#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u40 s ARG 2 N 0.00 1.41 0.05 0.03 0.52 0.10 -4.94 118.95 116.13 1u40 s ARG 2 Ca 0.00 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.18 1u40 s ARG 2 Cb 0.00 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.81 1u40 s ARG 2 CO 0.00 0.40 -0.02 -1.50 0.02 0.00 0.00 175.30 174.20 1u40 s ILE 3 N -0.91 3.91 0.04 1.52 2.07 -1.26 0.07 121.20 126.64 1u40 s ILE 3 Ca 0.09 -0.88 -0.00 0.00 -1.41 0.00 0.00 60.65 58.44 1u40 s ILE 3 Cb -0.09 -2.80 -0.03 0.00 0.13 0.00 0.00 42.46 39.66 1u40 s ILE 3 CO 0.03 0.23 -0.04 -0.83 -1.91 0.00 0.00 174.94 172.43 1u40 s GLY 4 N -1.94 0.41 -0.01 1.50 0.00 0.11 -3.90 107.32 103.49 1u40 s GLY 4 Ca 0.22 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.97 1u40 s GLY 4 CO 0.14 -1.07 -0.01 -1.58 0.00 0.00 0.00 173.10 170.58 1u40 s HIS 5 N -2.88 0.27 0.16 1.90 2.46 -1.25 -2.04 115.29 113.91 1u40 s HIS 5 Ca -0.02 -0.02 0.05 0.00 0.47 0.00 0.00 55.06 55.54 1u40 s HIS 5 Cb 0.00 -0.27 -0.05 0.00 -0.13 0.00 0.00 32.58 32.14 1u40 s HIS 5 CO -0.06 -0.06 -0.10 0.20 -2.47 0.00 0.00 174.74 172.25 1u40 s GLY 6 N 0.42 1.15 -0.19 1.59 0.00 -0.50 -4.16 107.32 105.64 1u40 s GLY 6 Ca -0.04 -1.54 -0.20 0.00 0.00 0.00 0.00 44.72 42.94 1u40 s GLY 6 CO -0.01 -1.63 0.56 -0.12 0.00 0.00 0.00 173.10 171.90 1u40 s PHE 7 N -3.27 -0.59 0.09 1.90 5.36 -1.26 -2.15 117.98 118.06 1u40 s PHE 7 Ca 0.18 1.40 -0.19 0.00 -0.96 0.00 0.00 56.93 57.36 1u40 s PHE 7 Cb 0.02 0.22 0.04 0.00 -0.34 0.00 0.00 43.02 42.97 1u40 s PHE 7 CO 0.02 -0.33 0.46 0.34 -1.46 0.00 0.00 175.22 174.25 1u40 s ASP 8 N 0.07 -0.35 -0.06 6.13 3.68 -0.43 -4.73 116.67 120.99 1u40 s ASP 8 Ca -0.02 -0.08 -0.09 0.00 2.13 0.00 0.00 52.55 54.48 1u40 s ASP 8 Cb -0.04 0.49 0.02 0.00 -1.45 0.00 0.00 42.92 41.94 1u40 s ASP 8 CO 0.02 -0.80 0.24 -0.69 0.13 0.00 0.00 175.17 174.06 1u40 s VAL 9 N -3.20 0.03 -0.01 1.11 1.01 -1.26 -0.72 120.40 117.35 1u40 s VAL 9 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.74 1u40 s VAL 9 Cb 0.00 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.98 1u40 s VAL 9 CO -0.08 -0.12 0.03 -1.00 0.00 0.00 0.00 175.10 173.93 1u40 s HIS 10 N -0.42 -0.03 0.26 5.22 3.76 -0.54 -5.00 115.29 118.55 1u40 s HIS 10 Ca -0.05 0.09 -0.19 0.00 -0.15 0.00 0.00 55.06 54.75 1u40 s HIS 10 Cb -0.03 -0.02 -0.09 0.00 1.11 0.00 0.00 32.58 33.55 1u40 s HIS 10 CO 0.01 -0.03 0.75 0.00 -0.85 0.00 0.00 174.74 174.63 1u40 s ALA 11 N 0.15 3.36 0.61 -1.40 0.00 -1.26 -1.37 121.76 121.85 1u40 s ALA 11 Ca -0.01 0.18 -0.16 0.00 0.00 0.00 0.00 51.96 51.97 1u40 s ALA 11 Cb -0.02 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 1u40 s ALA 11 CO -0.00 0.31 1.10 -0.06 0.00 0.00 0.00 175.76 177.10 1u40 s PHE 12 N -1.65 2.73 0.00 0.00 0.08 -0.80 0.06 117.98 118.39 1u40 s PHE 12 Ca 0.47 1.54 0.00 0.00 0.12 0.00 0.00 56.93 59.06 1u40 s PHE 12 Cb -0.15 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1u40 s PHE 12 CO 0.20 -1.50 0.00 0.41 -0.10 0.00 0.00 175.22 174.23 1u40 n GLY 13 N -0.47 1.57 7.00 4.36 0.00 0.22 -4.60 105.19 113.27 1u40 n GLY 13 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1u40 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u40 n GLY 14 N -0.12 -1.32 3.90 -0.02 0.00 -1.26 -2.91 105.19 103.46 1u40 n GLY 14 Ca 0.00 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1u40 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u40 s GLU 15 N 0.00 3.64 0.83 1.61 0.41 -1.26 -2.54 118.70 121.39 1u40 s GLU 15 Ca 0.00 -0.02 -0.14 0.00 -0.41 0.00 0.00 54.97 54.40 1u40 s GLU 15 Cb 0.00 -2.71 0.21 0.00 -1.78 0.00 0.00 34.13 29.85 1u40 s GLU 15 CO 0.00 0.30 0.70 0.41 -0.49 0.00 0.00 175.26 176.17 1u40 n GLY 16 N -0.61 -2.85 3.97 -1.39 0.00 -0.75 -3.20 105.19 100.37 1u40 n GLY 16 Ca -0.02 -1.45 -0.26 0.00 0.00 0.00 0.00 46.02 44.30 1u40 n GLY 16 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u40 s PRO 17 N -4.59 1.25 0.24 1.61 0.04 -1.26 -4.84 135.00 127.45 1u40 s PRO 17 Ca 0.46 -0.92 0.09 0.00 0.04 0.00 0.00 61.00 60.67 1u40 s PRO 17 Cb -0.05 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1u40 s PRO 17 CO 0.36 -1.83 0.02 0.96 0.04 0.00 0.00 177.00 176.55 1u40 s ILE 18 N -3.42 3.62 -0.23 0.56 -4.36 0.28 -4.63 121.20 113.02 1u40 s ILE 18 Ca 0.70 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 1u40 s ILE 18 Cb -0.04 -2.90 0.03 0.00 1.25 0.00 0.00 42.46 40.79 1u40 s ILE 18 CO 0.48 -0.30 -0.12 -0.63 0.24 0.00 0.00 174.94 174.61 1u40 s ILE 19 N -2.13 2.46 -0.08 8.37 -1.09 -1.26 -0.06 121.20 127.40 1u40 s ILE 19 Ca 0.30 -1.12 -0.00 0.00 -2.23 0.00 0.00 60.65 57.60 1u40 s ILE 19 Cb -0.07 -2.22 0.02 0.00 -1.58 0.00 0.00 42.46 38.61 1u40 s ILE 19 CO 0.20 0.27 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.50 1u40 s ILE 20 N 1.27 0.73 -1.50 2.92 -1.09 -0.55 -3.95 121.20 119.02 1u40 s ILE 20 Ca -0.00 -0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1u40 s ILE 20 Cb -0.16 -0.79 0.00 0.00 -1.58 0.00 0.00 42.46 39.93 1u40 s ILE 20 CO -0.07 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 174.55 1u40 n GLY 21 N 4.78 0.48 1.94 6.18 0.00 -1.26 -2.03 105.19 115.28 1u40 n GLY 21 Ca -0.13 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1u40 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u40 