#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u3l s ARG 2 N 0.00 0.95 0.02 0.03 0.52 0.14 -4.95 118.95 115.66 1u3l s ARG 2 Ca 0.00 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1u3l s ARG 2 Cb 0.00 -0.92 -0.04 0.00 0.52 0.00 0.00 34.95 34.51 1u3l s ARG 2 CO 0.00 0.25 0.05 -1.50 0.02 0.00 0.00 175.30 174.12 1u3l s ILE 3 N -0.35 4.45 0.05 1.52 2.07 -1.26 0.44 121.20 128.13 1u3l s ILE 3 Ca 0.04 -0.59 -0.02 0.00 -1.41 0.00 0.00 60.65 58.67 1u3l s ILE 3 Cb -0.05 -3.05 -0.03 0.00 0.13 0.00 0.00 42.46 39.46 1u3l s ILE 3 CO -0.00 0.29 0.01 -0.83 -1.91 0.00 0.00 174.94 172.49 1u3l s GLY 4 N -1.87 0.39 -0.05 1.50 0.00 -0.30 -3.80 107.32 103.18 1u3l s GLY 4 Ca 0.23 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.87 1u3l s GLY 4 CO 0.15 -1.17 0.12 -1.58 0.00 0.00 0.00 173.10 170.62 1u3l s HIS 5 N -3.65 -0.13 0.08 1.90 5.04 -1.24 -2.19 115.29 115.10 1u3l s HIS 5 Ca 0.04 0.35 0.04 0.00 -1.54 0.00 0.00 55.06 53.95 1u3l s HIS 5 Cb 0.06 -0.01 -0.03 0.00 0.04 0.00 0.00 32.58 32.63 1u3l s HIS 5 CO -0.09 -0.10 -0.11 0.20 -2.34 0.00 0.00 174.74 172.31 1u3l s GLY 6 N 0.48 0.78 -0.12 1.59 0.00 -0.29 -4.06 107.32 105.70 1u3l s GLY 6 Ca -0.03 -1.05 -0.10 0.00 0.00 0.00 0.00 44.72 43.53 1u3l s GLY 6 CO -0.02 -1.11 0.32 -0.12 0.00 0.00 0.00 173.10 172.17 1u3l s PHE 7 N -1.91 -0.38 0.08 1.90 5.36 -1.26 -1.57 117.98 120.21 1u3l s PHE 7 Ca 0.00 0.89 -0.10 0.00 -0.96 0.00 0.00 56.93 56.76 1u3l s PHE 7 Cb -0.06 0.13 0.01 0.00 -0.34 0.00 0.00 43.02 42.75 1u3l s PHE 7 CO 0.01 -0.20 0.23 0.34 -1.46 0.00 0.00 175.22 174.14 1u3l s ASP 8 N 0.48 0.04 -0.06 6.13 3.68 -0.50 -4.76 116.67 121.69 1u3l s ASP 8 Ca -0.03 -0.53 -0.08 0.00 2.13 0.00 0.00 52.55 54.04 1u3l s ASP 8 Cb -0.04 0.35 0.02 0.00 -1.45 0.00 0.00 42.92 41.80 1u3l s ASP 8 CO -0.03 -0.72 0.21 -0.69 0.13 0.00 0.00 175.17 174.08 1u3l s VAL 9 N -3.58 0.03 -0.05 1.11 1.01 -1.26 -1.10 120.40 116.55 1u3l s VAL 9 Ca 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 1u3l s VAL 9 Cb 0.03 -0.38 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1u3l s VAL 9 CO -0.10 -0.12 0.13 -1.00 0.00 0.00 0.00 175.10 174.02 1u3l s HIS 10 N -0.41 -0.15 0.26 5.22 3.76 -0.75 -5.02 115.29 118.20 1u3l s HIS 10 Ca -0.05 0.37 -0.17 0.00 -0.15 0.00 0.00 55.06 55.06 1u3l s HIS 10 Cb -0.03 0.03 -0.08 0.00 1.11 0.00 0.00 32.58 33.60 1u3l s HIS 10 CO 0.01 -0.08 0.72 0.00 -0.85 0.00 0.00 174.74 174.53 1u3l s ALA 11 N 0.24 3.39 0.47 -1.40 0.00 -1.26 -1.41 121.76 121.78 1u3l s ALA 11 Ca -0.01 0.10 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 1u3l s ALA 11 Cb -0.03 -2.78 -0.08 0.00 0.00 0.00 0.00 23.12 20.24 1u3l s ALA 11 CO -0.01 0.34 1.10 -0.06 0.00 0.00 0.00 175.76 177.13 1u3l s PHE 12 N -1.70 2.94 -0.30 0.00 0.08 -0.62 0.31 117.98 118.69 1u3l s PHE 12 Ca 0.47 1.57 -0.21 0.00 0.12 0.00 0.00 56.93 58.88 1u3l s PHE 12 Cb -0.14 -3.23 0.21 0.00 -0.57 0.00 0.00 43.02 39.29 1u3l s PHE 12 CO 0.20 -1.17 1.40 0.20 -0.10 0.00 0.00 175.22 175.74 1u3l s GLY 13 N -1.64 0.56 0.00 4.36 0.00 0.10 -4.64 107.32 106.06 1u3l s GLY 13 Ca 0.65 3.78 0.00 0.00 0.00 0.00 0.00 44.72 49.15 1u3l s GLY 13 CO 0.28 2.36 0.00 0.61 0.00 0.00 0.00 173.10 176.35 1u3l n GLY 14 N 2.24 -1.26 3.93 0.20 0.00 -1.26 -3.31 105.19 105.72 1u3l n GLY 14 Ca -0.13 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1u3l n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u3l s GLU 15 N 0.00 3.51 1.23 1.61 0.41 -1.26 -2.92 118.70 121.28 1u3l s GLU 15 Ca 0.00 -0.38 -0.20 0.00 -0.41 0.00 0.00 54.97 53.97 1u3l s GLU 15 Cb 0.00 -2.83 0.30 0.00 -1.78 0.00 0.00 34.13 29.82 1u3l s GLU 15 CO 0.00 0.39 1.11 0.20 -0.49 0.00 0.00 175.26 176.47 1u3l s GLY 16 N -3.30 1.59 0.63 -1.39 0.00 -1.17 -2.63 107.32 101.06 1u3l s GLY 16 Ca 0.38 -1.05 -0.07 0.00 0.00 0.00 0.00 44.72 43.98 1u3l s GLY 16 CO 0.30 -0.12 0.86 -1.55 0.00 0.00 0.00 173.10 172.58 1u3l n PRO 17 N -4.85 -0.50 -4.38 2.90 -0.04 -1.26 -4.82 135.00 122.05 1u3l n PRO 17 Ca 0.15 -1.68 -0.26 0.00 -0.04 0.00 0.00 63.50 61.67 1u3l n PRO 17 Cb 0.60 -0.77 -0.10 0.00 -0.04 0.00 0.00 33.50 33.19 1u3l n PRO 17 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1u3l s ILE 18 N -2.69 2.74 -0.20 0.52 -4.36 -0.29 -4.58 121.20 112.34 1u3l s ILE 18 Ca 0.51 -1.98 -0.02 0.00 -0.26 0.00 0.00 60.65 58.90 1u3l s ILE 18 Cb -0.02 -2.37 -0.00 0.00 1.25 0.00 0.00 42.46 41.32 1u3l s ILE 18 CO 0.35 -0.20 -0.09 -0.63 0.24 0.00 0.00 174.94 174.61 1u3l s ILE 19 N -1.91 3.01 -0.06 8.37 -1.09 -1.26 -0.17 121.20 128.09 1u3l s ILE 19 Ca 0.25 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 58.04 1u3l s ILE 19 Cb -0.07 -2.33 0.03 0.00 -1.58 0.00 0.00 42.46 38.50 1u3l s ILE 19 CO 0.13 0.47 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.67 1u3l s ILE 20 N 1.27 0.40 -1.62 2.92 -1.09 -0.27 -4.05 121.20 118.76 1u3l s ILE 20 Ca 0.03 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.50 1u3l s ILE 20 Cb -0.14 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.23 1u3l s ILE 20 CO -0.04 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 1u3l n GLY 21 N 4.70 1.15 1.73 6.18 0.00 -1.26 -1.24 105.19 116.45 1u3l n GLY 21 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1u3l n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u3l