#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nuc s HIS 8 N 0.00 2.69 0.27 -1.77 5.65 -1.26 -5.09 115.29 115.78 1nuc s HIS 8 Ca 0.00 -0.18 -0.11 0.00 0.25 0.00 0.00 55.06 55.02 1nuc s HIS 8 Cb 0.00 -1.63 -0.08 0.00 -1.18 0.00 0.00 32.58 29.70 1nuc s HIS 8 CO 0.00 0.17 0.62 0.15 -0.65 0.00 0.00 174.74 175.03 1nuc s LYS 9 N -0.71 3.86 0.05 2.88 1.02 -1.26 -4.33 119.74 121.25 1nuc s LYS 9 Ca 0.11 0.41 0.01 0.00 0.02 0.00 0.00 55.97 56.51 1nuc s LYS 9 Cb -0.11 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 1nuc s LYS 9 CO 0.00 0.25 -0.05 -1.21 -0.92 0.00 0.00 175.35 173.42 1nuc s GLU 10 N -2.93 0.53 0.52 1.68 2.02 0.01 -4.96 118.70 115.57 1nuc s GLU 10 Ca 0.50 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 54.39 1nuc s GLU 10 Cb -0.11 -0.03 -0.07 0.00 0.10 0.00 0.00 34.13 34.02 1nuc s GLU 10 CO 0.20 -0.03 1.01 -2.14 0.02 0.00 0.00 175.26 174.33 1nuc s PRO 11 N -2.48 3.77 0.16 0.39 0.02 -1.26 0.38 135.00 135.97 1nuc s PRO 11 Ca -0.04 1.14 -0.16 0.00 0.02 0.00 0.00 61.00 61.96 1nuc s PRO 11 Cb -0.03 -2.10 0.03 0.00 0.02 0.00 0.00 34.50 32.42 1nuc s PRO 11 CO -0.03 -0.43 0.45 0.00 -0.33 0.00 0.00 177.00 176.65 1nuc s ALA 12 N -2.36 -0.88 -0.10 -1.55 0.00 -0.86 -4.67 121.76 111.35 1nuc s ALA 12 Ca 0.63 -0.17 0.03 0.00 0.00 0.00 0.00 51.96 52.44 1nuc s ALA 12 Cb -0.13 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.78 1nuc s ALA 12 CO 0.28 -0.71 -0.18 0.99 0.00 0.00 0.00 175.76 176.13 1nuc s THR 13 N -3.84 1.65 0.18 0.00 2.01 -0.64 -4.20 115.64 110.79 1nuc s THR 13 Ca 0.07 -0.76 -0.32 0.00 0.31 0.00 0.00 61.69 60.99 1nuc s THR 13 Cb 0.01 -1.46 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 1nuc s THR 13 CO -0.07 0.47 1.59 -0.22 -0.69 0.00 0.00 174.62 175.69 1nuc s LEU 14 N 0.64 4.37 -0.21 4.42 0.20 -1.26 -0.46 118.68 126.38 1nuc s LEU 14 Ca -0.14 2.67 -0.12 0.00 0.69 0.00 0.00 54.13 57.23 1nuc s LEU 14 Cb -0.16 -3.60 -0.09 0.00 -0.43 0.00 0.00 46.19 41.91 1nuc s LEU 14 CO 0.04 -0.85 -0.29 -0.38 -0.29 0.00 0.00 176.35 174.58 1nuc n ILE 15 N 3.84 1.28 -3.64 6.68 5.41 0.40 -4.83 119.36 128.49 1nuc n ILE 15 Ca 0.14 -0.21 -0.03 0.00 1.00 0.00 0.00 62.75 63.64 1nuc n ILE 15 Cb 0.38 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 37.35 1nuc n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1nuc s LYS 16 N -2.48 0.35 0.11 0.38 2.20 -0.77 -4.99 119.74 114.54 1nuc s LYS 16 Ca -0.30 0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 1nuc s LYS 16 Cb 0.10 0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 36.47 1nuc s LYS 16 CO 0.39 -0.06 0.97 0.00 -0.36 0.00 0.00 175.35 176.29 1nuc s ALA 17 N 0.97 3.25 -0.28 3.13 0.00 -1.26 0.10 121.76 127.68 1nuc s ALA 17 Ca -0.05 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 1nuc s ALA 17 Cb -0.04 -3.29 -0.12 0.00 0.00 0.00 0.00 23.12 19.67 1nuc s ALA 17 CO -0.13 -0.05 -0.35 -0.89 0.00 0.00 0.00 175.76 174.35 1nuc n ILE 18 N 2.82 1.53 -2.54 0.00 5.41 -0.68 -4.92 119.36 120.98 1nuc n ILE 18 Ca 0.03 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.39 1nuc n ILE 18 Cb 0.49 -1.88 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 1nuc n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1nuc n ASP 19 N -4.24 0.00 -0.35 4.38 5.75 -0.81 -5.00 116.55 116.27 1nuc n ASP 19 Ca -0.54 -0.52 0.11 0.00 -0.01 0.00 0.00 54.79 53.82 1nuc n ASP 19 Cb 0.89 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 41.27 1nuc n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1nuc h GLY 20 N 0.00 1.69 -0.03 6.12 0.00 -1.82 -3.15 103.07 105.88 1nuc h GLY 20 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1nuc h GLY 20 CO 0.00 0.03 -0.02 2.09 0.00 0.00 0.00 176.54 178.65 1nuc n ASP 21 N -4.69 1.86 -3.87 0.19 5.68 -1.26 -4.75 116.55 109.70 1nuc n ASP 21 Ca 0.21 -2.19 -0.15 0.00 -0.50 0.00 0.00 54.79 52.16 1nuc n ASP 21 Cb 0.49 -0.11 -0.15 0.00 -1.14 0.00 0.00 41.12 40.20 1nuc n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1nuc s THR 22 N -1.35 0.20 0.08 2.12 2.01 -1.19 -1.18 115.64 116.33 1nuc s THR 22 Ca 0.08 -0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1nuc s THR 22 Cb 0.07 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.34 1nuc s THR 22 CO 0.01 0.10 0.18 0.00 -0.69 0.00 0.00 174.62 174.22 1nuc s LYS 24 N -3.55 3.77 0.13 0.00 1.02 0.12 0.25 119.74 121.47 1nuc s LYS 24 Ca 0.03 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.61 1nuc s LYS 24 Cb 0.04 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 1nuc s LYS 24 CO -0.09 0.21 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.93 1nuc s LEU 25 N 0.48 2.46 -0.33 3.17 1.43 0.69 -0.46 118.68 126.12 1nuc s LEU 