n GLY 22 N -1.01 2.96 3.74 -0.02 0.00 -1.26 -4.48 105.19 105.12 1u40 n GLY 22 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1u40 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u40 s VAL 23 N -1.75 4.23 -0.59 1.61 1.01 -0.86 -4.98 120.40 119.08 1u40 s VAL 23 Ca 0.00 2.00 -0.22 0.00 0.00 0.00 0.00 61.98 63.75 1u40 s VAL 23 Cb 0.00 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.17 1u40 s VAL 23 CO 0.00 0.37 0.89 -0.60 0.00 0.00 0.00 175.10 175.77 1u40 s ARG 24 N -0.49 3.20 -0.22 2.72 3.52 -1.26 -1.48 118.95 124.93 1u40 s ARG 24 Ca 0.45 -0.63 -0.12 0.00 -0.13 0.00 0.00 55.73 55.30 1u40 s ARG 24 Cb -0.25 -4.14 -0.05 0.00 -1.56 0.00 0.00 34.95 28.95 1u40 s ARG 24 CO 0.32 -1.58 0.20 0.42 -0.81 0.00 0.00 175.30 173.85 1u40 s ILE 25 N 3.74 5.34 0.20 4.11 1.01 0.91 -4.92 121.20 131.59 1u40 s ILE 25 Ca 0.24 0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1u40 s ILE 25 Cb -0.16 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 1u40 s ILE 25 CO 0.14 0.36 1.25 -2.16 0.00 0.00 0.00 174.94 174.52 1u40 s PRO 26 N 0.88 4.44 0.06 2.79 0.04 -1.26 -0.56 135.00 141.39 1u40 s PRO 26 Ca 0.10 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.90 1u40 s PRO 26 Cb -0.13 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.25 1u40 s PRO 26 CO 0.03 -0.16 0.50 -0.47 0.04 0.00 0.00 177.00 176.94 1u40 s TYR 27 N -0.07 -0.38 0.09 0.56 5.04 -1.26 -4.88 117.35 116.45 1u40 s TYR 27 Ca 0.54 0.38 -0.35 0.00 -2.44 0.00 0.00 57.07 55.20 1u40 s TYR 27 Cb -0.35 0.32 -0.16 0.00 0.35 0.00 0.00 41.96 42.12 1u40 s TYR 27 CO 0.38 -0.64 1.57 0.93 -1.34 0.00 0.00 175.55 176.45 1u40 h GLU 28 N 2.76 -0.92 -6.40 4.97 5.08 -1.96 -3.23 114.58 114.87 1u40 h GLU 28 Ca -0.31 0.06 -0.44 0.00 -1.00 0.00 0.00 59.36 57.67 1u40 h GLU 28 Cb 1.22 0.21 0.01 0.00 0.50 0.00 0.00 28.75 30.69 1u40 h GLU 28 CO 0.42 -0.61 -0.29 -1.59 -1.00 0.00 0.00 179.01 175.94 1u40 s LYS 29 N -5.90 3.04 0.00 2.33 -2.85 -1.26 -1.80 119.74 113.30 1u40 s LYS 29 Ca -0.18 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 1u40 s LYS 29 Cb 0.05 -2.77 0.00 0.00 -2.06 0.00 0.00 37.83 33.05 1u40 s LYS 29 CO 0.61 -0.06 0.00 0.41 0.10 0.00 0.00 175.35 176.41 1u40 n GLY 30 N -1.75 3.85 3.42 0.59 0.00 -1.05 -3.80 105.19 106.44 1u40 n GLY 30 Ca 0.02 -2.17 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 1u40 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u40 s LEU 31 N 0.00 2.82 -0.10 0.99 1.43 -1.24 0.69 118.68 123.28 1u40 s LEU 31 Ca 0.00 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.55 1u40 s LEU 31 Cb 0.00 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1u40 s LEU 31 CO 0.00 0.20 0.97 -0.76 0.23 0.00 0.00 176.35 176.99 1u40 s LEU 32 N 0.14 4.26 -0.20 1.79 1.43 0.11 -4.79 118.68 121.41 1u40 s LEU 32 Ca -0.06 1.50 -0.32 0.00 -1.03 0.00 0.00 54.13 54.22 1u40 s LEU 32 Cb -0.15 -3.51 0.15 0.00 0.03 0.00 0.00 46.19 42.72 1u40 s LEU 32 CO 0.04 -0.41 1.19 0.00 0.23 0.00 0.00 176.35 177.41 1u40 s ALA 33 N 1.85 -2.04 0.04 4.21 0.00 -1.26 -4.30 121.76 120.26 1u40 s ALA 33 Ca 0.47 1.67 -0.28 0.00 0.00 0.00 0.00 51.96 53.82 1u40 s ALA 33 Cb -0.18 -0.69 -0.17 0.00 0.00 0.00 0.00 23.12 22.08 1u40 s ALA 33 CO 0.19 -0.41 1.41 1.25 0.00 0.00 0.00 175.76 178.19 1u40 h HIS 34 N 2.16 -0.56 -0.09 0.00 2.76 -1.94 -3.44 115.15 114.04 1u40 h HIS 34 Ca -0.12 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1u40 h HIS 34 Cb 1.17 0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.32 1u40 h HIS 34 CO 0.26 -0.27 0.00 -1.13 -1.30 0.00 0.00 177.93 175.49 1u40 n SER 35 N -5.28 0.00 -0.54 3.26 3.41 -1.24 0.10 113.62 113.34 1u40 n SER 35 Ca -0.11 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.60 1u40 n SER 35 Cb 0.29 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.59 1u40 n SER 35 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1u40 n ASP 36 N 0.00 1.60 -1.84 4.04 3.85 -1.00 -4.13 116.55 119.07 1u40 n ASP 36 Ca 0.00 -1.74 -0.19 0.00 -0.71 0.00 0.00 54.79 52.15 1u40 n ASP 36 Cb 0.00 -0.12 -0.04 0.00 -1.35 0.00 0.00 41.12 39.61 1u40 n ASP 36 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u40 n GLY 37 N 1.10 0.69 3.57 6.12 0.00 -1.26 -4.60 105.19 110.80 1u40 n GLY 37 Ca 0.15 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 1u40 n GLY 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u40 s ASP 38 N -2.46 4.87 0.30 1.61 -1.08 -1.25 -4.78 116.67 113.88 1u40 s ASP 38 Ca 0.00 -1.13 0.05 0.00 -0.52 0.00 0.00 52.55 50.95 1u40 s ASP 38 Cb 0.00 -2.58 0.77 0.00 -1.46 0.00 0.00 42.92 39.66 1u40 s ASP 38 CO 0.00 -3.14 1.71 0.58 0.52 0.00 0.00 175.17 174.84 1u40 h VAL 39 N 6.72 0.50 -0.44 1.11 2.07 -1.90 -0.89 116.25 123.42 1u40 h VAL 39 Ca 0.14 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1u40 h VAL 39 Cb 0.97 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1u40 h VAL 39 CO 1.19 0.08 0.08 0.00 0.02 0.00 0.00 177.57 178.94 1u40 h ALA 40 N 1.71 0.58 0.00 1.67 0.00 -1.89 -1.12 119.26 120.21 1u40 h ALA 40 Ca 0.58 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 1u40 h ALA 40 Cb 1.