n GLY 22 N -1.01 1.50 3.73 -0.02 0.00 -1.26 -4.52 105.19 103.61 1u3l n GLY 22 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1u3l n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u3l s VAL 23 N -2.71 5.24 -0.60 1.61 1.01 -0.37 -5.03 120.40 119.54 1u3l s VAL 23 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 1u3l s VAL 23 Cb 0.00 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1u3l s VAL 23 CO 0.00 0.37 1.13 -0.60 0.00 0.00 0.00 175.10 176.00 1u3l s ARG 24 N 0.48 3.39 -0.26 2.72 3.52 -1.26 -1.12 118.95 126.42 1u3l s ARG 24 Ca 0.21 -0.02 -0.09 0.00 -0.13 0.00 0.00 55.73 55.70 1u3l s ARG 24 Cb -0.14 -4.06 -0.04 0.00 -1.56 0.00 0.00 34.95 29.15 1u3l s ARG 24 CO 0.07 -1.72 0.11 0.42 -0.81 0.00 0.00 175.30 173.37 1u3l s ILE 25 N 4.78 4.64 0.23 4.11 1.01 0.76 -4.93 121.20 131.81 1u3l s ILE 25 Ca 0.37 -0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.65 1u3l s ILE 25 Cb -0.09 -3.19 -0.11 0.00 0.01 0.00 0.00 42.46 39.08 1u3l s ILE 25 CO 0.21 0.31 1.66 -2.16 0.00 0.00 0.00 174.94 174.96 1u3l s PRO 26 N 1.63 4.14 -0.01 2.79 0.04 -1.26 -1.13 135.00 141.20 1u3l s PRO 26 Ca 0.06 2.56 -0.25 0.00 0.04 0.00 0.00 61.00 63.41 1u3l s PRO 26 Cb -0.15 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.37 1u3l s PRO 26 CO 0.06 -0.69 0.56 -0.47 0.04 0.00 0.00 177.00 176.50 1u3l s TYR 27 N 0.80 -0.50 0.38 0.56 5.04 -1.26 -4.89 117.35 117.48 1u3l s TYR 27 Ca 0.70 0.75 0.05 0.00 -2.44 0.00 0.00 57.07 56.13 1u3l s TYR 27 Cb -0.48 0.34 0.76 0.00 0.35 0.00 0.00 41.96 42.93 1u3l s TYR 27 CO 0.37 -0.59 2.02 1.05 -1.34 0.00 0.00 175.55 177.06 1u3l h GLU 28 N 3.04 0.68 -5.94 4.97 4.11 -1.96 -3.09 114.58 116.39 1u3l h GLU 28 Ca -0.29 -0.04 -0.54 0.00 0.07 0.00 0.00 59.36 58.56 1u3l h GLU 28 Cb 1.18 -0.15 -0.15 0.00 0.50 0.00 0.00 28.75 30.13 1u3l h GLU 28 CO 0.40 0.45 -0.75 -1.59 0.07 0.00 0.00 179.01 177.58 1u3l s LYS 29 N -5.61 1.50 0.06 1.06 -2.85 -1.26 -3.34 119.74 109.30 1u3l s LYS 29 Ca -0.09 -1.66 0.01 0.00 -1.00 0.00 0.00 55.97 53.23 1u3l s LYS 29 Cb 0.18 -1.48 0.01 0.00 -2.06 0.00 0.00 37.83 34.48 1u3l s LYS 29 CO 0.75 0.27 0.06 0.41 0.10 0.00 0.00 175.35 176.94 1u3l n GLY 30 N -0.42 2.59 3.43 0.59 0.00 -1.08 -3.86 105.19 106.45 1u3l n GLY 30 Ca -0.07 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 1u3l n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u3l s LEU 31 N 0.00 2.70 -0.11 0.99 1.43 -1.24 0.03 118.68 122.47 1u3l s LEU 31 Ca 0.05 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.62 1u3l s LEU 31 Cb -0.00 -1.56 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1u3l s LEU 31 CO 0.03 0.28 0.92 -0.76 0.23 0.00 0.00 176.35 177.05 1u3l s LEU 32 N -0.35 4.24 -0.08 1.79 1.43 0.15 -4.77 118.68 121.08 1u3l s LEU 32 Ca 0.03 1.39 -0.31 0.00 -1.03 0.00 0.00 54.13 54.22 1u3l s LEU 32 Cb -0.12 -3.41 0.12 0.00 0.03 0.00 0.00 46.19 42.80 1u3l s LEU 32 CO 0.02 -0.39 1.00 0.00 0.23 0.00 0.00 176.35 177.22 1u3l s ALA 33 N 1.87 -1.91 0.10 4.21 0.00 -1.26 -4.31 121.76 120.45 1u3l s ALA 33 Ca 0.44 1.27 -0.18 0.00 0.00 0.00 0.00 51.96 53.49 1u3l s ALA 33 Cb -0.18 0.09 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 1u3l s ALA 33 CO 0.17 -0.61 1.57 1.25 0.00 0.00 0.00 175.76 178.14 1u3l h HIS 34 N 2.07 0.49 -0.24 0.00 2.76 -1.96 -3.44 115.15 114.82 1u3l h HIS 34 Ca -0.17 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1u3l h HIS 34 Cb 1.21 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1u3l h HIS 34 CO 0.27 0.57 0.00 -1.13 -1.30 0.00 0.00 177.93 176.33 1u3l n SER 35 N -4.65 0.00 -0.42 3.26 3.41 -1.24 0.15 113.62 114.12 1u3l n SER 35 Ca -0.03 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.72 1u3l n SER 35 Cb 0.21 0.00 0.58 0.00 -0.26 0.00 0.00 64.21 64.74 1u3l n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u3l n ASP 36 N 0.00 1.30 -1.48 4.04 3.85 -0.85 -4.28 116.55 119.14 1u3l n ASP 36 Ca 0.00 -1.42 -0.16 0.00 -0.71 0.00 0.00 54.79 52.49 1u3l n ASP 36 Cb 0.00 0.00 -0.05 0.00 -1.35 0.00 0.00 41.12 39.73 1u3l n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u3l n GLY 37 N 1.16 0.90 3.56 6.12 0.00 -1.26 -4.53 105.19 111.13 1u3l n GLY 37 Ca 0.19 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1u3l n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u3l s ASP 38 N -2.62 4.80 0.27 1.61 -1.08 -1.26 -4.79 116.67 113.60 1u3l s ASP 38 Ca 0.00 -0.27 -0.01 0.00 -0.52 0.00 0.00 52.55 51.74 1u3l s ASP 38 Cb 0.00 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.36 1u3l s ASP 38 CO 0.00 -3.00 1.86 0.58 0.52 0.00 0.00 175.17 175.13 1u3l h VAL 39 N 7.35 1.02 -0.70 1.11 2.07 -1.91 -1.89 116.25 123.31 1u3l h VAL 39 Ca 0.01 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1u3l h VAL 39 Cb 1.04 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1u3l h VAL 39 CO 1.16 0.20 0.18 0.00 0.02 0.00 0.00 177.57 179.13 1u3l h ALA 40 N 1.48 0.92 0.00 1.67 0.00 -1.89 -1.78 119.26 119.66 1u3l h ALA 40 Ca 0.45 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1u3l h ALA 40 Cb 0.