25 Ca -0.01 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1nuc s LEU 25 Cb -0.14 -0.40 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 1nuc s LEU 25 CO 0.02 -0.25 0.37 -0.32 0.23 0.00 0.00 176.35 176.40 1nuc s MET 26 N -3.16 3.64 -0.11 1.70 -2.45 0.39 -0.22 119.30 119.10 1nuc s MET 26 Ca 0.11 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.24 1nuc s MET 26 Cb -0.01 -3.78 0.02 0.00 1.25 0.00 0.00 34.83 32.31 1nuc s MET 26 CO 0.01 -0.49 -0.13 -0.47 1.05 0.00 0.00 175.02 174.99 1nuc s TYR 27 N 2.05 1.81 -1.46 4.11 5.04 -0.13 -1.62 117.35 127.16 1nuc s TYR 27 Ca 0.13 -0.86 -0.10 0.00 -2.44 0.00 0.00 57.07 53.79 1nuc s TYR 27 Cb -0.16 -1.35 0.06 0.00 0.35 0.00 0.00 41.96 40.85 1nuc s TYR 27 CO 0.12 -0.48 0.98 1.63 -1.34 0.00 0.00 175.55 176.46 1nuc n LYS 28 N 4.36 -5.94 -1.22 4.97 4.01 -1.26 -0.81 118.16 122.27 1nuc n LYS 28 Ca -0.18 0.65 -0.08 0.00 -0.51 0.00 0.00 58.31 58.19 1nuc n LYS 28 Cb 0.51 -5.53 -0.03 0.00 -0.51 0.00 0.00 35.03 29.47 1nuc n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1nuc n GLY 29 N -1.72 0.91 2.90 0.72 0.00 -1.26 -4.99 105.19 101.75 1nuc n GLY 29 Ca -0.03 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 1nuc n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nuc s GLN 30 N -2.34 1.00 0.19 1.61 0.74 0.01 -5.11 119.66 115.76 1nuc s GLN 30 Ca 0.00 -0.14 -0.31 0.00 0.05 0.00 0.00 55.36 54.96 1nuc s GLN 30 Cb 0.00 -1.01 -0.09 0.00 1.10 0.00 0.00 33.01 33.01 1nuc s GLN 30 CO 0.00 -0.10 1.44 -1.25 -0.55 0.00 0.00 175.29 174.83 1nuc s PRO 31 N 1.05 4.29 0.00 1.67 0.04 -1.26 -0.96 135.00 139.83 1nuc s PRO 31 Ca -0.09 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 1nuc s PRO 31 Cb -0.14 -3.17 0.02 0.00 0.04 0.00 0.00 34.50 31.25 1nuc s PRO 31 CO -0.01 -0.45 0.29 -1.64 0.04 0.00 0.00 177.00 175.24 1nuc s MET 32 N 0.43 0.68 -0.14 4.56 -1.94 0.70 -4.94 119.30 118.65 1nuc s MET 32 Ca 0.63 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 54.20 1nuc s MET 32 Cb -0.40 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 36.69 1nuc s MET 32 CO 0.36 -0.19 0.25 -0.08 -0.01 0.00 0.00 175.02 175.34 1nuc s THR 33 N -1.62 5.33 0.05 2.05 -1.32 -1.26 -0.22 115.64 118.65 1nuc s THR 33 Ca -0.12 0.45 0.04 0.00 -1.21 0.00 0.00 61.69 60.86 1nuc s THR 33 Cb -0.04 -3.57 -0.04 0.00 -1.51 0.00 0.00 72.50 67.34 1nuc s THR 33 CO 0.02 0.47 -0.05 -0.36 -2.21 0.00 0.00 174.62 172.49 1nuc s PHE 34 N -0.03 2.90 -0.10 9.09 0.40 0.14 -0.78 117.98 129.60 1nuc s PHE 34 Ca 0.15 -0.05 0.03 0.00 -0.60 0.00 0.00 56.93 56.46 1nuc s PHE 34 Cb -0.13 -1.56 0.01 0.00 0.51 0.00 0.00 43.02 41.85 1nuc s PHE 34 CO 0.04 0.42 -0.18 0.50 0.70 0.00 0.00 175.22 176.70 1nuc s ARG 35 N -1.86 2.43 0.17 0.44 6.06 -0.12 -1.75 118.95 124.32 1nuc s ARG 35 Ca 0.21 -0.66 -0.31 0.00 -2.50 0.00 0.00 55.73 52.47 1nuc s ARG 35 Cb -0.11 -1.94 -0.10 0.00 0.06 0.00 0.00 34.95 32.86 1nuc s ARG 35 CO 0.12 0.05 1.51 -0.51 -2.50 0.00 0.00 175.30 173.97 1nuc s LEU 36 N 0.65 4.37 0.54 -0.88 1.43 -0.32 -3.23 118.68 121.25 1nuc s LEU 36 Ca -0.13 2.56 -0.19 0.00 -1.03 0.00 0.00 54.13 55.33 1nuc s LEU 36 Cb -0.16 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.40 1nuc s LEU 36 CO 0.04 -0.77 1.10 -0.76 0.23 0.00 0.00 176.35 176.19 1nuc s LEU 37 N 0.92 3.73 0.00 1.79 1.43 -0.18 -3.95 118.68 122.42 1nuc s LEU 37 Ca 0.67 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 1nuc s LEU 37 Cb -0.42 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.23 1nuc s LEU 37 CO 0.33 -1.15 0.00 0.18 0.23 0.00 0.00 176.35 175.94 1nuc n LEU 38 N -1.36 0.99 -4.19 1.79 4.77 -1.26 -4.94 117.00 112.80 1nuc n LEU 38 Ca 0.11 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1nuc n LEU 38 Cb 0.51 -2.44 -0.10 0.00 -2.33 0.00 0.00 43.42 39.06 1nuc n LEU 38 CO 0.42 -0.97 -0.29 0.68 -1.33 0.00 0.00 177.39 175.90 1nuc s VAL 39 N -1.01 0.23 -0.18 4.08 -7.23 -1.20 -0.54 120.40 114.54 1nuc s VAL 39 Ca 0.00 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1nuc s VAL 39 Cb 0.00 -2.19 0.09 0.00 0.56 0.00 0.00 36.38 34.83 1nuc s VAL 39 CO 0.00 -0.34 0.22 -0.62 -0.31 0.00 0.00 175.10 174.05 1nuc s ASP 40 N -3.11 1.16 0.33 4.85 2.15 -0.50 -4.64 116.67 116.90 1nuc s ASP 40 Ca 0.28 -0.06 -0.07 0.00 0.43 0.00 0.00 52.55 53.13 1nuc s ASP 40 Cb 0.07 0.43 -0.06 0.00 -0.30 0.00 0.00 42.92 43.06 1nuc s ASP 40 CO 0.05 -0.31 0.63 0.42 -0.17 0.00 0.00 175.17 175.79 1nuc s THR 41 N 2.34 4.93 0.53 1.71 -4.23 -1.26 -2.38 115.64 117.28 1nuc s THR 41 Ca 0.06 0.27 -0.22 0.00 -1.18 0.00 0.00 61.69 60.62 1nuc s THR 41 Cb -0.15 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 1nuc s THR 41 CO -0.11 -0.39 1.35 -2.84 -0.54 0.00 0.00 174.62 172.10 1nuc s PRO 42 N -3.64 3.24 0.45 3.99 0.02 -1.26 -4.90 135.00 132.90 1nuc s PRO 42 Ca 0.47 2.23 -0.24 0.00 0.02 0.00 0.00 61.00 63.48 1nuc s PRO 42 Cb -0.11 -2.31 -0.08 0.00 0.02 0.00 0.00 34.50 32.03 1nuc s PRO 42 CO 0.30 -1.11 1.19 -2.00 -0.33 0.00 0.00 177.00 175.05 1nuc s GLU 43 N -2.84 3.81 0.00 5.54 2.56 -1.26 -4.47 118.70 122.04 1nuc s GLU 43 Ca 0.70 1.85 0.00 0.00 0.00 0.00 0.00 54.97 57.51 1nuc s GLU 43 Cb -0.40 -2.49 0.00 0.00 2.00 0.00 0.00 34.13 33.24 1nuc s GLU 43 CO 0.48 -0.53 0.00 0.25 -0.56 0.00 0.00 175.26 174.90 1nuc n THR 44 N -0.33 0.00 0.00 -1.70 -2.24 -1.25 -0.32 114.28 108.43 1nuc n THR 44 Ca 0.06 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 1nuc n THR 44 Cb 0.47 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1nuc n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1nuc n LYS 45 N -0.05 0.00 -1.69 -0.78 3.00 -1.26 -4.62 118.16 112.76 1nuc n LYS 45 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 58.31 57.78 1nuc n LYS 45 Cb 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 35.03 34.75 1nuc n LYS 45 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1nuc n HIS 46 N -1.95 2.16 0.26 5.64 -0.00 -1.26 -4.79 115.22 115.27 1nuc n HIS 46 Ca 0.00 0.28 0.09 0.00 0.46 0.00 0.00 57.72 58.55 1nuc n HIS 46 Cb 0.00 -2.56 0.66 0.00 -0.12 0.00 0.00 29.99 27.97 1nuc n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1nuc h PRO 47 N 8.40 0.00 0.00 1.57 0.11 -1.94 0.16 132.00 140.30 1nuc h PRO 47 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nuc h PRO 47 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1nuc h PRO 47 CO 0.96 0.05 0.00 -0.22 -0.21 0.00 0.00 178.00 178.58 1nuc h LYS 48 N 0.00 0.00 0.00 1.05 3.64 -2.04 -3.19 116.57 116.03 1nuc h LYS 48 Ca -0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1nuc h LYS 48 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1nuc h LYS 48 CO 0.01 0.00 -1.25 1.63 -2.27 0.00 0.00 179.45 177.57 1nuc n LYS 49 N -2.88 0.10 0.00 1.90 5.02 -0.67 -5.15 118.16 116.47 1nuc n LYS 49 Ca -0.02 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1nuc n LYS 49 Cb 0.09 -0.86 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1nuc n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nuc n GLY 50 N 2.99 -1.91 3.50 0.72 0.00 0.48 -4.71 105.19 106.25 1nuc n GLY 50 Ca -0.08 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1nuc n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nuc s VAL 51 N -0.03 4.17 0.42 1.61 1.01 -1.26 -3.87 120.40 122.45 1nuc s VAL 51 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 1nuc s VAL 51 Cb 0.00 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.58 1nuc s VAL 51 CO 0.00 -1.47 1.02 -1.61 0.00 0.00 0.00 175.10 173.05 1nuc s GLU 52 N 4.51 4.10 0.17 2.72 2.02 0.56 -4.97 118.70 127.81 1nuc s GLU 52 Ca 0.29 1.40 -0.33 0.00 0.02 0.00 0.00 54.97 56.34 1nuc s GLU 52 Cb -0.13 -2.38 -0.14 0.00 0.10 0.00 0.00 34.13 31.58 1nuc s GLU 52 CO 0.14 -0.18 1.48 1.17 0.02 0.00 0.00 175.26 177.89 1nuc n LYS 53 N -0.36 1.93 -0.50 1.61 3.00 -1.26 -0.92 118.16 121.66 1nuc n LYS 53 Ca 0.06 0.69 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 1nuc n LYS 53 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 33.14 1nuc n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1nuc n TYR 54 N 2.78 0.00 0.36 5.64 4.01 -1.26 -4.83 117.16 123.87 1nuc n TYR 54 Ca 0.16 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.72 1nuc n TYR 54 Cb 0.28 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.22 1nuc n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1nuc h GLY 55 N 0.00 -0.93 0.73 2.72 0.00 -1.25 0.27 103.07 104.61 1nuc h GLY 55 Ca 0.00 0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.77 1nuc h GLY 55 CO 0.00 -0.34 0.57 -2.55 0.00 0.00 0.00 176.54 174.23 1nuc h PRO 56 N -0.89 0.85 -0.28 4.80 0.11 -1.87 -1.02 132.00 133.70 1nuc h PRO 56 Ca -0.09 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 1nuc h PRO 56 Cb 0.68 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1nuc h PRO 56 CO 0.14 0.56 0.04 0.93 -0.21 0.00 0.00 178.00 179.47 1nuc h GLU 57 N 0.88 0.46 -0.79 1.05 3.07 -1.90 -1.69 114.58 115.66 1nuc h GLU 57 Ca 0.41 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 59.11 1nuc h GLU 57 Cb 0.41 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.23 1nuc h GLU 57 CO -0.17 0.58 0.37 0.00 -1.40 0.00 0.00 179.01 178.38 1nuc h ALA 58 N 0.87 1.15 -0.42 3.43 0.00 -0.10 -0.85 119.26 123.34 1nuc h ALA 58 Ca 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1nuc h ALA 58 Cb 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1nuc