.00 0.00 0.00 23.12 22.56 1u43 s ALA 100 CO -0.03 -0.15 1.01 0.37 0.00 0.00 0.00 175.76 176.97 1u43 h GLN 101 N 5.05 0.11 -1.94 0.00 5.75 -1.81 -3.21 115.11 119.06 1u43 h GLN 101 Ca -0.28 -0.19 0.09 0.00 -0.15 0.00 0.00 58.65 58.12 1u43 h GLN 101 Cb 1.19 0.07 -0.19 0.00 1.07 0.00 0.00 27.48 29.63 1u43 h GLN 101 CO 0.40 0.97 0.51 0.00 -2.65 0.00 0.00 178.83 178.06 1u43 s ALA 102 N -2.65 -1.87 0.98 3.38 0.00 -1.26 -4.81 121.76 115.52 1u43 s ALA 102 Ca -0.04 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 1u43 s ALA 102 Cb 0.08 -0.10 0.19 0.00 0.00 0.00 0.00 23.12 23.29 1u43 s ALA 102 CO 0.84 -0.51 1.23 -1.25 0.00 0.00 0.00 175.76 176.07 1u43 s PRO 103 N -2.15 0.53 -0.58 0.00 0.04 -1.26 -4.98 135.00 126.60 1u43 s PRO 103 Ca 0.01 -0.14 -0.26 0.00 0.04 0.00 0.00 61.00 60.65 1u43 s PRO 103 Cb -0.01 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.69 1u43 s PRO 103 CO -0.03 -2.53 2.01 0.21 0.04 0.00 0.00 177.00 176.70 1u43 s LYS 104 N -5.64 2.47 0.25 4.56 2.47 -1.26 -4.84 119.74 117.75 1u43 s LYS 104 Ca 0.70 0.82 -0.03 0.00 -1.56 0.00 0.00 55.97 55.91 1u43 s LYS 104 Cb -0.08 -4.45 0.31 0.00 -1.46 0.00 0.00 37.83 32.16 1u43 s LYS 104 CO 0.53 -2.89 1.75 0.52 0.16 0.00 0.00 175.35 175.42 1u43 h MET 105 N 16.23 0.82 -0.58 4.03 2.86 -1.97 -3.37 114.93 132.95 1u43 h MET 105 Ca -0.25 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.22 1u43 h MET 105 Cb 1.19 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.69 1u43 h MET 105 CO 1.20 0.82 -0.34 -0.11 1.06 0.00 0.00 176.91 179.54 1u43 n LEU 106 N -4.21 -0.62 0.31 1.22 7.94 -1.26 -0.79 117.00 119.59 1u43 n LEU 106 Ca 0.03 1.10 0.19 0.00 -1.11 0.00 0.00 56.01 56.22 1u43 n LEU 106 Cb 0.30 -0.17 1.04 0.00 0.53 0.00 0.00 43.42 45.12 1u43 n LEU 106 CO 0.42 -0.88 1.13 1.55 -1.11 0.00 0.00 177.39 178.50 1u43 h PRO 107 N 0.00 0.00 0.00 1.96 0.13 -2.02 -2.64 132.00 129.43 1u43 h PRO 107 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1u43 h PRO 107 Cb 0.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.37 1u43 h PRO 107 CO -0.55 0.01 -0.86 0.45 -0.23 0.00 0.00 178.00 176.83 1u43 h HIS 108 N 0.00 0.00 -0.78 1.56 3.86 -1.22 -3.40 115.15 115.17 1u43 h HIS 108 Ca -0.00 0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.39 1u43 h HIS 108 Cb 0.06 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.40 1u43 h HIS 108 CO 0.00 0.00 0.08 0.82 0.86 0.00 0.00 177.93 179.69 1u43 h ILE 109 N 0.00 0.36 -0.59 2.45 2.04 -1.29 -1.75 117.51 118.74 1u43 h ILE 109 Ca 0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1u43 h ILE 109 Cb 0.90 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1u43 h ILE 109 CO 0.00 0.03 0.38 -0.65 0.00 0.00 0.00 178.15 177.91 1u43 h PRO 110 N 0.15 0.75 -0.57 2.37 0.11 -1.80 0.12 132.00 133.13 1u43 h PRO 110 Ca 0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.50 1u43 h PRO 110 Cb 0.80 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 1u43 h PRO 110 CO -0.64 0.50 0.31 0.37 -0.21 0.00 0.00 178.00 178.33 1u43 h GLN 111 N 0.77 0.78 -0.09 1.05 5.75 -1.64 -0.03 115.11 121.70 1u43 h GLN 111 Ca 0.22 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1u43 h GLN 111 Cb -0.06 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.32 1u43 h GLN 111 CO -0.06 0.57 0.05 0.52 -2.65 0.00 0.00 178.83 177.26 1u43 h MET 112 N 0.79 0.14 -0.36 1.69 2.86 -0.30 -0.51 114.93 119.23 1u43 h MET 112 Ca 0.20 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.86 1u43 h MET 112 Cb 0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1u43 h MET 112 CO -0.03 0.21 0.24 0.00 1.06 0.00 0.00 176.91 178.39 1u43 h ARG 113 N 0.03 0.33 -0.15 1.72 3.08 -0.17 0.23 114.38 119.45 1u43 h ARG 113 Ca 0.03 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1u43 h ARG 113 Cb 0.12 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1u43 h ARG 113 CO -0.00 0.22 -0.05 0.28 -1.07 0.00 0.00 179.97 179.34 1u43 h VAL 114 N 0.34 1.30 -0.48 2.04 2.07 -0.14 -1.04 116.25 120.34 1u43 h VAL 114 Ca 0.15 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1u43 h VAL 114 Cb 0.18 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1u43 h VAL 114 CO -0.03 0.31 0.18 -0.26 0.02 0.00 0.00 177.57 177.79 1u43 h PHE 115 N -0.01 0.75 -0.30 1.57 0.05 0.11 -1.79 116.94 117.31 1u43 h PHE 115 Ca 0.04 -0.06 -0.11 0.00 3.82 0.00 0.00 57.97 61.65 1u43 h PHE 115 Cb 0.50 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 1u43 h PHE 115 CO 0.06 0.64 -0.25 0.82 -0.18 0.00 0.00 178.31 179.39 1u43 h ILE 116 N 0.64 1.30 0.00 -0.55 2.04 -0.59 -1.57 117.51 118.77 1u43 h ILE 116 Ca 0.16 -1.41 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 1u43 h ILE 116 Cb 0.22 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1u43 h ILE 116 CO -0.01 0.45 -0.33 0.00 0.00 0.00 0.00 178.15 178.26 1u43 h ALA 117 N 0.72 1.42 0.46 1.87 0.00 -1.15 -0.75 119.26 121.84 1u43 h ALA 117 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1u43 h ALA 117 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1u43 h ALA 117 CO 0.07 0.42 -0.22 0.93 0.00 0.00 0.00 179.25 180.44 1u43 h GLU 118 N 0.00 -0.60 -0.89 0.00 5.08 -1.17 0.27 114.58 117.28 1u43 h GLU 118 Ca -0.00 0.04 0.24 0.00 -1.00 0.00 0.00 59.36 58.64 1u43 h GLU 118 Cb 0.60 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.85 1u43 h GLU 118 CO 0.04 -0.40 0.26 -0.44 -1.00 0.00 0.00 179.01 177.48 1u43 h ASP 119 N -0.94 0.05 1.71 1.42 3.45 -1.09 0.52 116.42 121.55 1u43 h ASP 119 Ca -0.06 0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.56 1u43 h ASP 119 Cb 0.48 0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 1u43 h ASP 119 CO 0.10 -0.15 -0.29 -0.07 -1.57 0.00 0.00 179.24 177.26 1u43 h LEU 120 N 0.23 0.00 -1.24 1.55 3.38 -1.18 -3.44 115.31 114.60 1u43 h LEU 120 Ca 0.56 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.39 1u43 h LEU 120 Cb 1.14 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.95 1u43 