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1u3l h ALA 40 CO -0.21 0.63 -0.61 -0.07 0.00 0.00 0.00 179.25 179.00 1u3l h LEU 41 N 1.05 0.00 -0.02 0.00 3.38 -1.89 -2.23 115.31 115.61 1u3l h LEU 41 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1u3l h LEU 41 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1u3l h LEU 41 CO 0.00 0.55 -0.02 0.45 0.09 0.00 0.00 178.44 179.50 1u3l h HIS 42 N 0.00 0.06 -1.00 1.13 3.86 -1.23 -0.14 115.15 117.83 1u3l h HIS 42 Ca -0.02 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.23 1u3l h HIS 42 Cb 1.43 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.82 1u3l h HIS 42 CO 0.00 0.56 0.65 0.00 0.86 0.00 0.00 177.93 180.00 1u3l h ALA 43 N 0.49 1.40 -0.23 2.45 0.00 -1.38 -1.24 119.26 120.74 1u3l h ALA 43 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u3l h ALA 43 Cb 0.55 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1u3l h ALA 43 CO 0.01 0.47 0.03 1.25 0.00 0.00 0.00 179.25 181.00 1u3l h LEU 44 N 1.19 0.37 -0.53 0.00 5.85 -1.28 -2.05 115.31 118.87 1u3l h LEU 44 Ca 0.42 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.96 1u3l h LEU 44 Cb 0.13 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.00 1u3l h LEU 44 CO -0.16 0.55 0.15 0.74 -0.34 0.00 0.00 178.44 179.38 1u3l h THR 45 N 0.19 0.76 -0.58 1.05 2.02 -0.30 -0.99 112.91 115.06 1u3l h THR 45 Ca 0.07 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1u3l h THR 45 Cb 0.33 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1u3l h THR 45 CO 0.01 0.06 0.15 0.44 0.37 0.00 0.00 175.52 176.55 1u3l h ASP 46 N 0.31 0.83 -0.41 4.18 3.45 -1.17 0.83 116.42 124.45 1u3l h ASP 46 Ca 0.26 -0.15 -0.03 0.00 0.43 0.00 0.00 57.03 57.55 1u3l h ASP 46 Cb 0.33 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 1u3l h ASP 46 CO -0.30 0.80 0.15 0.00 -1.57 0.00 0.00 179.24 178.31 1u3l h ALA 47 N 1.31 0.53 -0.31 3.45 0.00 -0.51 0.20 119.26 123.94 1u3l h ALA 47 Ca 0.19 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1u3l h ALA 47 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u3l h ALA 47 CO -0.00 0.15 -0.14 -0.07 0.00 0.00 0.00 179.25 179.19 1u3l h LEU 48 N 0.52 0.67 -0.90 0.00 3.38 -0.90 -1.00 115.31 117.08 1u3l h LEU 48 Ca 0.13 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1u3l h LEU 48 Cb 0.22 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1u3l h LEU 48 CO -0.01 0.92 -0.09 -0.07 0.09 0.00 0.00 178.44 179.28 1u3l h LEU 49 N 0.41 0.70 -0.18 1.67 3.38 -0.79 -2.31 115.31 118.19 1u3l h LEU 49 Ca 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1u3l h LEU 49 Cb 0.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1u3l h LEU 49 CO 0.04 0.83 0.09 1.23 0.09 0.00 0.00 178.44 180.72 1u3l h GLY 50 N 0.97 0.27 2.00 0.83 0.00 -0.36 0.70 103.07 107.48 1u3l h GLY 50 Ca 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1u3l h GLY 50 CO 0.03 0.12 -0.09 0.00 0.00 0.00 0.00 176.54 176.60 1u3l h ALA 51 N 0.97 1.62 -0.00 3.60 0.00 -1.02 -1.62 119.26 122.81 1u3l h ALA 51 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u3l h ALA 51 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1u3l h ALA 51 CO -0.01 0.12 -0.31 0.00 0.00 0.00 0.00 179.25 179.04 1u3l n ALA 52 N -2.42 3.17 -3.31 0.00 0.00 -0.88 -4.60 120.51 112.48 1u3l n ALA 52 Ca -0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 53.44 52.89 1u3l n ALA 52 Cb 0.18 -1.17 0.07 0.00 0.00 0.00 0.00 19.45 18.52 1u3l n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u3l n ALA 53 N -1.03 -1.23 0.21 0.00 0.00 -0.35 -4.91 120.51 113.19 1u3l n ALA 53 Ca 0.10 0.21 0.06 0.00 0.00 0.00 0.00 53.44 53.81 1u3l n ALA 53 Cb 0.33 -3.75 0.11 0.00 0.00 0.00 0.00 19.45 16.14 1u3l n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u3l n LEU 54 N -3.93 2.50 0.00 0.00 4.77 0.10 -5.03 117.00 115.41 1u3l n LEU 54 Ca -0.07 -1.44 0.00 0.00 -0.03 0.00 0.00 56.01 54.47 1u3l n LEU 54 Cb 0.58 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1u3l n LEU 54 CO 0.51 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1u3l n GLY 55 N 0.69 1.04 3.54 -0.72 0.00 -1.24 -4.88 105.19 103.62 1u3l n GLY 55 Ca 0.10 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 1u3l n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1u3l s ASP 56 N -4.00 -0.23 0.25 1.61 1.47 -1.26 -4.08 116.67 110.43 1u3l s ASP 56 Ca 0.00 -0.54 -0.03 0.00 1.18 0.00 0.00 52.55 53.16 1u3l s ASP 56 Cb 0.00 0.58 0.51 0.00 -0.34 0.00 0.00 42.92 43.67 1u3l s ASP 56 CO 0.00 -1.07 1.73 -0.29 0.68 0.00 0.00 175.17 176.22 1u3l h ILE 57 N 2.21 0.64 0.00 2.11 2.10 -1.92 0.08 117.51 122.72 1u3l h ILE 57 Ca -0.28 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.50 1u3l h ILE 57 Cb 1.26 0.