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1u40 h ALA 40 CO -0.51 0.30 -0.57 -0.07 0.00 0.00 0.00 179.25 178.40 1u40 h LEU 41 N 0.58 0.00 0.02 0.00 3.38 -1.71 -0.74 115.31 116.84 1u40 h LEU 41 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1u40 h LEU 41 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1u40 h LEU 41 CO 0.01 0.57 -0.01 0.45 0.09 0.00 0.00 178.44 179.54 1u40 h HIS 42 N 0.00 -0.02 -0.60 1.13 3.86 -1.07 0.24 115.15 118.69 1u40 h HIS 42 Ca -0.01 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.26 1u40 h HIS 42 Cb 1.29 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.72 1u40 h HIS 42 CO 0.00 0.40 0.31 0.00 0.86 0.00 0.00 177.93 179.50 1u40 h ALA 43 N 0.51 0.79 -0.46 2.45 0.00 -1.17 -1.56 119.26 119.81 1u40 h ALA 43 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1u40 h ALA 43 Cb 0.44 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1u40 h ALA 43 CO 0.00 -0.03 0.29 1.25 0.00 0.00 0.00 179.25 180.77 1u40 h LEU 44 N 0.58 0.54 -0.17 0.00 5.85 -0.98 -2.59 115.31 118.54 1u40 h LEU 44 Ca 0.27 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1u40 h LEU 44 Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1u40 h LEU 44 CO -0.18 0.41 -0.05 0.74 -0.34 0.00 0.00 178.44 179.02 1u40 h THR 45 N 0.62 0.82 -0.45 1.05 2.02 -0.01 -1.75 112.91 115.21 1u40 h THR 45 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 1u40 h THR 45 Cb -0.04 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1u40 h THR 45 CO -0.03 0.00 0.30 0.44 0.37 0.00 0.00 175.52 176.59 1u40 h ASP 46 N -0.01 0.45 -0.43 4.18 3.45 -1.18 0.66 116.42 123.54 1u40 h ASP 46 Ca 0.08 -0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.48 1u40 h ASP 46 Cb 0.13 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 1u40 h ASP 46 CO -0.18 0.32 0.03 0.00 -1.57 0.00 0.00 179.24 177.84 1u40 h ALA 47 N 1.74 0.57 0.13 3.45 0.00 -0.95 0.41 119.26 124.62 1u40 h ALA 47 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u40 h ALA 47 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1u40 h ALA 47 CO -0.04 0.33 -0.06 -0.07 0.00 0.00 0.00 179.25 179.40 1u40 h LEU 48 N 0.58 -0.15 -0.86 0.00 3.38 -0.71 -1.16 115.31 116.39 1u40 h LEU 48 Ca 0.13 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.83 1u40 h LEU 48 Cb 0.44 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1u40 h LEU 48 CO 0.02 0.24 0.55 -0.07 0.09 0.00 0.00 178.44 179.27 1u40 h LEU 49 N -0.57 0.90 -0.19 1.67 3.38 -0.91 -1.03 115.31 118.56 1u40 h LEU 49 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1u40 h LEU 49 Cb 0.44 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1u40 h LEU 49 CO 0.03 0.61 -0.05 1.23 0.09 0.00 0.00 178.44 180.35 1u40 h GLY 50 N 1.05 0.14 2.00 0.83 0.00 -0.04 0.54 103.07 107.59 1u40 h GLY 50 Ca 0.35 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1u40 h GLY 50 CO -0.13 -0.07 -0.16 0.00 0.00 0.00 0.00 176.54 176.18 1u40 h ALA 51 N 1.19 1.18 -0.00 3.60 0.00 -0.70 -1.67 119.26 122.86 1u40 h ALA 51 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1u40 h ALA 51 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1u40 h ALA 51 CO -0.19 0.19 -0.29 0.00 0.00 0.00 0.00 179.25 178.96 1u40 n ALA 52 N -2.26 3.11 -3.02 0.00 0.00 -0.44 -4.65 120.51 113.25 1u40 n ALA 52 Ca -0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.94 1u40 n ALA 52 Cb 0.30 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.59 1u40 n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u40 n ALA 53 N -1.10 -0.79 -0.15 0.00 0.00 0.00 -4.92 120.51 113.55 1u40 n ALA 53 Ca 0.10 0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.88 1u40 n ALA 53 Cb 0.33 -3.44 0.24 0.00 0.00 0.00 0.00 19.45 16.58 1u40 n ALA 53 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1u40 n LEU 54 N -3.26 3.46 0.00 0.00 4.77 -0.17 -5.03 117.00 116.78 1u40 n LEU 54 Ca -0.04 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.08 1u40 n LEU 54 Cb 0.56 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1u40 n LEU 54 CO 0.39 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.90 1u40 n GLY 55 N 1.23 0.99 3.81 -0.72 0.00 -1.25 -4.85 105.19 104.40 1u40 n GLY 55 Ca 0.19 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1u40 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1u40 s ASP 56 N -4.00 -0.13 0.20 1.61 1.47 -1.26 -4.03 116.67 110.54 1u40 s ASP 56 Ca 0.00 -0.83 -0.10 0.00 1.18 0.00 0.00 52.55 52.79 1u40 s ASP 56 Cb 0.00 0.76 0.18 0.00 -0.34 0.00 0.00 42.92 43.52 1u40 s ASP 56 CO 0.00 -1.45 1.84 -0.29 0.68 0.00 0.00 175.17 175.95 1u40 h ILE 57 N 2.02 1.09 0.00 2.11 2.10 -1.92 -1.38 117.51 121.53 1u40 h ILE 57 Ca -0.24 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.41 1u40 h ILE 57 Cb 1.25 0.19 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 1u40 h ILE 57 CO 0.30 0.15 0.00 0.61 -1.08 0.00 0.00 178.15 178.13 1u40 n GLY 58 N -1.29 -0.94 0.09 8.18 0.00 -1.26 -0.47 105.19 109.50 1u40 n GLY 58 Ca 0.07 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 1u40 n GLY 58 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1u40 h LYS 59 N 0.00 0.00 -0.37 1.61 3.64 -1.64 -3.32 116.57 116.48 1u40 h LYS 59 Ca 0.00 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 1u40 h LYS 59 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1u40 h LYS 59 CO 0.00 0.83 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.78 1u40 h LEU 60 N -1.00 0.79 -6.99 5.20 4.07 -1.20 -3.39 115.31 