#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dc2 s ILE 10 N 0.00 5.27 0.06 0.52 1.09 -1.26 -3.78 121.20 123.09 2dc2 s ILE 10 Ca 0.00 0.30 0.08 0.00 -1.10 0.00 0.00 60.65 59.93 2dc2 s ILE 10 Cb 0.00 -3.57 -0.03 0.00 -1.06 0.00 0.00 42.46 37.80 2dc2 s ILE 10 CO 0.00 0.42 -0.22 -0.13 -0.10 0.00 0.00 174.94 174.91 2dc2 s ARG 11 N -1.60 1.39 -0.29 2.79 0.52 -0.68 -5.01 118.95 116.09 2dc2 s ARG 11 Ca 0.26 -1.01 -0.02 0.00 -0.52 0.00 0.00 55.73 54.44 2dc2 s ARG 11 Cb -0.14 -1.56 0.04 0.00 0.52 0.00 0.00 34.95 33.82 2dc2 s ARG 11 CO 0.14 0.39 -0.02 0.15 0.02 0.00 0.00 175.30 175.99 2dc2 s LYS 12 N -1.34 2.55 -0.13 3.54 -0.14 -1.26 -2.75 119.74 120.21 2dc2 s LYS 12 Ca 0.08 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.51 2dc2 s LYS 12 Cb -0.09 -3.13 -0.02 0.00 -1.68 0.00 0.00 37.83 32.91 2dc2 s LYS 12 CO 0.02 -0.56 -0.11 0.08 -0.76 0.00 0.00 175.35 174.03 2dc2 s VAL 13 N 1.28 3.26 -0.21 3.17 1.01 -1.00 -5.04 120.40 122.87 2dc2 s VAL 13 Ca -0.04 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2dc2 s VAL 13 Cb -0.19 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 2dc2 s VAL 13 CO -0.02 0.53 0.10 -0.76 0.00 0.00 0.00 175.10 174.95 2dc2 s LEU 14 N 0.21 3.85 -0.01 3.92 1.02 -1.26 -1.90 118.68 124.52 2dc2 s LEU 14 Ca -0.07 0.04 0.07 0.00 0.02 0.00 0.00 54.13 54.19 2dc2 s LEU 14 Cb -0.15 -2.01 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 2dc2 s LEU 14 CO 0.05 0.10 -0.21 -0.22 0.02 0.00 0.00 176.35 176.08 2dc2 s LEU 15 N 0.83 2.36 -0.18 1.79 0.20 -0.06 -4.97 118.68 118.66 2dc2 s LEU 15 Ca 0.05 -0.39 -0.04 0.00 0.69 0.00 0.00 54.13 54.44 2dc2 s LEU 15 Cb -0.13 -1.43 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2dc2 s LEU 15 CO 0.02 0.31 -0.03 -0.76 -0.29 0.00 0.00 176.35 175.61 2dc2 s LEU 16 N -0.85 3.19 -0.25 -0.68 1.43 -1.26 -1.32 118.68 118.94 2dc2 s LEU 16 Ca 0.11 -0.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.94 2dc2 s LEU 16 Cb -0.10 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 2dc2 s LEU 16 CO 0.01 0.11 0.10 -0.75 0.23 0.00 0.00 176.35 176.05 2dc2 s LYS 17 N 0.69 3.77 0.18 1.70 2.36 -1.11 -4.92 119.74 122.42 2dc2 s LYS 17 Ca -0.02 -0.42 0.04 0.00 -2.55 0.00 0.00 55.97 53.02 2dc2 s LYS 17 Cb -0.14 -3.38 -0.03 0.00 -1.05 0.00 0.00 37.83 33.22 2dc2 s LYS 17 CO 0.02 -0.11 0.30 -2.00 1.55 0.00 0.00 175.35 175.11 2dc2 s GLU 18 N 1.45 3.40 0.31 4.03 2.56 -1.26 -4.28 118.70 124.90 2dc2 s GLU 18 Ca 0.06 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.36 2dc2 s GLU 18 Cb -0.15 -2.91 0.52 0.00 2.00 0.00 0.00 34.13 33.58 2dc2 s GLU 18 CO 0.05 0.49 1.93 -0.44 -0.56 0.00 0.00 175.26 176.73 2dc2 h ASP 19 N 1.83 0.90 1.24 -1.70 3.32 -2.00 -1.82 116.42 118.19 2dc2 h ASP 19 Ca -0.50 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 2dc2 h ASP 19 Cb 1.21 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2dc2 h ASP 19 CO 0.66 0.61 -0.78 1.12 -1.72 0.00 0.00 179.24 179.12 2dc2 h HIS 20 N 1.04 0.00 -2.53 4.55 2.07 -2.04 -3.47 115.15 114.77 2dc2 h HIS 20 Ca 0.35 0.00 -0.46 0.00 -2.85 0.00 0.00 60.37 57.41 2dc2 h HIS 20 Cb 0.09 