h ALA 58 CO 0.01 0.63 0.11 0.77 0.00 0.00 0.00 179.25 180.77 1nuc h SER 59 N 1.13 0.63 -0.79 0.00 0.02 -1.10 -2.07 113.55 111.38 1nuc h SER 59 Ca 0.27 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1nuc h SER 59 Cb 0.13 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1nuc h SER 59 CO -0.03 0.69 0.39 0.00 -1.14 0.00 0.00 176.83 176.74 1nuc h ALA 60 N 0.97 1.01 0.30 3.77 0.00 -0.86 0.07 119.26 124.51 1nuc h ALA 60 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1nuc h ALA 60 Cb 0.30 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nuc h ALA 60 CO -0.00 0.56 -0.14 0.35 0.00 0.00 0.00 179.25 180.02 1nuc h PHE 61 N 1.11 -0.37 -0.35 0.00 3.04 -1.02 -0.74 116.94 118.60 1nuc h PHE 61 Ca 0.27 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.23 1nuc h PHE 61 Cb 0.10 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.71 1nuc h PHE 61 CO 0.01 -0.18 0.20 1.15 -2.02 0.00 0.00 178.31 177.47 1nuc h THR 62 N -0.47 1.03 -0.01 4.41 2.02 -1.20 -0.71 112.91 117.98 1nuc h THR 62 Ca -0.04 -0.14 0.03 0.00 0.77 0.00 0.00 66.41 67.02 1nuc h THR 62 Cb 0.35 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1nuc h THR 62 CO 0.07 0.08 -0.15 0.50 0.37 0.00 0.00 175.52 176.39 1nuc h LYS 63 N 0.42 -0.23 -0.14 6.66 3.64 -0.89 -0.47 116.57 125.56 1nuc h LYS 63 Ca 0.14 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1nuc h LYS 63 Cb 0.01 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1nuc h LYS 63 CO -0.07 -0.15 -0.07 -0.22 -2.27 0.00 0.00 179.45 176.67 1nuc h LYS 64 N -0.24 -0.05 -0.35 1.90 1.63 -0.88 -0.36 116.57 118.22 1nuc h LYS 64 Ca 0.05 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1nuc h LYS 64 Cb 0.31 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 1nuc h LYS 64 CO -0.15 -0.03 0.14 1.98 -3.45 0.00 0.00 179.45 177.93 1nuc h MET 65 N -0.05 0.29 0.05 1.90 4.05 -0.69 -1.99 114.93 118.48 1nuc h MET 65 Ca 0.08 -0.02 -0.23 0.00 -0.28 0.00 0.00 59.70 59.25 1nuc h MET 65 Cb 0.17 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 1nuc h MET 65 CO -0.18 0.19 -1.04 -0.39 0.23 0.00 0.00 176.91 175.72 1nuc h VAL 66 N 0.30 1.58 -0.04 -5.77 -1.51 -0.91 -3.27 116.25 106.62 1nuc h VAL 66 Ca 0.16 -3.05 -0.14 0.00 -1.23 0.00 0.00 66.70 62.44 1nuc h VAL 66 Cb 0.11 2.76 -0.01 0.00 -2.13 0.00 0.00 31.29 32.02 1nuc h VAL 66 CO -0.14 0.88 -0.60 -0.33 -1.23 0.00 0.00 177.57 176.15 1nuc h GLU 67 N 0.06 0.15 -0.01 5.19 5.08 -0.91 -3.12 114.58 121.01 1nuc h GLU 67 Ca -0.06 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1nuc h GLU 67 Cb 1.76 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1nuc h GLU 67 CO 0.16 0.70 -0.00 0.09 -1.00 0.00 0.00 179.01 178.95 1nuc n ASN 68 N -3.86 1.20 -4.79 1.42 5.03 -0.76 -4.94 115.26 108.55 1nuc n ASN 68 Ca -0.02 -1.39 -0.36 0.00 0.87 0.00 0.00 54.58 53.68 1nuc n ASN 68 Cb 0.61 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 39.30 1nuc n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nuc s ALA 69 N -2.01 3.15 0.04 5.41 0.00 -1.18 -4.96 121.76 122.22 1nuc s ALA 69 Ca 0.40 0.52 -0.17 0.00 0.00 0.00 0.00 51.96 52.70 1nuc s ALA 69 Cb 0.21 -3.19 -0.19 0.00 0.00 0.00 0.00 23.12 19.95 1nuc s ALA 69 CO 0.34 0.11 1.21 0.87 0.00 0.00 0.00 175.76 178.29 1nuc h LYS 70 N 2.76 0.54 -3.51 0.00 1.57 -1.92 -3.46 116.57 112.54 1nuc h LYS 70 Ca -0.48 -0.47 -0.18 0.00 -1.87 0.00 0.00 60.65 57.65 1nuc h LYS 70 Cb 1.19 0.11 -0.25 0.00 0.08 0.00 0.00 32.23 33.36 1nuc h LYS 70 CO 0.64 1.10 -0.57 -1.59 -0.57 0.00 0.00 179.45 178.45 1nuc s LYS 71 N -3.57 0.23 -0.06 3.15 -2.85 -1.26 -5.05 119.74 110.33 1nuc s LYS 71 Ca -0.12 -0.03 0.03 0.00 -1.00 0.00 0.00 55.97 54.85 1nuc s LYS 71 Cb 0.06 0.10 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 1nuc s LYS 71 CO 0.84 -0.04 -0.16 0.42 0.10 0.00 0.00 175.35 176.51 1nuc s ILE 72 N -0.40 2.88 0.05 3.79 1.01 -1.26 -0.87 121.20 126.41 1nuc s ILE 72 Ca -0.05 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1nuc s ILE 72 Cb -0.03 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1nuc s ILE 72 CO 0.00 0.57 -0.13 -1.61 0.00 0.00 0.00 174.94 173.78 1nuc s GLU 73 N -0.45 0.84 -0.01 2.79 2.02 -0.64 -2.03 118.70 121.22 1nuc s GLU 73 Ca 0.05 -0.82 0.07 0.00 0.02 0.00 0.00 54.97 54.29 1nuc s GLU 73 Cb -0.12 -0.83 -0.02 0.00 0.10 0.00 0.00 34.13 33.26 1nuc s GLU 73 CO 0.02 0.19 -0.22 0.14 0.02 0.00 0.00 175.26 175.41 1nuc s VAL 74 N -1.04 2.40 -0.19 2.63 -7.23 0.16 -0.81 120.40 116.32 1nuc s VAL 74 Ca -0.01 -1.05 -0.01 0.00 -1.81 0.00 0.00 61.98 59.11 1nuc s VAL 74 Cb -0.09 -1.89 0.05 0.00 0.56 0.00 0.00 36.38 35.01 1nuc s VAL 74 CO 0.02 0.54 -0.02 -0.70 -0.31 0.00 0.00 