112.79 1u40 h LEU 60 Ca -0.22 -0.40 -0.62 0.00 0.08 0.00 0.00 57.88 56.72 1u40 h LEU 60 Cb 1.09 -0.22 -0.40 0.00 1.08 0.00 0.00 40.66 42.21 1u40 h LEU 60 CO -0.14 1.01 -0.70 -0.36 -1.08 0.00 0.00 178.44 177.17 1u40 s PHE 61 N -4.66 2.53 -0.02 1.13 0.08 0.38 -5.10 117.98 112.32 1u40 s PHE 61 Ca -0.12 -2.81 -0.39 0.00 0.12 0.00 0.00 56.93 53.72 1u40 s PHE 61 Cb 0.10 -2.15 -0.19 0.00 -0.57 0.00 0.00 43.02 40.21 1u40 s PHE 61 CO 0.82 -0.71 1.24 -2.30 -0.10 0.00 0.00 175.22 174.18 1u40 n PRO 62 N 2.90 0.49 -0.17 0.24 -0.02 -1.25 -4.45 135.00 132.73 1u40 n PRO 62 Ca 0.14 0.18 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 1u40 n PRO 62 Cb 0.36 -1.74 0.42 0.00 -0.02 0.00 0.00 33.50 32.52 1u40 n PRO 62 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1u40 h ASP 63 N 3.94 0.54 1.40 2.55 3.58 -1.92 -1.76 116.42 124.75 1u40 h ASP 63 Ca -0.49 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 56.85 1u40 h ASP 63 Cb 1.38 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.32 1u40 h ASP 63 CO 0.74 0.32 -0.61 0.71 -2.88 0.00 0.00 179.24 177.52 1u40 h THR 64 N 0.60 0.96 -2.46 2.25 1.35 -1.96 -3.45 112.91 110.20 1u40 h THR 64 Ca 0.34 -2.36 -0.55 0.00 -0.55 0.00 0.00 66.41 63.29 1u40 h THR 64 Cb 0.53 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1u40 h THR 64 CO -0.12 0.55 1.19 -0.62 -0.25 0.00 0.00 175.52 176.27 1u40 s ASP 65 N -6.46 6.43 0.64 5.36 -1.08 -0.66 -4.88 116.67 116.02 1u40 s ASP 65 Ca 0.03 2.34 0.36 0.00 -0.52 0.00 0.00 52.55 54.77 1u40 s ASP 65 Cb 0.08 -2.53 2.01 0.00 -1.46 0.00 0.00 42.92 41.02 1u40 s ASP 65 CO 0.76 -1.11 2.19 1.55 0.52 0.00 0.00 175.17 179.08 1u40 h PRO 66 N 10.64 0.00 0.00 4.34 0.13 -1.86 -2.90 132.00 142.35 1u40 h PRO 66 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1u40 h PRO 66 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1u40 h PRO 66 CO 0.95 0.00 -0.34 0.00 -0.23 0.00 0.00 178.00 178.38 1u40 h ALA 67 N 1.78 1.36 -0.10 -0.56 0.00 -1.94 -2.19 119.26 117.62 1u40 h ALA 67 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u40 h ALA 67 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u40 h ALA 67 CO -0.00 0.42 0.00 1.19 0.00 0.00 0.00 179.25 180.86 1u40 n PHE 68 N -4.02 0.13 -2.39 0.00 0.99 -1.09 -4.57 117.46 106.51 1u40 n PHE 68 Ca -0.02 -0.07 -0.42 0.00 -0.00 0.00 0.00 57.45 56.95 1u40 n PHE 68 Cb 0.39 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 38.85 1u40 n PHE 68 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 1u40 s LYS 69 N -1.87 3.33 0.00 -1.08 2.20 -0.82 -2.02 119.74 119.48 1u40 s LYS 69 Ca 0.17 0.52 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1u40 s LYS 69 Cb 0.09 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.29 1u40 s LYS 69 CO 0.13 -1.89 0.00 0.41 -0.36 0.00 0.00 175.35 173.64 1u40 n GLY 70 N 5.24 0.72 3.61 5.54 0.00 0.28 -4.95 105.19 115.63 1u40 n GLY 70 Ca 0.13 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.66 1u40 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u40 n ALA 71 N -0.73 -0.13 -1.96 4.61 0.00 -0.86 -4.30 120.51 117.15 1u40 n ALA 71 Ca 0.00 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 1u40 n ALA 71 Cb 0.00 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 1u40 n ALA 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1u40 s ASP 72 N 0.38 6.19 0.65 0.00 -1.08 -1.26 -2.38 116.67 119.16 1u40 s ASP 72 Ca 0.77 1.78 0.38 0.00 -0.52 0.00 0.00 52.55 54.96 1u40 s ASP 72 Cb -0.82 -2.53 2.09 0.00 -1.46 0.00 0.00 42.92 40.20 1u40 s ASP 72 CO 0.47 -1.39 2.23 0.28 0.52 0.00 0.00 175.17 177.28 1u40 h SER 73 N 11.63 0.00 0.78 -0.34 0.02 -1.96 0.29 113.55 123.97 1u40 h SER 73 Ca -0.37 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.45 1u40 h SER 73 Cb 1.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1u40 h SER 73 CO 0.99 0.00 -0.60 0.03 -1.14 0.00 0.00 176.83 176.11 1u40 h ARG 74 N 0.00 0.00 -0.10 3.45 3.08 -1.97 -0.12 114.38 118.72 1u40 h ARG 74 Ca 0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1u40 h ARG 74 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1u40 h ARG 74 CO -0.00 0.60 0.02 0.93 -1.07 0.00 0.00 179.97 180.45 1u40 h GLU 75 N 0.00 0.16 -0.73 0.04 5.08 -0.81 -0.05 114.58 118.27 1u40 h GLU 75 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1u40 h GLU 75 Cb 1.15 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1u40 h GLU 75 CO 0.08 0.36 0.37 -0.07 -1.00 0.00 0.00 179.01 178.75 1u40 h LEU 76 N -0.07 0.94 -0.25 1.33 3.38 -1.36 -2.19 115.31 117.08 1u40 h LEU 76 Ca 0.03 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1u40 h LEU 76 Cb 0.28 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1u40 h LEU 76 CO 0.00 0.79 0.07 0.25 0.09 0.00 0.00 178.44 179.64 1u40 h LEU 77 N 1.01 0.06 -1.21 1.67 5.85 -0.77 -1.04 115.31 120.89 1u40 h LEU 77 Ca 0.25 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1u40 h LEU 77 Cb 0.09 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1u40 h LEU 77 CO -0.04 0.07 0.23 0.03 -0.34 0.00 0.00 178.44 178.39 1u40 h ARG 78 N 0.18 0.78 0.22 1.25 3.08 -0.69 -0.79 114.38 118.42 1u40 h ARG 78 Ca 0.11 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1u40 h ARG 78 Cb 0.09 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1u40 h ARG 78 CO -0.13 0.63 -0.11 1.49 -1.07 0.00 0.00 179.97 180.79 1u40 h GLU 79 N 0.77 -0.29 -0.97 0.04 4.57 -1.07 0.46 114.58 118.09 1u40 h GLU 79 Ca 0.19 0.02 0.19 0.00 -1.18 0.00 0.00 59.36 58.58 1u40 h GLU 79 Cb 0.14 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 1u40 h GLU 79 CO -0.02 0.08 0.61 0.00 -1.18 0.00 0.00 179.01 178.50 1u40 h ALA 80 N -0.15 1.89 -0.25 2.92 0.00 -1.07 0.26 119.26 122.86 1u40 h ALA 80 Ca -0.03 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1u40 h ALA 80 Cb 0.50 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1u40 h ALA 80 CO 0.05 -0.22 -0.51 2.35 0.00 0.00 0.00 179.25 180.92 1u40 h TRP 81 N 0.63 0.87 -0.06 0.00 -0.00 -0.97 -0.39 115.95 116.03 1u40 h TRP 81 Ca 0.54 -0.30 -0.00 0.00 -0.00 0.00 0.00 58.89 59.13 1u40 h TRP 81 Cb 1.00 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.16 29.99 1u40 h TRP 81 CO -0.00 1.07 0.03 -0.09 -0.00 0.00 0.00 178.44 179.45 1u40 h ARG 82 N 0.55 0.09 -0.90 2.65 2.43 0.17 0.10 114.38 119.46 1u40 h ARG 82 Ca 0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1u40 h ARG 82 Cb 1.07 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.56 1u40 h ARG 82 CO 0.10 0.15 0.54 0.00 -1.51 0.00 0.00 179.97 179.26 1u40 h ARG 83 N 0.01 1.22 -0.39 0.20 3.08 -0.73 -1.21 114.38 116.57 1u40 h ARG 83 Ca 0.02 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1u40 h ARG 83 Cb 0.08 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 1u40 h ARG 83 CO -0.00 0.86 0.10 0.82 -1.07 0.00 0.00 179.97 180.67 1u40 h ILE 84 N 1.24 1.23 -0.67 2.04 2.04 -0.63 -2.05 117.51 120.72 1u40 h ILE 84 Ca 0.32 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.36 1u40 h ILE 84 Cb -0.05 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1u40 h ILE 84 CO -0.06 0.27 0.21 1.56 0.00 0.00 0.00 178.15 180.13 1u40 h GLN 85 N 0.48 1.02 -0.68 2.37 4.20 -0.58 -2.05 115.11 119.87 1u40 h GLN 85 Ca 0.12 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1u40 h GLN 85 Cb 0.30 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1u40 h GLN 85 CO 0.00 0.87 0.40 0.00 -0.67 0.00 0.00 178.83 179.44 1u40 h ALA 86 N 1.24 1.44 0.00 3.87 0.00 -0.97 0.22 119.26 125.06 1u40 h ALA 86 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1u40 h ALA 86 Cb 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1u40 h ALA 86 CO -0.01 0.49 0.00 1.17 0.00 0.00 0.00 179.25 180.90 1u40 n LYS 87 N -4.40 0.52 -0.17 0.00 4.81 -0.79 -4.82 118.16 113.31 1u40 n LYS 87 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1u40 n LYS 87 Cb 0.07 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1u40 n LYS 87 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u40 n GLY 88 N 0.04 0.91 3.95 3.14 0.00 0.77 -5.09 105.19 108.90 1u40 n GLY 88 Ca 0.10 -0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1u40 n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1u40 s TYR 89 N -2.00 3.47 0.05 1.61 1.51 -1.12 -5.01 117.35 115.87 1u40 s TYR 89 Ca 0.00 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.37 1u40 s TYR 89 Cb 0.00 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1u40 s TYR 89 CO 0.00 0.14 -0.10 0.95 -1.11 0.00 0.00 175.55 175.42 1u40 s THR 90 N -2.28 0.78 0.18 -0.71 -4.23 -1.12 -4.31 115.64 103.94 1u40 s THR 90 Ca 0.40 -1.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.45 1u40 s THR 90 Cb -0.10 -0.80 -0.08 0.00 1.34 0.00 0.00 72.50 72.87 1u40 s THR 90 CO 0.35 -0.30 1.25 -0.22 -0.54 0.00 0.00 174.62 175.16 1u40 s LEU 91 N -1.61 4.43 -0.08 4.79 2.96 -1.26 -0.10 118.68 127.81 1u40 s LEU 91 Ca -0.06 2.29 -0.06 0.00 -0.22 0.00 0.00 54.13 56.07 1u40 s LEU 91 Cb -0.10 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1u40 s LEU 91 CO 0.01 -0.45 -0.12 0.61 -1.32 0.00 0.00 176.35 175.08 1u40 n GLY 92 N 2.38 -0.66 0.00 7.98 0.00 0.22 -4.75 105.19 110.37 1u40 n GLY 92 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1u40 n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u40 n ASN 93 N -3.44 0.00 -4.22 1.61 0.23 -0.91 -4.88 115.26 103.66 1u40 n ASN 93 Ca -0.05 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.84 1u40 n ASN 93 Cb 0.18 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.77 1u40 n ASN 93 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1u40 s VAL 94 N -2.00 1.18 -0.04 3.53 -7.23 -0.53 -0.75 120.40 114.56 1u40 s VAL 94 Ca 0.00 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1u40 s VAL 94 Cb 0.00 -1.46 0.03 0.00 0.56 0.00 0.00 36.38 35.52 1u40 s VAL 94 CO 0.00 -0.47 0.08 -0.62 -0.31 0.00 0.00 175.10 173.79 1u40 s ASP 95 N -2.44 0.27 0.01 4.85 3.68 -0.44 -2.27 116.67 120.35 1u40 s ASP 95 Ca 0.07 0.15 0.06 0.00 2.13 0.00 0.00 52.55 54.97 1u40 s ASP 95 Cb -0.04 0.03 -0.03 0.00 -1.45 0.00 0.00 42.92 41.43 1u40 s ASP 95 CO 0.02 -0.17 -0.16 -0.69 0.13 0.00 0.00 175.17 174.30 1u40 s VAL 96 N 1.43 2.92 -0.23 1.11 1.01 -0.44 -0.99 120.40 125.21 1u40 s VAL 96 Ca -0.05 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 1u40 s VAL 96 Cb -0.12 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.11 1u40 s VAL 96 CO -0.04 0.41 0.02 -0.89 0.00 0.00 0.00 175.10 174.59 1u40 s THR 97 N -0.88 0.98 -0.15 3.92 2.01 0.45 -1.23 115.64 120.74 1u40 s THR 97 Ca 0.14 -0.99 -0.22 0.00 0.31 0.00 0.00 61.69 60.93 1u40 s THR 97 Cb -0.11 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1u40 s THR 97 CO 0.04 -0.27 0.68 -0.63 -0.69 0.00 0.00 174.62 173.75 1u40 s ILE 98 N 1.63 5.01 -0.43 1.82 1.01 0.06 -0.78 121.20 129.52 1u40 s ILE 98 Ca -0.00 1.