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 1u3l h ILE 57 CO 0.37 0.08 0.00 1.23 -1.08 0.00 0.00 178.15 178.75 1u3l h GLY 58 N 0.46 0.00 1.31 8.18 0.00 -1.97 0.35 103.07 111.39 1u3l h GLY 58 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.47 1u3l h GLY 58 CO -0.42 0.00 -1.26 1.70 0.00 0.00 0.00 176.54 176.56 1u3l h LYS 59 N 0.00 0.56 0.14 4.80 3.64 -1.37 -3.29 116.57 121.05 1u3l h LYS 59 Ca 0.00 -0.78 -0.32 0.00 -1.27 0.00 0.00 60.65 58.28 1u3l h LYS 59 Cb 0.47 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1u3l h LYS 59 CO 0.00 1.35 -1.55 -0.07 -2.27 0.00 0.00 179.45 176.91 1u3l h LEU 60 N 0.24 0.47 -6.74 5.20 4.07 -1.02 -3.43 115.31 114.10 1u3l h LEU 60 Ca -0.18 -0.63 -0.60 0.00 0.08 0.00 0.00 57.88 56.54 1u3l h LEU 60 Cb 1.93 -0.15 -0.40 0.00 1.08 0.00 0.00 40.66 43.13 1u3l h LEU 60 CO 0.24 1.53 -0.80 -0.36 -1.08 0.00 0.00 178.44 177.96 1u3l s PHE 61 N -2.61 1.84 0.22 1.13 0.08 0.12 -5.11 117.98 113.65 1u3l s PHE 61 Ca -0.10 -2.48 -0.32 0.00 0.12 0.00 0.00 56.93 54.15 1u3l s PHE 61 Cb 0.06 -1.60 -0.14 0.00 -0.57 0.00 0.00 43.02 40.78 1u3l s PHE 61 CO 0.86 -0.75 1.36 -2.30 -0.10 0.00 0.00 175.22 174.29 1u3l n PRO 62 N 3.03 1.85 0.03 0.24 -0.02 -1.24 -4.48 135.00 134.43 1u3l n PRO 62 Ca 0.19 0.66 0.15 0.00 -2.02 0.00 0.00 63.50 62.48 1u3l n PRO 62 Cb 0.40 -2.29 0.62 0.00 -0.02 0.00 0.00 33.50 32.21 1u3l n PRO 62 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1u3l h ASP 63 N 4.11 0.12 -0.26 2.55 5.19 -1.95 -1.36 116.42 124.81 1u3l h ASP 63 Ca -0.45 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.81 1u3l h ASP 63 Cb 1.29 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.77 1u3l h ASP 63 CO 0.75 0.07 -0.44 0.71 -3.12 0.00 0.00 179.24 177.21 1u3l h THR 64 N 0.13 1.28 -2.54 0.35 1.35 -1.97 -3.44 112.91 108.07 1u3l h THR 64 Ca 0.20 -1.62 -0.54 0.00 -0.55 0.00 0.00 66.41 63.90 1u3l h THR 64 Cb 0.63 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1u3l h THR 64 CO -0.02 0.53 1.14 -0.62 -0.25 0.00 0.00 175.52 176.29 1u3l s ASP 65 N -6.87 6.56 0.51 5.36 -1.08 -0.51 -4.89 116.67 115.74 1u3l s ASP 65 Ca -0.10 2.31 0.18 0.00 -0.52 0.00 0.00 52.55 54.42 1u3l s ASP 65 Cb 0.11 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.29 1u3l s ASP 65 CO 0.87 -1.00 2.07 1.55 0.52 0.00 0.00 175.17 179.18 1u3l h PRO 66 N 10.02 0.09 -0.51 4.34 0.13 -1.86 -2.86 132.00 141.35 1u3l h PRO 66 Ca -0.42 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1u3l h PRO 66 Cb 1.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1u3l h PRO 66 CO 0.95 0.06 0.29 0.00 -0.23 0.00 0.00 178.00 179.07 1u3l h ALA 67 N 1.86 1.55 0.00 -0.56 0.00 -1.94 -0.99 119.26 119.17 1u3l h ALA 67 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1u3l h ALA 67 Cb 0.40 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1u3l h ALA 67 CO -0.01 0.38 0.00 1.19 0.00 0.00 0.00 179.25 180.81 1u3l n PHE 68 N -4.42 0.00 -2.83 0.00 0.99 -1.08 -4.40 117.46 105.72 1u3l n PHE 68 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.07 1u3l n PHE 68 Cb 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 38.53 1u3l n PHE 68 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1u3l s LYS 69 N -2.00 4.08 0.00 -1.08 2.36 -0.38 -2.79 119.74 119.93 1u3l s LYS 69 Ca 0.29 0.89 0.00 0.00 -2.55 0.00 0.00 55.97 54.60 1u3l s LYS 69 Cb 0.13 -3.70 0.00 0.00 -1.05 0.00 0.00 37.83 33.22 1u3l s LYS 69 CO 0.22 -0.68 0.00 0.41 1.55 0.00 0.00 175.35 176.85 1u3l n GLY 70 N 3.89 1.30 3.51 5.54 0.00 0.39 -4.93 105.19 114.90 1u3l n GLY 70 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1u3l n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3l n ALA 71 N -0.83 -1.19 -2.64 4.61 0.00 -1.12 -4.31 120.51 115.03 1u3l n ALA 71 Ca 0.00 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 1u3l n ALA 71 Cb 0.00 -1.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 1u3l n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u3l s ASP 72 N -0.74 6.92 0.67 0.00 -1.08 -1.26 -2.00 116.67 119.18 1u3l s ASP 72 Ca 0.61 1.04 0.44 0.00 -0.52 0.00 0.00 52.55 54.11 1u3l s ASP 72 Cb -0.76 -2.53 2.39 0.00 -1.46 0.00 0.00 42.92 40.56 1u3l s ASP 72 CO 0.59 -0.85 2.36 0.28 0.52 0.00 0.00 175.17 178.06 1u3l h SER 73 N 8.06 0.00 0.87 -0.34 0.02 -1.96 -0.80 113.55 119.40 1u3l h SER 73 Ca -0.21 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.61 1u3l h SER 73 Cb 1.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 1u3l h SER 73 CO 1.02 0.00 -0.64 0.03 -1.14 0.00 0.00 176.83 176.10 1u3l h ARG 74 N 0.00 0.00 -0.05 3.45 3.08 -1.97 -0.05 114.38 118.84 1u3l h ARG 74 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1u3l h ARG 74 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 1u3l h ARG 74 CO -0.00 0.64 0.00 0.93 -1.07 0.00 0.00 179.97 180.48 1u3l h GLU 75 N 0.00 0.09 -0.87 0.04 5.08 -1.55 0.44 114.58 117.81 1u3l h GLU 75 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1u3l h GLU 75 Cb 1.25 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 1u3l h GLU 75 CO 0.08 0.36 0.49 -0.07 -1.00 0.00 0.00 179.01 178.87 1u3l h LEU 76 N -0.18 1.07 -0.08 1.33 3.38 -1.45 -1.05 115.31 118.32 1u3l h LEU 76 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1u3l h LEU 76 Cb 0.31 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1u3l h LEU 76 CO 0.00 0.85 0.05 0.25 0.09 0.00 0.00 178.44 179.68 1u3l h LEU 77 N 1.21 0.10 -1.05 1.67 5.85 -0.72 -1.38 115.31 120.99 1u3l h LEU 77 Ca 0.31 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1u3l h LEU 77 Cb 0.00 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1u3l h LEU 77 CO -0.05 0.12 0.01 0.03 -0.34 0.00 0.00 178.44 178.21 1u3l h ARG 78 N 0.07 0.69 0.00 1.25 3.08 -0.52 -0.88 114.38 118.08 1u3l h ARG 78 Ca 0.03 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 1u3l h ARG 78 Cb 0.04 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1u3l h ARG 78 CO -0.01 0.70 -0.00 1.49 -1.07 0.00 0.00 179.97 181.08 1u3l h