175.10 174.62 1nuc s GLU 75 N -0.79 1.17 0.57 4.82 2.12 -0.18 -0.81 118.70 125.61 1nuc s GLU 75 Ca 0.11 -0.57 -0.13 0.00 0.36 0.00 0.00 54.97 54.74 1nuc s GLU 75 Cb -0.10 -2.13 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 1nuc s GLU 75 CO 0.00 -0.54 1.00 -0.06 -0.54 0.00 0.00 175.26 175.12 1nuc s PHE 76 N 1.67 3.56 0.00 5.30 0.08 -1.26 -0.94 117.98 126.39 1nuc s PHE 76 Ca -0.01 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1nuc s PHE 76 Cb -0.17 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.56 1nuc s PHE 76 CO -0.07 -0.55 0.00 -3.47 -0.10 0.00 0.00 175.22 171.03 1nuc n ASP 77 N -2.28 0.00 -0.07 1.36 -0.08 -1.26 -4.70 116.55 109.51 1nuc n ASP 77 Ca 0.06 -0.11 0.12 0.00 -1.51 0.00 0.00 54.79 53.34 1nuc n ASP 77 Cb 0.54 0.00 0.19 0.00 2.34 0.00 0.00 41.12 44.19 1nuc n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1nuc n LYS 78 N -0.11 0.23 0.00 -0.67 2.85 -1.26 -4.92 118.16 114.27 1nuc n LYS 78 Ca 0.00 -0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.11 1nuc n LYS 78 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 1nuc n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1nuc n GLY 79 N 1.47 1.58 3.76 2.58 0.00 -1.26 -4.97 105.19 108.35 1nuc n GLY 79 Ca 0.07 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 1nuc n GLY 79 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nuc s GLN 80 N 2.83 3.20 0.00 1.61 -2.07 -1.26 -4.95 119.66 119.02 1nuc s GLN 80 Ca 0.00 1.90 0.23 0.00 -1.82 0.00 0.00 55.36 55.67 1nuc s GLN 80 Cb 0.00 -2.11 0.19 0.00 -1.09 0.00 0.00 33.01 30.00 1nuc s GLN 80 CO 0.00 -1.04 1.21 0.54 -1.32 0.00 0.00 175.29 174.67 1nuc n ARG 81 N -1.21 0.71 -4.10 9.60 1.74 -1.26 -4.84 116.66 117.31 1nuc n ARG 81 Ca 0.11 -0.54 -0.08 0.00 -0.77 0.00 0.00 57.85 56.57 1nuc n ARG 81 Cb 0.48 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 1nuc n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1nuc s THR 82 N -2.66 0.33 0.55 0.55 -4.23 -1.26 -0.36 115.64 108.56 1nuc s THR 82 Ca 0.17 -1.73 0.08 0.00 -1.18 0.00 0.00 61.69 59.03 1nuc s THR 82 Cb 0.18 -1.41 0.09 0.00 1.34 0.00 0.00 72.50 72.70 1nuc s THR 82 CO 0.64 -0.90 0.76 -0.90 -0.54 0.00 0.00 174.62 173.67 1nuc n ASP 83 N 0.25 1.92 0.27 3.99 5.68 -0.68 -4.86 116.55 123.12 1nuc n ASP 83 Ca -0.15 -2.41 0.18 0.00 -0.50 0.00 0.00 54.79 51.91 1nuc n ASP 83 Cb 0.60 -0.41 0.92 0.00 -1.14 0.00 0.00 41.12 41.10 1nuc n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1nuc h LYS 84 N 0.00 0.00 -0.05 0.11 2.10 -2.02 0.22 116.57 116.93 1nuc h LYS 84 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 1nuc h LYS 84 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1nuc h LYS 84 CO 0.36 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.47 1nuc n TYR 85 N -3.58 0.05 -0.99 0.07 4.01 -1.26 -4.93 117.16 110.54 1nuc n TYR 85 Ca -0.01 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1nuc n TYR 85 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1nuc n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1nuc n GLY 86 N 1.14 0.48 3.76 2.72 0.00 0.78 -5.03 105.19 109.04 1nuc n GLY 86 Ca 0.19 -0.26 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1nuc n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nuc s ARG 87 N -0.47 4.65 0.28 1.61 0.52 -1.26 -4.78 118.95 119.49 1nuc s ARG 87 Ca 0.00 1.26 -0.29 0.00 -0.52 0.00 0.00 55.73 56.18 1nuc s ARG 87 Cb 0.00 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.08 1nuc s ARG 87 CO 0.00 0.50 1.38 0.20 0.02 0.00 0.00 175.30 177.39 1nuc s GLY 88 N -0.94 2.60 -0.34 -3.53 0.00 0.04 -1.69 107.32 103.47 1nuc s GLY 88 Ca 0.38 1.29 -0.08 0.00 0.00 0.00 0.00 44.72 46.31 1nuc s GLY 88 CO 0.28 2.12 0.13 1.08 0.00 0.00 0.00 173.10 176.71 1nuc s LEU 89 N -0.91 4.31 0.32 0.66 1.43 0.51 -0.94 118.68 124.06 1nuc s LEU 89 Ca 0.55 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1nuc s LEU 89 Cb -0.41 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 43.91 1nuc s LEU 89 CO 0.47 -0.30 0.62 0.00 0.23 0.00 0.00 176.35 177.36 1nuc s ALA 90 N 1.49 -0.31 -0.25 4.21 0.00 -1.20 -4.41 121.76 121.29 1nuc s ALA 90 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 1nuc s ALA 90 Cb -0.19 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1nuc s ALA 90 CO 0.04 -0.91 0.14 0.71 0.00 0.00 0.00 175.76 175.74 1nuc s TYR 91 N -3.20 3.23 -0.13 0.00 2.02 -0.11 -1.01 117.35 118.15 1nuc s TYR 91 Ca 0.20 0.05 -0.05 0.00 -0.37 0.00 0.00 57.07 56.90 1nuc s TYR 91 Cb -0.03 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 1nuc s TYR 91 CO 0.12 -0.09 0.05 0.42 -1.57 0.00 0.00 175.55 174.49 1nuc s ILE 92 N 1.33 4.70 -0.09 2.71 1.01 -1.26 -1.01 121.20 128.59 1nuc s ILE 92 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.66 1nuc s ILE 92 Cb -0.15 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 1nuc s ILE 92 CO 0.06 0.56 -0.19 -0.31 0.00 0.00 0.00 174.94 175.06 1nuc s TYR 93 N -0.44 2.64 -0.31 3.97 1.51 0.01 -0.35 117.35 124.39 1nuc s TYR 93 Ca 0.09 -0.67 -0.00 0.00 -1.01 0.00 0.00 57.07 55.48 1nuc s TYR 93 Cb -0.12 -1.72 0.06 0.00 -0.11 0.00 0.00 41.96 40.08 1nuc s TYR 93 CO 0.02 -0.19 -0.00 0.00 -1.11 0.00 0.00 175.55 174.27 1nuc s ALA 94 N 0.04 2.80 -1.34 3.71 0.00 0.12 -1.62 121.76 125.47 1nuc s ALA 94 Ca -0.07 -1.91 -0.04 0.00 0.00 0.00 0.00 51.96 49.94 1nuc s ALA 94 Cb -0.15 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1nuc s ALA 94 CO 0.05 -1.35 0.87 -0.25 0.00 0.00 0.00 175.76 175.08 1nuc n ASP 95 N 4.54 -2.61 0.00 0.00 8.00 -0.05 -1.63 116.55 124.80 1nuc n ASP 95 Ca -0.11 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1nuc n ASP 95 Cb 0.43 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1nuc n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nuc n GLY 96 N -1.56 0.80 3.53 0.44 0.00 -1.26 -4.99 105.19 102.14 1nuc n GLY 96 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 1nuc n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nuc s LYS 97 N -0.20 3.79 -0.12 1.61 1.02 -0.64 -5.05 119.74 120.14 1nuc s LYS 97 Ca 0.00 -0.43 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 1nuc s LYS 97 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1nuc s LYS 97 CO 0.00 0.02 1.55 1.41 -0.92 0.00 0.00 175.35 177.40 1nuc s MET 98 N 1.07 4.11 0.21 1.68 1.75 -1.26 -0.70 119.30 126.15 1nuc s MET 98 Ca 0.04 1.94 -0.08 0.00 -1.25 0.00 0.00 55.69 56.34 1nuc s MET 98 Cb -0.14 -3.94 0.15 0.00 2.84 0.00 0.00 34.83 33.74 1nuc s MET 98 CO 0.03 -0.91 1.78 0.28 -0.65 0.00 0.00 175.02 175.55 1nuc h VAL 99 N 5.68 1.26 -0.26 10.11 2.07 -1.06 -1.79 116.25 132.26 1nuc h VAL 99 Ca -0.35 -0.80 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1nuc h VAL 99 Cb 1.15 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1nuc h VAL 99 CO 0.97 0.33 -0.01 0.78 0.02 0.00 0.00 177.57 179.65 1nuc h ASN 100 N 1.14 -0.14 -0.50 0.57 4.21 -1.91 -1.86 115.58 117.09 1nuc h ASN 100 Ca 0.26 0.06 -0.13 0.00 1.21 0.00 0.00 56.30 57.71 1nuc h ASN 100 Cb 0.20 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 1nuc h ASN 100 CO -0.02 -0.04 -0.17 -0.08 -1.29 0.00 0.00 177.43 175.83 1nuc h GLU 101 N 0.06 1.01 -0.46 0.81 4.22 -1.90 -2.87 114.58 115.45 1nuc h GLU 101 Ca 0.13 -0.41 0.06 0.00 0.08 0.00 0.00 59.36 59.22 1nuc h GLU 101 Cb 0.17 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1nuc h GLU 101 CO -0.23 1.09 0.15 0.00 -2.18 0.00 0.00 179.01 177.85 1nuc h ALA 102 N 0.91 0.55 -0.34 2.92 0.00 -0.92 0.13 119.26 122.51 1nuc h ALA 102 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1nuc h ALA 102 Cb 0.75 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1nuc h ALA 102 CO 0.06 -0.24 0.13 -0.07 0.00 0.00 0.00 179.25 179.13 1nuc h LEU 103 N 0.32 0.47 -0.76 0.00 3.38 -1.28 -2.45 115.31 114.98 1nuc h LEU 103 Ca 0.22 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1nuc h LEU 103 Cb 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1nuc h LEU 103 CO -0.24 0.52 0.30 0.58 0.09 0.00 0.00 178.44 179.69 1nuc h VAL 104 N 0.40 1.26 0.00 1.22 2.07 -1.25 -0.73 116.25 119.21 1nuc h VAL 104 Ca 0.11 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.79 1nuc h VAL 104 Cb 0.20 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1nuc h VAL 104 CO -0.01 0.33 -0.11 -0.09 0.02 0.00 0.00 177.57 177.72 1nuc h ARG 105 N 1.11 0.00 -0.14 1.57 9.65 -0.49 -1.83 114.38 124.25 1nuc h ARG 105 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1nuc h ARG 105 Cb 0.23 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1nuc h ARG 105 CO -0.02 0.11 0.00 1.04 2.80 0.00 0.00 179.97 183.90 1nuc n GLN 106 N -3.99 1.89 -2.32 0.20 1.13 -0.95 -4.40 117.38 108.94 1nuc n GLN 106 Ca -0.02 -1.32 -0.13 0.00 -1.94 0.00 0.00 57.00 53.58 1nuc n GLN 106 Cb 0.20 -1.44 -0.00 0.00 0.11 0.00 0.00 30.24 29.10 1nuc n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nuc n GLY 107 N 1.22 -0.15 0.66 1.08 0.00 -0.69 -4.39 105.19 102.92 1nuc n GLY 107 Ca 0.17 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.94 1nuc n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nuc n LEU 108 N -1.97 2.50 -3.55 0.99 4.77 -0.32 -1.41 117.00 118.01 1nuc n LEU 108 Ca -0.14 -1.26 -0.13 0.00 -0.03 0.00 0.00 56.01 54.44 1nuc n LEU 108 Cb 0.61 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.57 1nuc n LEU 108 CO 0.20 0.51 0.29 0.00 -1.33 