h LEU 120 CO -0.65 0.16 -0.26 0.61 0.09 0.00 0.00 178.44 178.40 1u43 n GLY 121 N 1.15 0.33 0.00 0.83 0.00 0.18 -4.95 105.19 102.73 1u43 n GLY 121 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1u43 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u43 s HIS 123 N -0.47 3.31 0.50 0.00 3.76 -1.26 -4.66 115.29 116.47 1u43 s HIS 123 Ca 0.00 0.03 0.26 0.00 -0.15 0.00 0.00 55.06 55.20 1u43 s HIS 123 Cb 0.00 -1.57 1.33 0.00 1.11 0.00 0.00 32.58 33.45 1u43 s HIS 123 CO 0.00 0.51 1.90 0.52 -0.85 0.00 0.00 174.74 176.82 1u43 h MET 124 N 2.09 0.13 0.00 1.40 0.00 -1.89 0.28 114.93 116.94 1u43 h MET 124 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1u43 h MET 124 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 31.60 32.77 1u43 h MET 124 CO 0.65 0.09 0.00 -3.47 0.00 0.00 0.00 176.91 174.18 1u43 n ASP 125 N -4.37 0.00 -0.46 1.22 4.64 -1.26 -0.06 116.55 116.25 1u43 n ASP 125 Ca 0.17 0.18 0.05 0.00 -1.38 0.00 0.00 54.79 53.81 1u43 n ASP 125 Cb 0.79 -0.25 0.06 0.00 -1.04 0.00 0.00 41.12 40.68 1u43 n ASP 125 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 1u43 n ASP 126 N -1.25 2.04 -3.97 1.67 10.43 0.98 -4.89 116.55 121.56 1u43 n ASP 126 Ca 0.02 -1.53 -0.29 0.00 2.57 0.00 0.00 54.79 55.56 1u43 n ASP 126 Cb 0.03 -0.03 -0.16 0.00 1.84 0.00 0.00 41.12 42.80 1u43 n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1u43 s VAL 127 N -0.92 1.42 -0.06 2.53 1.01 0.91 -1.16 120.40 124.11 1u43 s VAL 127 Ca 0.14 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.45 1u43 s VAL 127 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1u43 s VAL 127 CO 0.14 0.27 -0.17 0.21 0.00 0.00 0.00 175.10 175.55 1u43 s ASN 128 N 1.52 2.29 0.10 3.32 2.47 -0.80 -4.88 114.94 118.96 1u43 s ASN 128 Ca 0.02 -0.39 0.07 0.00 0.42 0.00 0.00 52.86 52.98 1u43 s ASN 128 Cb -0.14 -0.88 -0.03 0.00 -1.45 0.00 0.00 41.25 38.74 1u43 s ASN 128 CO -0.09 0.12 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.53 1u43 s VAL 129 N 0.31 1.54 0.21 -5.21 1.01 -1.26 -0.49 120.40 116.51 1u43 s VAL 129 Ca -0.11 -1.52 -0.13 0.00 0.00 0.00 0.00 61.98 60.22 1u43 s VAL 129 Cb -0.15 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1u43 s VAL 129 CO 0.04 -0.14 0.43 -1.59 0.00 0.00 0.00 175.10 173.84 1u43 s LYS 130 N -1.97 1.38 0.07 2.72 -2.85 -0.35 -4.93 119.74 113.80 1u43 s LYS 130 Ca 0.05 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 53.91 1u43 s LYS 130 Cb -0.09 0.46 -0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1u43 s LYS 130 CO 0.04 -0.56 -0.04 0.00 0.10 0.00 0.00 175.35 174.89 1u43 s ALA 131 N -3.96 0.66 -0.09 0.59 0.00 -1.26 -1.07 121.76 116.63 1u43 s ALA 131 Ca 0.17 -1.21 -0.30 0.00 0.00 0.00 0.00 51.96 50.62 1u43 s ALA 131 Cb 0.00 0.21 0.09 0.00 0.00 0.00 0.00 23.12 23.43 1u43 s ALA 131 CO 0.03 -0.29 0.81 -0.08 0.00 0.00 0.00 175.76 176.22 1u43 s THR 132 N -3.56 0.00 0.40 0.00 -1.32 0.13 -4.89 115.64 106.40 1u43 s THR 132 Ca 0.07 