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.89 1u40 s ILE 98 Cb -0.18 -4.00 0.10 0.00 0.01 0.00 0.00 42.46 38.39 1u40 s ILE 98 CO -0.11 0.14 0.27 -0.63 0.00 0.00 0.00 174.94 174.62 1u40 s ILE 99 N 1.59 4.03 -0.15 2.92 1.01 -0.16 -0.45 121.20 129.98 1u40 s ILE 99 Ca 0.33 -1.63 -0.15 0.00 0.00 0.00 0.00 60.65 59.20 1u40 s ILE 99 Cb -0.16 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.78 1u40 s ILE 99 CO 0.13 -0.61 0.42 0.00 0.00 0.00 0.00 174.94 174.88 1u40 s ALA 100 N 1.35 -1.04 0.17 9.38 0.00 0.61 -1.82 121.76 130.42 1u40 s ALA 100 Ca 0.04 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.18 1u40 s ALA 100 Cb -0.24 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.26 1u40 s ALA 100 CO 0.00 -0.20 1.41 0.37 0.00 0.00 0.00 175.76 177.33 1u40 h GLN 101 N 5.39 0.23 -1.88 0.00 5.75 -1.79 -3.28 115.11 119.52 1u40 h GLN 101 Ca -0.27 -0.23 0.14 0.00 -0.15 0.00 0.00 58.65 58.15 1u40 h GLN 101 Cb 1.18 0.06 -0.18 0.00 1.07 0.00 0.00 27.48 29.61 1u40 h GLN 101 CO 0.25 0.93 0.60 0.00 -2.65 0.00 0.00 178.83 177.96 1u40 s ALA 102 N -3.32 -1.92 1.16 3.38 0.00 -1.26 -4.86 121.76 114.94 1u40 s ALA 102 Ca -0.03 1.32 -0.18 0.00 0.00 0.00 0.00 51.96 53.06 1u40 s ALA 102 Cb 0.10 -0.02 0.27 0.00 0.00 0.00 0.00 23.12 23.47 1u40 s ALA 102 CO 0.83 -0.57 1.13 -1.25 0.00 0.00 0.00 175.76 175.90 1u40 s PRO 103 N -2.44 -0.86 -0.45 0.00 0.04 -1.26 -5.01 135.00 125.02 1u40 s PRO 103 Ca 0.05 -0.05 -0.29 0.00 0.04 0.00 0.00 61.00 60.75 1u40 s PRO 103 Cb -0.01 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.91 1u40 s PRO 103 CO -0.06 -3.48 1.31 0.21 0.04 0.00 0.00 177.00 175.03 1u40 s LYS 104 N -5.42 3.61 0.17 4.56 2.47 -1.26 -4.88 119.74 118.98 1u40 s LYS 104 Ca 0.71 0.77 0.07 0.00 -1.56 0.00 0.00 55.97 55.95 1u40 s LYS 104 Cb -0.10 -3.99 -0.03 0.00 -1.46 0.00 0.00 37.83 32.25 1u40 s LYS 104 CO 0.56 -1.53 1.38 0.52 0.16 0.00 0.00 175.35 176.43 1u40 h MET 105 N 10.21 0.03 -0.84 4.03 2.86 -1.98 -3.39 114.93 125.85 1u40 h MET 105 Ca -0.26 -0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.43 1u40 h MET 105 Cb 1.09 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 32.65 1u40 h MET 105 CO 1.11 0.90 -0.43 -0.11 1.06 0.00 0.00 176.91 179.44 1u40 n LEU 106 N -3.52 -0.75 0.24 1.22 7.94 -1.26 -0.53 117.00 120.34 1u40 n LEU 106 Ca -0.01 1.48 0.17 0.00 -1.11 0.00 0.00 56.01 56.53 1u40 n LEU 106 Cb 0.84 -0.25 0.80 0.00 0.53 0.00 0.00 43.42 45.34 1u40 n LEU 106 CO 0.46 -1.25 0.99 1.55 -1.11 0.00 0.00 177.39 178.02 1u40 h PRO 107 N 0.00 0.00 -0.00 1.96 0.13 -2.02 -2.81 132.00 129.25 1u40 h PRO 107 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1u40 h PRO 107 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 1u40 h PRO 107 CO -0.81 0.00 -0.62 0.72 -0.23 0.00 0.00 178.00 177.07 1u40 n HIS 108 N -2.71 0.00 -0.28 1.56 8.25 0.31 -4.47 115.22 117.88 1u40 n HIS 108 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1u40 n HIS 108 Cb 0.15 -0.13 0.06 0.00 1.12 0.00 0.00 29.99 31.19 1u40 n HIS 108 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1u40 h ILE 109 N 0.41 1.24 -0.42 1.59 2.04 -1.38 -0.49 117.51 120.51 1u40 h ILE 109 Ca 0.00 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.22 1u40 h ILE 109 Cb 0.53 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1u40 h ILE 109 CO 0.00 0.29 0.16 -0.65 0.00 0.00 0.00 178.15 177.95 1u40 h PRO 110 N 1.08 0.33 -0.56 2.37 0.11 -1.80 0.18 132.00 133.71 1u40 h PRO 110 Ca 0.26 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.28 1u40 h PRO 110 Cb 0.12 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1u40 h PRO 110 CO -0.03 0.22 0.06 0.37 -0.21 0.00 0.00 178.00 178.41 1u40 h GLN 111 N 0.34 0.91 -0.53 1.05 5.75 -1.81 -1.72 115.11 119.10 1u40 h GLN 111 Ca 0.19 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1u40 h GLN 111 Cb 0.16 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 1u40 h GLN 111 CO -0.18 0.86 0.33 0.52 -2.65 0.00 0.00 178.83 177.71 1u40 h MET 112 N 0.86 0.63 0.00 1.69 2.86 0.02 -1.83 114.93 119.15 1u40 h MET 112 Ca 0.17 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 1u40 h MET 112 Cb 0.42 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1u40 h MET 112 CO 0.01 0.42 -0.23 0.00 1.06 0.00 0.00 176.91 178.17 1u40 h ARG 113 N 0.65 0.00 -0.14 1.72 3.08 -0.15 -1.80 114.38 117.74 1u40 h ARG 113 Ca 0.21 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.17 1u40 h ARG 113 Cb -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1u40 h ARG 113 CO -0.08 0.23 -0.24 0.28 -1.07 0.00 0.00 179.97 179.08 1u40 h VAL 114 N 0.00 1.36 0.29 2.04 2.07 -0.54 -2.08 116.25 119.40 1u40 h VAL 114 Ca -0.00 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1u40 h VAL 114 Cb 0.47 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1u40 h VAL 114 CO 0.03 0.44 -0.14 -0.26 0.02 0.00 0.00 177.57 177.66 1u40 h PHE 115 N 0.02 -0.36 -0.11 1.57 0.05 -1.18 -1.71 116.94 115.22 1u40 h PHE 115 Ca 0.01 -0.01 0.02 0.00 3.82 0.00 0.00 57.97 61.81 1u40 h PHE 115 Cb 0.83 