GLU 79 N 0.65 -0.00 -0.92 0.04 4.57 -1.08 0.14 114.58 117.99 1u3l h GLU 79 Ca 0.13 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.38 1u3l h GLU 79 Cb 0.39 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.92 1u3l h GLU 79 CO 0.01 0.38 0.60 0.00 -1.18 0.00 0.00 179.01 178.82 1u3l h ALA 80 N 0.61 1.49 -0.34 2.92 0.00 -1.19 -0.01 119.26 122.74 1u3l h ALA 80 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1u3l h ALA 80 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1u3l h ALA 80 CO 0.00 0.38 -0.31 2.35 0.00 0.00 0.00 179.25 181.67 1u3l h TRP 81 N 1.06 0.84 0.29 0.00 -0.00 -0.95 -0.63 115.95 116.56 1u3l h TRP 81 Ca 0.39 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.89 59.05 1u3l h TRP 81 Cb 0.17 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.14 1u3l h TRP 81 CO -0.00 0.94 -0.14 -0.09 -0.00 0.00 0.00 178.44 179.15 1u3l h ARG 82 N 0.62 -0.38 -0.66 2.65 2.43 0.81 -0.82 114.38 119.04 1u3l h ARG 82 Ca 0.07 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1u3l h ARG 82 Cb 0.83 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.43 1u3l h ARG 82 CO 0.07 -0.25 0.44 0.00 -1.51 0.00 0.00 179.97 178.72 1u3l h ARG 83 N -0.39 0.84 -0.18 0.20 3.08 -0.92 -1.40 114.38 115.62 1u3l h ARG 83 Ca -0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1u3l h ARG 83 Cb 0.30 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1u3l h ARG 83 CO 0.07 0.56 0.00 0.82 -1.07 0.00 0.00 179.97 180.35 1u3l h ILE 84 N 0.87 1.25 -0.60 2.04 2.04 -0.76 -2.37 117.51 119.98 1u3l h ILE 84 Ca 0.25 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 1u3l h ILE 84 Cb -0.06 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1u3l h ILE 84 CO -0.06 0.25 0.26 1.56 0.00 0.00 0.00 178.15 180.16 1u3l h GLN 85 N 0.07 0.85 0.00 2.37 4.20 -0.77 -1.87 115.11 119.96 1u3l h GLN 85 Ca 0.05 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1u3l h GLN 85 Cb 0.37 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1u3l h GLN 85 CO 0.01 0.68 -0.26 0.00 -0.67 0.00 0.00 178.83 178.59 1u3l h ALA 86 N 1.44 1.48 0.00 3.87 0.00 -1.10 -0.14 119.26 124.80 1u3l h ALA 86 Ca 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1u3l h ALA 86 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1u3l h ALA 86 CO -0.02 0.33 0.00 1.17 0.00 0.00 0.00 179.25 180.72 1u3l n LYS 87 N -4.10 0.82 -0.11 0.00 4.81 -0.72 -4.85 118.16 114.01 1u3l n LYS 87 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1u3l n LYS 87 Cb 0.32 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.01 1u3l n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u3l n GLY 88 N 0.56 0.78 3.92 3.14 0.00 -0.07 -5.09 105.19 108.43 1u3l n GLY 88 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 1u3l n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u3l s TYR 89 N -2.10 3.49 0.06 1.61 1.51 -1.09 -5.00 117.35 115.83 1u3l s TYR 89 Ca 0.00 0.50 0.04 0.00 -1.01 0.00 0.00 57.07 56.60 1u3l s TYR 89 Cb 0.00 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1u3l s TYR 89 CO 0.00 0.14 -0.11 0.95 -1.11 0.00 0.00 175.55 175.42 1u3l s THR 90 N -2.20 0.87 0.24 -0.71 -4.23 -1.02 -4.17 115.64 104.41 1u3l s THR 90 Ca 0.42 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.41 1u3l s THR 90 Cb -0.10 -0.88 -0.09 0.00 1.34 0.00 0.00 72.50 72.76 1u3l s THR 90 CO 0.33 -0.30 1.23 -0.22 -0.54 0.00 0.00 174.62 175.13 1u3l s LEU 91 N -1.69 4.46 -0.04 4.79 2.96 -1.26 -0.11 118.68 127.79 1u3l s LEU 91 Ca -0.05 2.38 -0.04 0.00 -0.22 0.00 0.00 54.13 56.20 1u3l s LEU 91 Cb -0.10 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1u3l s LEU 91 CO 0.01 -0.40 -0.08 0.61 -1.32 0.00 0.00 176.35 175.18 1u3l n GLY 92 N 1.75 -0.52 3.62 7.98 0.00 0.12 -4.70 105.19 113.44 1u3l n GLY 92 Ca 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1u3l n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u3l s ASN 93 N -4.38 -0.10 0.07 1.61 2.20 -0.88 -4.89 114.94 108.57 1u3l s ASN 93 Ca -0.06 0.04 0.06 0.00 -0.94 0.00 0.00 52.86 51.95 1u3l s ASN 93 Cb 0.01 0.10 -0.03 0.00 -2.00 0.00 0.00 41.25 39.33 1u3l s ASN 93 CO 0.09 -0.14 -0.16 0.68 -2.94 0.00 0.00 177.10 174.63 1u3l s VAL 94 N -1.91 1.26 -0.04 3.54 -7.23 -0.60 -0.34 120.40 115.07 1u3l s VAL 94 Ca 0.09 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1u3l s VAL 94 Cb -0.01 -1.17 0.02 0.00 0.56 0.00 0.00 36.38 35.78 1u3l s VAL 94 CO -0.04 -0.13 -0.02 -0.62 -0.31 0.00 0.00 175.10 173.98 1u3l s ASP 95 N -1.62 0.86 -0.01 4.85 3.68 -0.22 -2.14 116.67 122.07 1u3l s ASP 95 Ca 0.01 -0.08 0.07 0.00 2.13 0.00 0.00 52.55 54.68 1u3l s ASP 95 Cb -0.09 -0.36 -0.03 0.00 -1.45 0.00 0.00 42.92 40.99 1u3l s ASP 95 CO 0.02 -0.10 -0.21 -0.69 0.13 0.00 0.00 175.17 174.33 1u3l s VAL 96 N 1.15 2.52 -0.23 1.11 1.01 -0.32 -0.86 120.40 124.78 1u3l s VAL 96 Ca -0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1u3l s VAL 96 Cb -0.14 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.34 1u3l s VAL 96 CO -0.01 0.50 -0.00 -0.89 0.00 0.00 0.00 175.10 174.70 1u3l s THR 97 N -0.74 1.15 -0.16 3.92 2.01 0.39 -0.96 115.64 121.24 1u3l s THR 97 Ca 0.12 -1.05 -0.22 0.00 0.31 0.00 0.00 61.69 60.84 1u3l s THR 97 Cb -0.10 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1u3l s THR 97 CO 0.01 -0.21 0.69 -0.63 -0.69 0.00 0.00 174.62 173.79 1u3l s ILE 98 N 1.56 4.99 -0.44 1.82 1.01 0.12 -0.99 121.20 129.28 1u3l s ILE 98 Ca -0.02 1.35 -0.09 0.00 0.00 0.00 0.00 60.65 61.89 1u3l s ILE 98 Cb -0.18 -4.01 0.09 0.00 0.01 0.00 0.00 42.46 38.37 1u3l s ILE 98 CO -0.09 0.12 0.29 -0.63 0.00 0.00 0.00 174.94 174.64 1u3l s ILE 99 N 1.70 4.20 -0.17 2.92 1.01 -0.38 -0.67 121.20 129.82 1u3l s ILE 99 Ca 0.33 -1.