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.62 1u43 s THR 132 Cb 0.05 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 70.04 1u43 s THR 132 CO -0.07 0.00 0.48 0.42 -2.21 0.00 0.00 174.62 173.23 1u43 s THR 133 N -1.26 3.04 -0.28 5.08 -4.23 -1.21 -0.05 115.64 116.72 1u43 s THR 133 Ca -0.07 -1.14 0.11 0.00 -1.18 0.00 0.00 61.69 59.42 1u43 s THR 133 Cb -0.00 -3.06 0.65 0.00 1.34 0.00 0.00 72.50 71.43 1u43 s THR 133 CO 0.06 -0.03 1.66 0.35 -0.54 0.00 0.00 174.62 176.11 1u43 n THR 134 N -1.69 2.72 -3.47 3.99 -2.24 -1.26 -4.90 114.28 107.42 1u43 n THR 134 Ca 0.05 -1.90 -0.21 0.00 -2.27 0.00 0.00 64.05 59.72 1u43 n THR 134 Cb 0.60 -0.33 0.04 0.00 -2.10 0.00 0.00 70.33 68.54 1u43 n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u43 n GLU 135 N -0.43 -1.50 -0.28 -0.78 1.02 -1.26 -2.16 120.64 115.25 1u43 n GLU 135 Ca 0.35 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.29 1u43 n GLU 135 Cb 1.21 -4.64 0.00 0.00 -0.02 0.00 0.00 31.44 27.99 1u43 n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u43 n LYS 136 N -3.31 0.00 -3.26 3.49 4.76 -1.26 -4.91 118.16 113.68 1u43 n LYS 136 Ca -0.09 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.02 1u43 n LYS 136 Cb 0.59 -3.53 -0.06 0.00 -1.84 0.00 0.00 35.03 30.20 1u43 n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u43 s LEU 137 N 0.00 4.13 0.13 -0.35 1.43 -0.92 -3.87 118.68 119.22 1u43 s LEU 137 Ca 0.00 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1u43 s LEU 137 Cb 0.00 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.36 1u43 s LEU 137 CO 0.00 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.06 1u43 n GLY 138 N -0.17 -2.09 0.31 -3.19 0.00 -1.26 -0.81 105.19 97.98 1u43 n GLY 138 Ca 0.02 -1.40 0.05 0.00 0.00 0.00 0.00 46.02 44.69 1u43 n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1u43 h PHE 139 N -0.36 0.45 -0.02 1.61 -5.15 -1.94 1.28 116.94 112.81 1u43 h PHE 139 Ca -0.02 0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 57.75 1u43 h PHE 139 Cb 0.35 -0.15 -0.00 0.00 0.22 0.00 0.00 35.95 36.37 1u43 h PHE 139 CO -0.05 0.27 -0.01 1.79 -2.00 0.00 0.00 178.31 178.32 1u43 h THR 140 N 0.48 1.30 0.00 0.88 1.35 -1.76 0.68 112.91 115.84 1u43 h THR 140 Ca 0.14 -0.92 -0.03 0.00 -0.55 0.00 0.00 66.41 65.06 1u43 h THR 140 Cb 0.00 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1u43 h THR 140 CO -0.03 0.24 -0.13 1.23 -0.25 0.00 0.00 175.52 176.58 1u43 h GLY 141 N -0.33 0.00 1.58 5.82 0.00 0.14 -0.21 103.07 110.06 1u43 h GLY 141 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1u43 h GLY 141 CO 0.00 0.00 -0.21 0.54 0.00 0.00 0.00 176.54 176.87 1u43 n ARG 142 N -3.91 0.01 -0.76 4.80 1.74 0.41 -4.29 116.66 114.67 1u43 n ARG 142 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1u43 n ARG 142 Cb 0.22 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1u43 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u43 n GLY 143 N 1.50 0.56 0.15 -0.13 0.00 -0.09 -4.93 105.19 102.24 1u43 n GLY 143 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.52 1u43 n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u43 h GLU 144 N 0.52 0.00 0.00 1.61 5.08 0.16 -3.45 114.58 118.50 1u43 h GLU 144 Ca 0.00 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 1u43 h GLU 144 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1u43 h GLU 144 CO 0.00 0.53 0.73 0.41 -1.00 0.00 0.00 179.01 179.69 1u43 n GLY 145 N 0.65 0.30 3.37 -3.84 0.00 -1.12 -2.34 105.19 102.21 1u43 n GLY 145 Ca 0.00 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.71 1u43 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u43 s ILE 146 N -2.04 2.29 0.30 -0.61 1.01 -0.76 -4.16 121.20 117.23 1u43 s ILE 146 Ca 0.24 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.59 1u43 s ILE 146 Cb -0.01 -1.92 -0.06 0.00 0.01 0.00 0.00 42.46 40.49 1u43 s ILE 146 CO -0.00 0.34 -0.08 0.00 0.00 0.00 0.00 174.94 175.19 1u43 s ALA 147 N -0.85 2.59 -0.28 9.38 0.00 -0.83 -1.56 121.76 130.21 1u43 s ALA 147 Ca 0.13 -1.97 -0.20 0.00 0.00 0.00 0.00 51.96 49.92 1u43 s ALA 147 Cb -0.10 0.08 0.10 0.00 0.00 0.00 0.00 23.12 23.20 1u43 s ALA 147 CO 0.03 0.00 0.82 0.00 0.00 0.00 0.00 175.76 176.62 1u43 s GLU 149 N 1.05 2.17 -0.15 0.00 2.02 0.01 -1.34 118.70 122.46 1u43 s GLU 149 Ca -0.05 -1.63 -0.29 0.00 0.02 0.00 0.00 54.97 53.02 1u43 s GLU 149 Cb -0.05 -2.03 0.08 0.00 0.10 0.00 0.00 34.13 32.24 1u43 s GLU 149 CO -0.12 0.19 0.78 0.00 0.02 0.00 0.00 175.26 176.13 1u43 s ALA 150 N -2.45 -1.82 0.17 5.21 0.00 -1.03 -0.25 121.76 121.58 1u43 s ALA 150 Ca 0.34 1.62 0.06 0.00 0.00 0.00 0.00 51.96 53.98 1u43 s ALA 150 Cb -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1u43 s ALA 150 CO 0.20 -0.34 -0.13 0.14 0.00 0.00 0.00 175.76 175.63 1u43 s VAL 151 N -0.59 1.47 0.01 0.00 -7.23 0.65 -0.91 120.40 113.81 1u43 s VAL 151 Ca -0.05 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 57.88 1u43 s VAL 151 Cb -0.02 -1.88 0.03 0.00 0.56 0.00 0.00 36.38 35.07 1u43 s VAL 151 CO 0.04 -0.61 0.38 0.00 -0.31 0.00 0.00 175.10 174.61 1u43 s ALA 152 N -2.93 -0.94 -0.11 1.32 0.00 -0.70 -0.99 121.76 117.41 1u43 s ALA 152 Ca 0.18 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1u43 s ALA 152 Cb -0.00 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1u43 s ALA 152 CO 0.04 -0.37 -0.16 -1.17 0.00 0.00 0.00 175.76 174.10 1u43 s LEU 153 N -1.70 1.77 0.34 0.00 0.20 0.46 -1.42 118.68 118.34 1u43 s LEU 153 Ca -0.09 -0.44 0.08 0.00 0.69 0.00 0.00 54.13 54.38 1u43 s LEU 153 Cb -0.02 -1.11 -0.05 0.00 -0.43 0.00 0.00 46.19 44.58 1u43 s LEU 153 CO 0.01 0.03 0.09 -0.76 -0.29 0.00 0.00 176.35 175.43 1u43 s LEU 154 N 0.90 3.14 0.00 -0.68 1.43 0.39 0.65 118.68 124.50 1u43 s LEU 154 Ca -0.08 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1u43 s LEU 154 Cb -0.15 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1u43 s LEU 154 CO -0.00 -0.29 0.29 -0.38 0.23 0.00 0.00 176.35 176.19