0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.88 1u40 h PHE 115 CO 0.10 -0.15 0.00 0.82 -0.18 0.00 0.00 178.31 178.90 1u40 h ILE 116 N -0.51 0.92 0.00 -0.55 2.04 -1.41 -0.22 117.51 117.79 1u40 h ILE 116 Ca -0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1u40 h ILE 116 Cb 0.38 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1u40 h ILE 116 CO 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 178.15 178.17 1u40 h ALA 117 N 1.09 1.89 0.58 1.87 0.00 -1.38 -0.03 119.26 123.29 1u40 h ALA 117 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1u40 h ALA 117 Cb 0.06 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u40 h ALA 117 CO -0.09 0.07 -0.28 0.93 0.00 0.00 0.00 179.25 179.88 1u40 h GLU 118 N 0.00 -0.75 -0.94 0.00 5.08 -0.51 0.10 114.58 117.56 1u40 h GLU 118 Ca -0.00 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 58.66 1u40 h GLU 118 Cb 0.10 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.46 1u40 h GLU 118 CO 0.01 -0.50 0.65 -0.44 -1.00 0.00 0.00 179.01 177.72 1u40 h ASP 119 N -1.13 0.23 0.46 1.42 3.45 -0.56 0.19 116.42 120.48 1u40 h ASP 119 Ca -0.08 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1u40 h ASP 119 Cb 0.60 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1u40 h ASP 119 CO 0.13 0.07 -0.89 0.18 -1.57 0.00 0.00 179.24 177.17 1u40 n LEU 120 N -4.41 0.63 -2.76 1.55 4.77 -0.07 -4.70 117.00 112.00 1u40 n LEU 120 Ca 0.20 -0.03 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 1u40 n LEU 120 Cb 0.87 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.90 1u40 n LEU 120 CO 0.34 0.06 0.14 0.61 -1.33 0.00 0.00 177.39 177.20 1u40 n GLY 121 N 1.40 -0.14 2.12 -0.72 0.00 0.68 -4.96 105.19 103.56 1u40 n GLY 121 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1u40 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u40 s HIS 123 N -2.45 3.51 0.58 0.00 3.76 -1.26 -4.63 115.29 114.81 1u40 s HIS 123 Ca 0.11 0.77 0.28 0.00 -0.15 0.00 0.00 55.06 56.06 1u40 s HIS 123 Cb 0.01 -2.23 1.74 0.00 1.11 0.00 0.00 32.58 33.20 1u40 s HIS 123 CO 0.08 -0.07 2.23 0.52 -0.85 0.00 0.00 174.74 176.65 1u40 h MET 124 N 0.93 0.00 0.00 1.40 0.00 -1.91 -1.24 114.93 114.11 1u40 h MET 124 Ca -0.48 0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.22 1u40 h MET 124 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 32.80 1u40 h MET 124 CO 0.63 0.00 -0.00 0.22 0.00 0.00 0.00 176.91 177.76 1u40 h ASP 125 N 0.00 0.00 -0.41 1.22 -0.00 -1.96 0.17 116.42 115.44 1u40 h ASP 125 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.04 1u40 h ASP 125 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 1u40 h ASP 125 CO -0.00 0.00 0.00 0.47 -0.00 0.00 0.00 179.24 179.71 1u40 n ASP 126 N -3.49 2.59 -3.90 2.28 10.43 -0.47 -4.82 116.55 119.18 1u40 n ASP 126 Ca -0.03 -1.94 -0.24 0.00 2.57 0.00 0.00 54.79 55.16 1u40 n ASP 126 Cb 0.09 -0.27 -0.17 0.00 1.84 0.00 0.00 41.12 42.60 1u40 n ASP 126 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1u40 s VAL 127 N -1.45 0.81 0.03 2.53 1.01 0.58 -1.45 120.40 122.45 1u40 s VAL 127 Ca 0.34 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.17 1u40 s VAL 127 Cb 0.18 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1u40 s VAL 127 CO 0.25 0.31 -0.16 0.21 0.00 0.00 0.00 175.10 175.71 1u40 s ASN 128 N 1.35 1.89 -0.00 3.32 2.47 -0.96 -4.91 114.94 118.10 1u40 s ASN 128 Ca -0.03 -0.42 0.01 0.00 0.42 0.00 0.00 52.86 52.84 1u40 s ASN 128 Cb -0.14 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.51 1u40 s ASN 128 CO -0.03 0.11 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.74 1u40 s VAL 129 N -0.69 0.21 0.23 -5.21 1.01 -1.26 -1.32 120.40 113.37 1u40 s VAL 129 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 1u40 s VAL 129 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1u40 s VAL 129 CO 0.01 0.07 0.23 -1.59 0.00 0.00 0.00 175.10 173.82 1u40 s LYS 130 N 0.05 1.37 0.05 2.72 -2.85 -0.36 -4.94 119.74 115.78 1u40 s LYS 130 Ca -0.00 -1.62 -0.01 0.00 -1.00 0.00 0.00 55.97 53.34 1u40 s LYS 130 Cb -0.02 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1u40 s LYS 130 CO -0.00 -0.49 -0.03 0.00 0.10 0.00 0.00 175.35 174.92 1u40 s ALA 131 N -3.98 0.55 0.02 0.59 0.00 -1.26 -0.76 121.76 116.92 1u40 s ALA 131 Ca 0.36 -1.22 -0.26 0.00 0.00 0.00 0.00 51.96 50.84 1u40 s ALA 131 Cb 0.05 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.49 1u40 s ALA 131 CO 0.14 -0.36 0.60 -0.08 0.00 0.00 0.00 175.76 176.06 1u40 s THR 132 N -3.88 0.01 0.38 0.00 -1.32 0.40 -4.89 115.64 106.34 1u40 s THR 132 Ca 0.07 -0.09 0.08 0.00 -1.21 0.00 0.00 61.69 60.53 1u40 s THR 132 Cb 0.08 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 70.08 1u40 s THR 132 CO -0.10 -0.05 0.40 0.42 -2.21 0.00 0.00 174.62 173.08 1u40 s THR 133 N -2.04 3.13 -0.34 5.08 -4.23 -1.24 -0.28 115.64 115.72 1u40 s THR 133 Ca -0.07 -1.25 0.08 0.00 -1.18 0.00 0.00 61.69 59.26 1u40 s THR 133 Cb -0.01 -3.10 0.57 0.00 1.34 0.00 0.00 72.50 71.30 1u40 s THR 133 CO 0.02 -0.07 1.61 0.35 -0.54 0.00 0.00 174.62 175.99 1u40 n THR 134 N -1.56 2.76 -3.84 3.99 -2.24 -1.26 -4.90 114.28 107.22 1u40 n THR 134 Ca 0.02 -2.44 -0.29 0.00 -2.27 0.00 0.00 64.05 59.07 1u40 n THR 134 Cb 0.60 -0.36 0.01 0.00 -2.10 0.00 0.00 70.33 68.48 1u40 n THR 134 