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 1u3l s ILE 99 Cb -0.16 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1u3l s ILE 99 CO 0.12 -0.61 0.44 0.00 0.00 0.00 0.00 174.94 174.90 1u3l s ALA 100 N 1.40 -1.11 0.22 9.38 0.00 0.22 -1.82 121.76 130.05 1u3l s ALA 100 Ca 0.04 1.36 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1u3l s ALA 100 Cb -0.24 -0.80 0.21 0.00 0.00 0.00 0.00 23.12 22.29 1u3l s ALA 100 CO 0.01 -0.23 1.54 0.37 0.00 0.00 0.00 175.76 177.45 1u3l h GLN 101 N 5.93 0.29 -1.74 0.00 5.75 -1.80 -3.31 115.11 120.24 1u3l h GLN 101 Ca -0.30 -0.20 0.17 0.00 -0.15 0.00 0.00 58.65 58.17 1u3l h GLN 101 Cb 1.18 0.03 -0.19 0.00 1.07 0.00 0.00 27.48 29.57 1u3l h GLN 101 CO 0.24 0.81 0.66 0.00 -2.65 0.00 0.00 178.83 177.89 1u3l s ALA 102 N -3.78 -1.96 1.05 3.38 0.00 -1.26 -4.80 121.76 114.39 1u3l s ALA 102 Ca -0.05 1.42 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 1u3l s ALA 102 Cb 0.12 -0.16 0.23 0.00 0.00 0.00 0.00 23.12 23.30 1u3l s ALA 102 CO 0.81 -0.54 1.22 -1.25 0.00 0.00 0.00 175.76 176.00 1u3l s PRO 103 N -2.28 -0.01 -0.09 0.00 0.04 -1.26 -5.02 135.00 126.38 1u3l s PRO 103 Ca 0.06 -0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.59 1u3l s PRO 103 Cb -0.01 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1u3l s PRO 103 CO -0.05 -2.88 1.46 0.21 0.04 0.00 0.00 177.00 175.78 1u3l s LYS 104 N -5.64 4.22 0.13 4.56 2.47 -1.26 -4.89 119.74 119.32 1u3l s LYS 104 Ca 0.72 1.94 0.18 0.00 -1.56 0.00 0.00 55.97 57.24 1u3l s LYS 104 Cb -0.07 -3.84 -0.07 0.00 -1.46 0.00 0.00 37.83 32.39 1u3l s LYS 104 CO 0.54 -0.75 0.98 0.52 0.16 0.00 0.00 175.35 176.80 1u3l h MET 105 N 8.75 0.00 -0.99 4.03 2.86 -1.98 -3.41 114.93 124.19 1u3l h MET 105 Ca -0.34 0.00 0.18 0.00 -2.06 0.00 0.00 59.70 57.48 1u3l h MET 105 Cb 1.15 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.63 1u3l h MET 105 CO 0.95 0.26 -0.31 1.25 1.06 0.00 0.00 176.91 180.13 1u3l h LEU 106 N 0.00 -1.13 -1.13 1.22 5.85 -1.98 0.10 115.31 118.24 1u3l h LEU 106 Ca -0.11 0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1u3l h LEU 106 Cb 1.44 0.67 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1u3l h LEU 106 CO 0.04 -0.31 0.00 1.55 -0.34 0.00 0.00 178.44 179.38 1u3l h PRO 107 N -0.00 0.00 -0.01 5.25 0.13 -2.02 -3.08 132.00 132.27 1u3l h PRO 107 Ca 0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.55 1u3l h PRO 107 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1u3l h PRO 107 CO -1.00 0.00 -0.58 0.72 -0.23 0.00 0.00 178.00 176.91 1u3l n HIS 108 N -2.61 0.00 -0.32 1.56 8.25 0.01 -4.48 115.22 117.63 1u3l n HIS 108 Ca 0.01 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1u3l n HIS 108 Cb 0.25 -0.05 0.08 0.00 1.12 0.00 0.00 29.99 31.38 1u3l n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1u3l h ILE 109 N 1.27 1.26 -0.46 1.59 2.04 -1.42 -1.56 117.51 120.23 1u3l h ILE 109 Ca 0.00 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.24 1u3l h ILE 109 Cb 0.61 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1u3l h ILE 109 CO 0.00 0.30 0.20 -0.65 0.00 0.00 0.00 178.15 178.00 1u3l h PRO 110 N 1.21 0.39 -0.57 2.37 0.11 -1.81 0.10 132.00 133.80 1u3l h PRO 110 Ca 0.30 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.33 1u3l h PRO 110 Cb 0.06 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1u3l h PRO 110 CO -0.04 0.26 0.12 0.37 -0.21 0.00 0.00 178.00 178.50 1u3l h GLN 111 N 0.40 0.89 -0.10 1.05 5.75 -1.81 -2.05 115.11 119.23 1u3l h GLN 111 Ca 0.21 -0.19 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1u3l h GLN 111 Cb 0.16 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1u3l h GLN 111 CO -0.17 0.80 0.07 0.52 -2.65 0.00 0.00 178.83 177.39 1u3l h MET 112 N 0.85 0.14 0.00 1.69 2.86 -0.24 -1.54 114.93 118.69 1u3l h MET 112 Ca 0.18 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1u3l h MET 112 Cb 0.33 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1u3l h MET 112 CO 0.00 0.11 -0.06 0.00 1.06 0.00 0.00 176.91 178.03 1u3l h ARG 113 N 0.12 0.00 -0.14 1.72 3.08 -0.45 0.28 114.38 118.99 1u3l h ARG 113 Ca 0.04 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.98 1u3l h ARG 113 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1u3l h ARG 113 CO -0.01 0.06 -0.33 0.28 -1.07 0.00 0.00 179.97 178.90 1u3l h VAL 114 N 0.00 1.36 0.02 2.04 2.07 -0.85 -2.01 116.25 118.88 1u3l h VAL 114 Ca -0.00 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1u3l h VAL 114 Cb 0.11 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1u3l h VAL 114 CO 0.01 0.48 -0.01 -0.26 0.02 0.00 0.00 177.57 177.81 1u3l h PHE 115 N 0.09 -0.02 -0.55 1.57 0.05 -0.51 -1.97 116.94 115.60 1u3l h PHE 115 Ca -0.00 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1u3l h PHE 115 Cb 0.94 0.01 -0.03 0.00 2.00 