0.00 0.00 177.39 177.06 1nuc s ALA 109 N -1.17 -1.35 0.08 -1.18 0.00 -1.20 -4.35 121.76 112.59 1nuc s ALA 109 Ca 0.21 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.80 1nuc s ALA 109 Cb 0.13 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 1nuc s ALA 109 CO 0.19 -0.56 -0.19 0.15 0.00 0.00 0.00 175.76 175.35 1nuc s LYS 110 N -2.74 1.89 0.01 0.00 1.02 -1.00 -4.47 119.74 114.45 1nuc s LYS 110 Ca -0.04 -1.09 -0.30 0.00 0.02 0.00 0.00 55.97 54.56 1nuc s LYS 110 Cb -0.00 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 35.12 1nuc s LYS 110 CO -0.04 0.51 1.51 0.08 -0.92 0.00 0.00 175.35 176.49 1nuc s VAL 111 N -1.01 3.48 0.29 3.17 1.01 -1.26 -1.41 120.40 124.67 1nuc s VAL 111 Ca 0.16 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 1nuc s VAL 111 Cb -0.10 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1nuc s VAL 111 CO 0.07 -0.01 0.53 0.00 0.00 0.00 0.00 175.10 175.69 1nuc s ALA 112 N 2.71 -0.11 -1.29 5.51 0.00 0.29 -4.89 121.76 123.98 1nuc s ALA 112 Ca 0.68 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.62 1nuc s ALA 112 Cb -0.34 1.03 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 1nuc s ALA 112 CO 0.28 -0.87 0.66 0.66 0.00 0.00 0.00 175.76 176.50 1nuc n TYR 113 N -0.45 -1.88 -2.86 0.00 4.01 -1.26 -3.26 117.16 111.46 1nuc n TYR 113 Ca -0.02 0.77 -0.43 0.00 -0.16 0.00 0.00 57.90 58.06 1nuc n TYR 113 Cb 0.61 -4.12 -0.04 0.00 -0.31 0.00 0.00 39.34 35.48 1nuc n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1nuc s VAL 114 N -3.70 4.38 -0.28 -0.72 1.01 -1.26 -4.51 120.40 115.33 1nuc s VAL 114 Ca 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 1nuc s VAL 114 Cb -0.02 -4.60 0.04 0.00 0.00 0.00 0.00 36.38 31.80 1nuc s VAL 114 CO 0.83 -1.27 -0.03 -0.31 0.00 0.00 0.00 175.10 174.32 1nuc s TYR 115 N 3.95 3.20 0.48 5.22 2.02 -1.26 -5.07 117.35 125.89 1nuc s TYR 115 Ca 0.25 -1.82 -0.24 0.00 -0.37 0.00 0.00 57.07 54.89 1nuc s TYR 115 Cb -0.15 -2.07 -0.07 0.00 -0.40 0.00 0.00 41.96 39.27 1nuc s TYR 115 CO 0.14 -0.79 1.41 0.15 -1.57 0.00 0.00 175.55 174.89 1nuc s LYS 116 N 1.26 3.49 -0.04 -0.62 -0.14 -1.26 -0.60 119.74 121.83 1nuc s LYS 116 Ca -0.04 2.37 0.10 0.00 -1.36 0.00 0.00 55.97 57.04 1nuc s LYS 116 Cb -0.19 -2.52 0.37 0.00 -1.68 0.00 0.00 37.83 33.81 1nuc s LYS 116 CO -0.03 -0.96 1.24 -0.35 -0.76 0.00 0.00 175.35 174.50 1nuc n PRO 117 N -0.49 2.26 -1.81 -1.68 -0.04 -1.26 -5.00 135.00 126.97 1nuc n PRO 117 Ca 0.07 -1.46 -0.41 0.00 -0.04 0.00 0.00 63.50 61.66 1nuc n PRO 117 Cb 0.43 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 1nuc n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1nuc n ASN 118 N 0.53 6.83 -1.19 3.54 3.02 0.23 -4.36 115.26 123.85 1nuc n ASN 118 Ca 0.13 -2.91 0.01 0.00 -0.03 0.00 0.00 54.58 51.78 1nuc n ASN 118 Cb 0.46 -1.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1nuc n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1nuc n ASN 119 N 3.57 0.36 -0.27 6.41 6.94 -1.26 -4.42 115.26 126.58 1nuc n ASN 119 Ca 0.60 -1.95 0.08 0.00 -0.02 0.00 0.00 54.58 53.30 1nuc n ASN 119 Cb 0.29 -0.14 0.22 0.00 -2.36 0.00 0.00 39.78 37.80 1nuc n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1nuc h THR 120 N 6.45 0.58 -0.48 5.53 2.02 -1.98 -0.83 112.91 124.21 1nuc h THR 120 Ca -0.26 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1nuc h THR 120 Cb 1.67 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1nuc h THR 120 CO -0.01 0.07 0.00 1.41 0.37 0.00 0.00 175.52 177.37 1nuc n HIS 121 N -5.04 1.50 -0.12 3.16 8.25 -1.26 -4.58 115.22 117.13 1nuc n HIS 121 Ca 0.17 -0.54 -0.06 0.00 -0.26 0.00 0.00 57.72 57.02 1nuc n HIS 121 Cb 0.49 -0.36 0.02 0.00 1.12 0.00 0.00 29.99 31.27 1nuc n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1nuc h GLU 122 N 3.21 0.35 -0.53 -0.41 4.81 -1.53 -1.79 114.58 118.70 1nuc h GLU 122 Ca 0.00 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1nuc h GLU 122 Cb 1.52 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.80 1nuc h GLU 122 CO 0.32 0.23 0.10 1.96 -0.73 0.00 0.00 179.01 180.90 1nuc h GLN 123 N 0.36 0.86 -0.40 1.92 1.08 -1.81 0.17 115.11 117.29 1nuc h GLN 123 Ca 0.17 -0.22 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1nuc h GLN 123 Cb 0.11 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1nuc h GLN 123 CO -0.14 0.84 0.21 1.25 -0.95 0.00 0.00 178.83 180.03 1nuc h HIS 124 N 0.75 0.39 -0.22 2.96 2.76 -1.83 -0.66 115.15 119.30 1nuc h HIS 124 Ca 0.16 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.23 1nuc h HIS 124 Cb 0.38 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1nuc h HIS 124 CO 0.03 0.21 -0.34 -0.07 -1.30 0.00 0.00 177.93 