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1u40 n GLU 135 N -1.08 -2.38 -0.68 -0.78 -0.58 -1.26 -1.08 120.64 112.80 1u40 n GLU 135 Ca 0.41 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 1u40 n GLU 135 Cb 1.24 -4.28 0.00 0.00 -0.57 0.00 0.00 31.44 27.82 1u40 n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u40 n LYS 136 N -4.35 -0.28 -3.52 3.49 4.76 -1.26 -4.97 118.16 112.04 1u40 n LYS 136 Ca -0.21 0.07 -0.34 0.00 -2.87 0.00 0.00 58.31 54.96 1u40 n LYS 136 Cb 0.64 -4.16 -0.05 0.00 -1.84 0.00 0.00 35.03 29.62 1u40 n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u40 s LEU 137 N 0.00 4.31 0.00 -0.35 1.43 -0.24 -4.03 118.68 119.80 1u40 s LEU 137 Ca 0.00 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1u40 s LEU 137 Cb 0.00 -3.17 0.00 0.00 0.03 0.00 0.00 46.19 43.05 1u40 s LEU 137 CO 0.00 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1u40 n GLY 138 N 0.66 -2.24 0.25 -3.19 0.00 -1.26 -0.89 105.19 98.52 1u40 n GLY 138 Ca -0.06 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.55 1u40 n GLY 138 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1u40 h PHE 139 N -0.11 0.00 0.01 1.61 -5.15 -1.95 0.39 116.94 111.75 1u40 h PHE 139 Ca 0.00 0.00 -0.07 0.00 -0.20 0.00 0.00 57.97 57.70 1u40 h PHE 139 Cb 0.10 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.28 1u40 h PHE 139 CO 0.00 0.10 -0.30 1.79 -2.00 0.00 0.00 178.31 177.91 1u40 h THR 140 N 0.00 1.56 0.00 0.88 1.35 -1.76 0.49 112.91 115.43 1u40 h THR 140 Ca -0.00 -2.05 -0.01 0.00 -0.55 0.00 0.00 66.41 63.80 1u40 h THR 140 Cb 0.21 2.86 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1u40 h THR 140 CO 0.01 0.56 -0.03 1.23 -0.25 0.00 0.00 175.52 177.04 1u40 h GLY 141 N -0.52 0.00 -0.33 5.82 0.00 -0.02 0.44 103.07 108.47 1u40 h GLY 141 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1u40 h GLY 141 CO 0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.14 1u40 n ARG 142 N -4.44 1.54 -1.45 4.80 1.74 0.13 -4.33 116.66 114.66 1u40 n ARG 142 Ca -0.03 -0.80 -0.09 0.00 -0.77 0.00 0.00 57.85 56.16 1u40 n ARG 142 Cb 0.12 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1u40 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u40 n GLY 143 N 1.10 0.84 0.14 -0.13 0.00 0.15 -4.90 105.19 102.38 1u40 n GLY 143 Ca 0.18 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1u40 n GLY 143 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u40 h GLU 144 N 0.00 0.00 0.00 1.61 5.08 -0.22 -3.45 114.58 117.60 1u40 h GLU 144 Ca -0.19 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.43 1u40 h GLU 144 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1u40 h GLU 144 CO 0.26 0.53 0.73 0.41 -1.00 0.00 0.00 179.01 179.95 1u40 n GLY 145 N 1.11 0.39 3.33 -3.84 0.00 -1.16 -1.91 105.19 103.11 1u40 n GLY 145 Ca 0.02 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1u40 n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u40 s ILE 146 N -2.05 2.05 0.25 -0.61 1.01 -0.47 -4.34 121.20 117.04 1u40 s ILE 146 Ca 0.25 -1.47 0.07 0.00 0.00 0.00 0.00 60.65 59.51 1u40 s ILE 146 Cb -0.01 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 40.62 1u40 s ILE 146 CO 0.01 0.23 -0.08 0.00 0.00 0.00 0.00 174.94 175.11 1u40 s ALA 147 N -0.90 2.22 -0.22 9.38 0.00 -0.76 -1.47 121.76 130.01 1u40 s ALA 147 Ca 0.11 -1.82 -0.24 0.00 0.00 0.00 0.00 51.96 50.00 1u40 s ALA 147 Cb -0.10 0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.22 1u40 s ALA 147 CO 0.03 -0.04 0.67 0.00 0.00 0.00 0.00 175.76 176.41 1u40 s GLU 149 N 0.11 1.58 -0.02 0.00 2.02 0.04 -1.31 118.70 121.12 1u40 s GLU 149 Ca -0.02 -1.70 -0.30 0.00 0.02 0.00 0.00 54.97 52.97 1u40 s GLU 149 Cb -0.04 -1.62 0.07 0.00 0.10 0.00 0.00 34.13 32.64 1u40 s GLU 149 CO 0.02 0.30 0.68 0.00 0.02 0.00 0.00 175.26 176.28 1u40 s ALA 150 N -2.54 -1.75 0.09 5.21 0.00 -0.91 -0.41 121.76 121.45 1u40 s ALA 150 Ca 0.27 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1u40 s ALA 150 Cb -0.04 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1u40 s ALA 150 CO 0.13 -0.43 -0.10 0.14 0.00 0.00 0.00 175.76 175.50 1u40 s VAL 151 N -1.56 0.93 0.01 0.00 -7.23 -0.16 -1.41 120.40 110.99 1u40 s VAL 151 Ca -0.09 -1.56 -0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1u40 s VAL 151 Cb -0.00 -1.27 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 1u40 s VAL 151 CO 0.07 -0.50 0.13 0.00 -0.31 0.00 0.00 175.10 174.48 1u40 s ALA 152 N -2.22 -0.28 -0.13 1.32 0.00 -0.86 -1.32 121.76 118.26 1u40 s ALA 152 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1u40 s ALA 152 Cb -0.04 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.25 1u40 s ALA 152 CO 0.00 -0.24 -0.12 -1.17 0.00 0.00 0.00 175.76 174.24 1u40 s LEU 153 N -1.57 1.52 0.22 0.00 0.20 0.07 -0.71 118.68 118.42 1u40 s LEU 153 Ca -0.13 -0.41 0.07 0.00 0.69 0.00 0.00 54.13 54.35 1u40 s LEU 153 Cb -0.06 -1.04 -0.04 0.00 -0.43 0.00 0.00 46.19 44.62 1u40 s LEU 153 CO 0.00 -0.06 0.12 -0.76 -0.29 0.00 0.00 176.35 175.35 1u40 s LEU 154 N 1.47 3.62 0.00 -0.68 1.43 0.11 0.73 118.68 125.36 1u40 s LEU 154 Ca 0.03 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1u40 s LEU 154 Cb -0.13 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.93 1u40 s LEU 154 CO -0.08 0.01 0.63 -0.38 0.23 0.00 0.00 176.35 176.77