0.00 0.00 35.95 38.87 1u3l h PHE 115 CO 0.10 0.25 0.36 0.82 -0.18 0.00 0.00 178.31 179.66 1u3l h ILE 116 N -0.30 1.15 -0.20 -0.55 2.04 -1.05 -0.35 117.51 118.24 1u3l h ILE 116 Ca -0.00 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1u3l h ILE 116 Cb 0.29 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1u3l h ILE 116 CO 0.00 0.15 -0.18 0.00 0.00 0.00 0.00 178.15 178.12 1u3l h ALA 117 N 1.19 1.33 0.53 1.87 0.00 -1.39 0.18 119.26 122.96 1u3l h ALA 117 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u3l h ALA 117 Cb -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.62 1u3l h ALA 117 CO -0.04 0.45 -0.25 1.49 0.00 0.00 0.00 179.25 180.90 1u3l h GLU 118 N 0.32 -0.68 -0.70 0.00 4.81 -0.86 0.65 114.58 118.12 1u3l h GLU 118 Ca 0.06 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 1u3l h GLU 118 Cb 0.50 0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.99 1u3l h GLU 118 CO 0.03 -0.38 0.46 -0.44 -0.73 0.00 0.00 179.01 177.96 1u3l h ASP 119 N -0.92 0.46 -0.01 1.04 3.45 -0.69 -0.49 116.42 119.27 1u3l h ASP 119 Ca -0.07 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.40 1u3l h ASP 119 Cb 0.61 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1u3l h ASP 119 CO 0.12 0.26 -0.03 0.18 -1.57 0.00 0.00 179.24 178.20 1u3l n LEU 120 N -4.48 2.25 -2.56 1.55 4.77 0.02 -4.68 117.00 113.87 1u3l n LEU 120 Ca 0.12 -0.75 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 1u3l n LEU 120 Cb 0.40 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1u3l n LEU 120 CO 0.33 0.38 -0.20 0.61 -1.33 0.00 0.00 177.39 177.18 1u3l n GLY 121 N 1.28 -0.51 1.74 -0.72 0.00 0.04 -4.95 105.19 102.07 1u3l n GLY 121 Ca 0.16 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1u3l n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u3l s HIS 123 N -1.70 3.45 0.49 0.00 5.65 -1.26 -4.54 115.29 117.38 1u3l s HIS 123 Ca 0.04 0.72 0.23 0.00 0.25 0.00 0.00 55.06 56.30 1u3l s HIS 123 Cb -0.00 -2.14 1.30 0.00 -1.18 0.00 0.00 32.58 30.55 1u3l s HIS 123 CO 0.03 0.31 1.94 0.52 -0.65 0.00 0.00 174.74 176.89 1u3l h MET 124 N 2.50 0.15 0.00 2.88 0.00 -1.92 -0.93 114.93 117.60 1u3l h MET 124 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 59.70 59.22 1u3l h MET 124 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 31.60 32.74 1u3l h MET 124 CO 0.70 0.10 0.00 0.22 0.00 0.00 0.00 176.91 177.93 1u3l h ASP 125 N 0.15 0.00 -0.37 1.22 3.58 -1.96 -0.10 116.42 118.95 1u3l h ASP 125 Ca 0.35 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1u3l h ASP 125 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1u3l h ASP 125 CO -0.05 0.00 0.00 0.47 -2.88 0.00 0.00 179.24 176.78 1u3l n ASP 126 N -2.36 2.57 -3.99 2.28 10.43 -0.35 -4.82 116.55 120.31 1u3l n ASP 126 Ca 0.00 -1.91 -0.25 0.00 2.57 0.00 0.00 54.79 55.21 1u3l n ASP 126 Cb 0.14 -0.24 -0.17 0.00 1.84 0.00 0.00 41.12 42.69 1u3l n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1u3l s VAL 127 N -1.51 1.06 -0.01 2.53 1.01 -0.05 -1.55 120.40 121.88 1u3l s VAL 127 Ca 0.35 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1u3l s VAL 127 Cb 0.19 -1.00 -0.01 0.00 0.00 0.00 0.00 36.38 35.56 1u3l s VAL 127 CO 0.26 0.35 -0.10 0.21 0.00 0.00 0.00 175.10 175.82 1u3l s ASN 128 N 0.91 1.15 0.01 3.32 2.47 -0.91 -4.94 114.94 116.95 1u3l s ASN 128 Ca -0.10 -0.18 0.03 0.00 0.42 0.00 0.00 52.86 53.03 1u3l s ASN 128 Cb -0.15 -0.13 -0.01 0.00 -1.45 0.00 0.00 41.25 39.51 1u3l s ASN 128 CO 0.01 0.12 -0.09 -0.69 -3.72 0.00 0.00 177.10 172.73 1u3l s VAL 129 N -0.24 0.68 0.27 -5.21 1.01 -1.26 -1.17 120.40 114.48 1u3l s VAL 129 Ca 0.04 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 1u3l s VAL 129 Cb -0.04 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1u3l s VAL 129 CO -0.00 0.07 0.33 -1.59 0.00 0.00 0.00 175.10 173.90 1u3l s LYS 130 N -0.53 1.57 0.09 2.72 -2.85 -0.14 -4.94 119.74 115.67 1u3l s LYS 130 Ca 0.01 -1.65 -0.03 0.00 -1.00 0.00 0.00 55.97 53.29 1u3l s LYS 130 Cb -0.05 0.37 -0.03 0.00 -2.06 0.00 0.00 37.83 36.07 1u3l s LYS 130 CO 0.00 -0.60 0.08 0.00 0.10 0.00 0.00 175.35 174.92 1u3l s ALA 131 N -3.70 0.40 -0.04 0.59 0.00 -1.26 -0.70 121.76 117.05 1u3l s ALA 131 Ca 0.33 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1u3l s ALA 131 Cb 0.02 0.55 0.07 0.00 0.00 0.00 0.00 23.12 23.76 1u3l s ALA 131 CO 0.16 -0.46 0.69 -0.08 0.00 0.00 0.00 175.76 176.07 1u3l s THR 132 N -3.95 0.00 0.29 0.00 -1.32 0.16 -4.88 115.64 105.94 1u3l s THR 132 Ca 0.12 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.67 1u3l s THR 132 Cb 0.07 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1u3l s THR 132 CO -0.06 0.00 0.32 0.42 -2.21 0.00 0.00 174.62 173.09 1u3l s THR 133 N -1.35 4.27 -0.45 5.08 -4.23 -1.25 -0.61 115.64 117.11 1u3l s THR 133 Ca -0.10 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 1u3l s THR 133 Cb -0.00 -3.44 0.64 0.00 1.34 0.00 0.00 72.50 71.04 1u3l s THR 133 CO 0.08 -0.25 1.88 0.35 -0.54 0.00 0.00 174.62 176.14 1u3l n THR 134 N -1.39 3.17 -4.07 3.99 -2.24 -1.26 -4.92 114.28 107.56 1u3l n THR 134 Ca -0.05 -2.09 -0.36 0.00 -2.27 0.00 0.00 64.05 59.29 1u3l n THR 134 Cb 0.58 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 1u3l n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u3l