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.16 2dc2 h HIS 20 CO -0.00 0.21 0.14 -1.21 -3.07 0.00 0.00 177.93 174.00 2dc2 s GLU 21 N -3.17 1.65 0.00 5.12 2.02 -0.69 -5.12 118.70 118.51 2dc2 s GLU 21 Ca 0.01 -0.94 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2dc2 s GLU 21 Cb 0.08 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2dc2 s GLU 21 CO 0.76 -1.50 0.00 0.41 0.02 0.00 0.00 175.26 174.95 2dc2 n GLY 22 N -2.92 5.57 0.08 -1.39 0.00 -1.26 -4.52 105.19 100.74 2dc2 n GLY 22 Ca 0.14 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 2dc2 n GLY 22 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dc2 h LEU 23 N 0.00 -0.10 0.00 0.99 5.85 -1.98 -3.45 115.31 116.61 2dc2 h LEU 23 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2dc2 h LEU 23 Cb 0.00 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.06 2dc2 h LEU 23 CO 0.00 0.22 0.00 0.61 -0.34 0.00 0.00 178.44 178.93 2dc2 n GLY 24 N 1.41 0.76 3.14 3.75 0.00 -1.26 -4.48 105.19 108.51 2dc2 n GLY 24 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 2dc2 n GLY 24 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dc2 s ILE 25 N -2.84 0.14 -0.04 -0.61 -4.36 -1.26 -0.26 121.20 111.98 2dc2 s ILE 25 Ca 0.00 -1.89 0.06 0.00 -0.26 0.00 0.00 60.65 58.56 2dc2 s ILE 25 Cb 0.00 -1.93 -0.01 0.00 1.25 0.00 0.00 42.46 41.76 2dc2 s ILE 25 CO 0.00 -0.58 -0.23 -0.55 0.24 0.00 0.00 174.94 173.81 2dc2 s SER 26 N -3.02 2.83 0.15 4.36 0.15 0.19 -4.89 113.70 113.47 2dc2 s SER 26 Ca 0.20 -0.46 0.09 0.00 0.70 0.00 0.00 55.95 56.49 2dc2 s SER 26 Cb 0.08 -0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 63.76 2dc2 s SER 26 CO -0.01 0.25 -0.15 0.27 1.20 0.00 0.00 173.24 174.80 2dc2 s ILE 27 N -0.31 2.94 0.05 6.45 -4.36 -1.26 -2.46 121.20 122.25 2dc2 s ILE 27 Ca 0.02 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 58.81 2dc2 s ILE 27 Cb -0.11 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.17 2dc2 s ILE 27 CO 0.01 -0.00 -0.05 0.42 0.24 0.00 0.00 174.94 175.56 2dc2 s THR 28 N -1.42 0.38 0.00 8.37 -4.23 -0.07 -4.88 115.64 113.79 2dc2 s THR 28 Ca 0.21 -1.30 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2dc2 s THR 28 Cb -0.10 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2dc2 s THR 28 CO 0.12 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2dc2 n GLY 29 N 1.02 0.03 0.00 3.99 0.00 -1.26 -1.12 105.19 107.84 2dc2 n GLY 29 Ca -0.20 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.54 2dc2 n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dc2 n GLY 30 N 0.00 1.18 0.27 -0.02 0.00 -0.95 -4.78 105.19 100.88 2dc2 n GLY 30 Ca 0.00 0.53 0.09 0.00 0.00 0.00 0.00 46.02 46.64 2dc2 n GLY 30 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dc2 h LYS 31 N 0.00 0.00 -0.18 1.61 3.11 -1.71 -1.50 116.57 117.90 2dc2 h LYS 31 Ca 0.00 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.86 2dc2 h LYS 31 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2dc2 h LYS 31 CO 0.00 0.00 0.12 1.49 -2.81 0.00 0.00 179.45 178.25 2dc2 h GLU 32 N 0.00 0.17 0.00 1.90 4.22 -1.87 -1.89 114.58 117.12 2dc2 h GLU 32 Ca 0.01 -0.01 -0.22 0.00 0.08 0.00 0.00 