176.45 1nuc h LEU 125 N 0.43 0.48 -0.71 0.26 3.38 -1.16 -2.68 115.31 115.30 1nuc h LEU 125 Ca 0.17 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1nuc h LEU 125 Cb 0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1nuc h LEU 125 CO -0.10 0.79 0.08 0.03 0.09 0.00 0.00 178.44 179.32 1nuc h ARG 126 N 0.39 1.06 -0.20 1.13 3.08 -0.34 -0.75 114.38 118.76 1nuc h ARG 126 Ca 0.04 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1nuc h ARG 126 Cb 0.79 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1nuc h ARG 126 CO 0.06 0.99 -0.30 1.57 -1.07 0.00 0.00 179.97 181.23 1nuc h LYS 127 N 0.99 0.39 -0.18 0.04 5.09 -0.99 -1.72 116.57 120.20 1nuc h LYS 127 Ca 0.19 -0.16 -0.15 0.00 0.09 0.00 0.00 60.65 60.62 1nuc h LYS 127 Cb 0.46 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.77 1nuc h LYS 127 CO 0.02 0.66 -0.53 0.77 -2.09 0.00 0.00 179.45 178.27 1nuc h SER 128 N 0.34 0.58 -0.30 7.07 0.02 -1.14 -2.55 113.55 117.58 1nuc h SER 128 Ca 0.05 -0.30 -0.10 0.00 -0.84 0.00 0.00 61.79 60.59 1nuc h SER 128 Cb 0.71 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1nuc h SER 128 CO 0.05 1.00 -0.18 -0.08 -1.14 0.00 0.00 176.83 176.49 1nuc h GLU 129 N 0.40 0.75 -0.37 3.45 4.81 -0.85 -2.08 114.58 120.69 1nuc h GLU 129 Ca 0.01 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1nuc h GLU 129 Cb 1.06 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1nuc h GLU 129 CO 0.10 0.88 0.05 0.00 -0.73 0.00 0.00 179.01 179.31 1nuc h ALA 130 N 1.13 1.39 -0.13 2.92 0.00 -1.10 -0.89 119.26 122.58 1nuc h ALA 130 Ca 0.10 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1nuc h ALA 130 Cb 0.67 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1nuc h ALA 130 CO 0.05 0.43 -0.29 0.37 0.00 0.00 0.00 179.25 179.81 1nuc h GLN 131 N 0.54 0.43 -0.77 0.00 5.75 -1.16 -1.22 115.11 118.68 1nuc h GLN 131 Ca 0.12 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1nuc h GLN 131 Cb 0.28 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.83 1nuc h GLN 131 CO 0.00 0.90 0.51 0.00 -2.65 0.00 0.00 178.83 177.59 1nuc h ALA 132 N 0.53 0.99 0.10 3.38 0.00 -1.19 0.53 119.26 123.60 1nuc h ALA 132 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nuc h ALA 132 Cb 0.89 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1nuc h ALA 132 CO 0.06 0.37 -0.05 -0.22 0.00 0.00 0.00 179.25 179.42 1nuc h LYS 133 N 1.03 -0.13 -0.18 0.00 3.64 -1.11 -0.07 116.57 119.75 1nuc h LYS 133 Ca 0.29 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 1nuc h LYS 133 Cb -0.09 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1nuc h LYS 133 CO -0.07 -0.07 -0.12 1.57 -2.27 0.00 0.00 179.45 178.49 1nuc h LYS 134 N -0.16 0.28 -0.02 1.90 2.10 -0.84 0.12 116.57 119.95 1nuc h LYS 134 Ca -0.01 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1nuc h LYS 134 Cb 0.13 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1nuc h LYS 134 CO 0.02 0.41 0.00 0.39 -2.00 0.00 0.00 179.45 178.28 1nuc n GLU 135 N -4.26 1.17 -3.88 0.07 1.02 0.14 -4.92 120.64 109.99 1nuc n GLU 135 Ca -0.00 -0.26 -0.25 0.00 -0.02 0.00 0.00 57.16 56.63 1nuc n GLU 135 Cb 0.27 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1nuc n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nuc n LYS 136 N -0.64 -4.14 -2.92 3.49 4.76 0.41 -4.94 118.16 114.18 1nuc n LYS 136 Ca 0.20 0.50 -0.40 0.00 -2.87 0.00 0.00 58.31 55.74 1nuc n LYS 136 Cb 0.16 -4.92 -0.05 0.00 -1.84 0.00 0.00 35.03 28.38 1nuc n LYS 136 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nuc s LEU 137 N -6.93 4.48 0.00 -0.35 1.43 -0.19 -3.60 118.68 113.52 1nuc s LEU 137 Ca 0.14 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 1nuc s LEU 137 Cb -0.07 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1nuc s LEU 137 CO 0.86 0.02 0.00 0.59 0.23 0.00 0.00 176.35 178.04 1nuc n ASN 138 N 2.68 0.00 -0.21 2.29 3.02 -1.26 0.06 115.26 121.82 1nuc n ASN 138 Ca -0.02 0.00 0.23 0.00 -0.03 0.00 0.00 54.58 54.76 1nuc n ASN 138 Cb 0.50 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.27 1nuc n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1nuc h ILE 139 N 0.00 0.62 -0.62 2.41 2.04 -1.54 0.19 117.51 120.62 1nuc h ILE 139 Ca 0.00 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.62 1nuc h ILE 139 Cb 0.00 0.37 -0.09 0.00 -0.74 0.00 0.00 36.82 36.35 1nuc h ILE 139 CO 0.00 0.04 0.20 0.79 0.00 0.00 0.00 178.15 179.18 1nuc n TRP 140 N -4.42 2.08 0.91 1.37 7.02 0.11 -5.13 117.44 119.38 1nuc n TRP 140 Ca 0.19 -0.98 0.11 0.00 -1.02 0.00 0.00 57.50 55.80 1nuc n TRP 140 Cb 0.81 -0.59 0.09 0.00 -2.42 0.00 0.00 31.31 29.20 1nuc n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54