n GLU 135 N -1.13 -1.16 -0.72 -0.78 -0.58 -1.26 -1.20 120.64 113.81 1u3l n GLU 135 Ca 0.57 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 1u3l n GLU 135 Cb 1.54 -3.45 0.00 0.00 -0.57 0.00 0.00 31.44 28.97 1u3l n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u3l n LYS 136 N -4.67 0.00 -3.42 3.49 4.76 -1.26 -5.00 118.16 112.05 1u3l n LYS 136 Ca -0.21 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 54.90 1u3l n LYS 136 Cb 0.63 -3.31 -0.05 0.00 -1.84 0.00 0.00 35.03 30.46 1u3l n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u3l s LEU 137 N 0.00 4.25 0.00 -0.35 1.43 -0.34 -4.08 118.68 119.58 1u3l s LEU 137 Ca 0.00 0.95 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1u3l s LEU 137 Cb 0.00 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.78 1u3l s LEU 137 CO 0.00 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1u3l n GLY 138 N 0.33 -2.08 0.25 -3.19 0.00 -1.26 -0.51 105.19 98.72 1u3l n GLY 138 Ca -0.03 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.66 1u3l n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1u3l h PHE 139 N -0.17 0.00 0.01 1.61 -5.15 -1.96 0.28 116.94 111.56 1u3l h PHE 139 Ca 0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 1u3l h PHE 139 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.35 1u3l h PHE 139 CO 0.00 0.14 -0.14 1.79 -2.00 0.00 0.00 178.31 178.10 1u3l h THR 140 N 0.00 1.62 0.00 0.88 1.35 -1.77 0.18 112.91 115.18 1u3l h THR 140 Ca -0.00 -2.00 -0.01 0.00 -0.55 0.00 0.00 66.41 63.85 1u3l h THR 140 Cb 0.27 2.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1u3l h THR 140 CO 0.02 0.53 -0.02 1.23 -0.25 0.00 0.00 175.52 177.03 1u3l h GLY 141 N -0.69 0.00 0.36 5.82 0.00 -0.08 -1.03 103.07 107.45 1u3l h GLY 141 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1u3l h GLY 141 CO 0.03 0.00 -0.06 0.54 0.00 0.00 0.00 176.54 177.05 1u3l n ARG 142 N -4.37 1.14 -1.06 4.80 1.74 0.93 -4.41 116.66 115.43 1u3l n ARG 142 Ca -0.03 -0.47 -0.02 0.00 -0.77 0.00 0.00 57.85 56.56 1u3l n ARG 142 Cb 0.11 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 1u3l n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u3l n GLY 143 N 1.18 0.54 0.17 -0.13 0.00 -0.39 -4.92 105.19 101.63 1u3l n GLY 143 Ca 0.18 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.49 1u3l n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u3l h GLU 144 N 0.19 0.00 0.00 1.61 5.08 -0.84 -3.45 114.58 117.17 1u3l h GLU 144 Ca -0.04 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.54 1u3l h GLU 144 Cb 0.15 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 1u3l h GLU 144 CO 0.06 0.39 0.61 0.41 -1.00 0.00 0.00 179.01 179.48 1u3l n GLY 145 N 0.99 0.46 3.25 -3.84 0.00 -1.16 -1.59 105.19 103.30 1u3l n GLY 145 Ca 0.02 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 1u3l n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u3l s ILE 146 N -2.09 1.63 0.33 -0.61 1.01 -0.50 -4.39 121.20 116.58 1u3l s ILE 146 Ca 0.21 -1.29 0.05 0.00 0.00 0.00 0.00 60.65 59.62 1u3l s ILE 146 Cb -0.01 -1.44 -0.06 0.00 0.01 0.00 0.00 42.46 40.95 1u3l s ILE 146 CO 0.01 0.11 0.02 0.00 0.00 0.00 0.00 174.94 175.07 1u3l s ALA 147 N -0.92 2.50 -0.22 9.38 0.00 -0.76 -1.81 121.76 129.94 1u3l s ALA 147 Ca 0.07 -2.06 -0.27 0.00 0.00 0.00 0.00 51.96 49.70 1u3l s ALA 147 Cb -0.09 0.44 0.08 0.00 0.00 0.00 0.00 23.12 23.55 1u3l s ALA 147 CO 0.02 -0.21 0.78 0.00 0.00 0.00 0.00 175.76 176.35 1u3l s GLU 149 N -0.09 1.36 -0.07 0.00 2.02 -0.16 -1.40 118.70 120.36 1u3l s GLU 149 Ca -0.02 -1.51 -0.26 0.00 0.02 0.00 0.00 54.97 53.19 1u3l s GLU 149 Cb -0.04 -1.37 0.06 0.00 0.10 0.00 0.00 34.13 32.88 1u3l s GLU 149 CO 0.02 0.26 0.60 0.00 0.02 0.00 0.00 175.26 176.16 1u3l s ALA 150 N -2.33 -1.54 0.11 5.21 0.00 -0.61 -0.46 121.76 122.14 1u3l s ALA 150 Ca 0.20 1.19 0.06 0.00 0.00 0.00 0.00 51.96 53.41 1u3l s ALA 150 Cb -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1u3l s ALA 150 CO 0.08 -0.34 -0.16 0.14 0.00 0.00 0.00 175.76 175.49 1u3l s VAL 151 N -0.99 1.39 0.02 0.00 -7.23 -0.04 -1.13 120.40 112.42 1u3l s VAL 151 Ca -0.10 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1u3l s VAL 151 Cb -0.02 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 1u3l s VAL 151 CO 0.07 -0.29 -0.01 0.00 -0.31 0.00 0.00 175.10 174.57 1u3l s ALA 152 N -1.70 0.12 -0.12 1.32 0.00 -0.93 -1.05 121.76 119.40 1u3l s ALA 152 Ca 0.06 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.38 1u3l s ALA 152 Cb -0.07 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1u3l s ALA 152 CO 0.03 -0.20 -0.09 -1.17 0.00 0.00 0.00 175.76 174.32 1u3l s LEU 153 N -1.71 1.32 0.22 0.00 0.20 0.53 -1.15 118.68 118.10 1u3l s LEU 153 Ca -0.12 -0.35 0.07 0.00 0.69 0.00 0.00 54.13 54.42 1u3l s LEU 153 Cb -0.07 -0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 44.73 1u3l s LEU 153 CO -0.02 -0.10 0.14 -0.76 -0.29 0.00 0.00 176.35 175.32 1u3l s LEU 154 N 1.62 3.70 0.00 -0.68 1.43 0.17 0.11 118.68 125.03 1u3l s LEU 154 Ca 0.04 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.92 1u3l s LEU 154 Cb -0.13 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.87 1u3l s LEU 154 CO -0.08 0.01 0.67 -0.38 0.23 0.00 0.00 176.35 176.79