59.36 59.22 2dc2 h GLU 32 Cb 0.06 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 2dc2 h GLU 32 CO -0.00 0.11 -1.39 0.45 -2.18 0.00 0.00 179.01 176.01 2dc2 h HIS 33 N 0.18 0.00 0.00 0.92 3.86 -1.69 -3.48 115.15 114.93 2dc2 h HIS 33 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2dc2 h HIS 33 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 2dc2 h HIS 33 CO -0.00 0.81 0.00 0.41 0.86 0.00 0.00 177.93 180.01 2dc2 n GLY 34 N 1.44 1.43 3.20 2.45 0.00 -0.71 -5.10 105.19 107.90 2dc2 n GLY 34 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2dc2 n GLY 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dc2 s VAL 35 N -2.00 -0.02 0.78 1.61 0.11 -1.08 -5.00 120.40 114.80 2dc2 s VAL 35 Ca 0.00 0.06 -0.12 0.00 -2.93 0.00 0.00 61.98 58.99 2dc2 s VAL 35 Cb 0.00 -0.49 0.06 0.00 -1.53 0.00 0.00 36.38 34.42 2dc2 s VAL 35 CO 0.00 0.03 1.13 -2.16 -3.33 0.00 0.00 175.10 170.77 2dc2 s PRO 36 N 0.82 2.02 -0.00 1.54 0.04 -1.26 -2.24 135.00 135.91 2dc2 s PRO 36 Ca -0.05 1.44 -0.27 0.00 0.04 0.00 0.00 61.00 62.15 2dc2 s PRO 36 Cb -0.06 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2dc2 s PRO 36 CO -0.06 -1.86 0.86 0.42 0.04 0.00 0.00 177.00 176.40 2dc2 s ILE 37 N -2.53 4.87 0.10 0.56 -1.09 -1.26 -4.35 121.20 117.50 2dc2 s ILE 37 Ca 0.67 1.81 0.04 0.00 -2.23 0.00 0.00 60.65 60.93 2dc2 s ILE 37 Cb -0.22 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.42 2dc2 s ILE 37 CO 0.51 0.23 -0.10 -0.76 -1.23 0.00 0.00 174.94 173.59 2dc2 s LEU 38 N 0.70 2.40 -0.23 2.97 1.02 -0.27 -0.80 118.68 124.46 2dc2 s LEU 38 Ca 0.45 -0.80 -0.29 0.00 0.02 0.00 0.00 54.13 53.51 2dc2 s LEU 38 Cb -0.20 -0.31 0.01 0.00 0.02 0.00 0.00 46.19 45.70 2dc2 s LEU 38 CO 0.24 -0.25 1.02 -0.63 0.02 0.00 0.00 176.35 176.75 2dc2 s ILE 39 N -2.38 4.70 -0.14 -0.59 -1.09 0.13 -0.89 121.20 120.93 2dc2 s ILE 39 Ca 0.05 1.98 0.03 0.00 -2.23 0.00 0.00 60.65 60.48 2dc2 s ILE 39 Cb -0.03 -4.29 -0.11 0.00 -1.58 0.00 0.00 42.46 36.45 2dc2 s ILE 39 CO 0.00 -0.16 -0.10 -0.24 -1.23 0.00 0.00 174.94 173.21 2dc2 n SER 40 N 6.25 2.70 -4.26 3.58 2.88 -1.03 -0.48 113.62 123.26 2dc2 n SER 40 Ca 0.11 -0.07 -0.25 0.00 -1.33 0.00 0.00 58.87 57.33 2dc2 n SER 40 Cb 0.46 -0.05 -0.14 0.00 -0.75 0.00 0.00 64.21 63.73 2dc2 n SER 40 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2dc2 s GLU 41 N -2.30 1.35 -0.14 -1.46 8.01 -1.16 -4.70 118.70 118.30 2dc2 s GLU 41 Ca -0.18 -0.99 -0.02 0.00 0.01 0.00 0.00 54.97 53.79 2dc2 s GLU 41 Cb 0.05 -1.50 0.05 0.00 -4.31 0.00 0.00 34.13 28.41 2dc2 s GLU 41 CO 0.37 0.38 0.02 0.42 0.01 0.00 0.00 175.26 176.46 2dc2 s ILE 42 N -0.87 0.44 0.15 -1.63 1.01 -1.26 0.56 121.20 119.59 2dc2 s ILE 42 Ca 0.07 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 2dc2 s ILE 42 Cb -0.09 -0.80 -0.08 0.00 0.01 0.00 0.00 42.46 41.50 2dc2 s ILE 42 CO 0.02 -0.01 1.25 -1.00 0.00 0.00 0.00 174.94 175.20 2dc2 s HIS 43 N 1.92 3.37 0.70 3.97 3.76 0.65 -4.98 115.29 124.67 2dc2 s HIS 43 Ca 0.02 1.28 -0.11 0.00 -0.15 0.00 0.00 55.06 56.10 2dc2 s HIS 43 Cb -0.15 -3.50 0.01 0.00 1.11 0.00 0.00 32.58 30.05 2dc2 s HIS 43 CO -0.07 -1.53 1.07 -1.25 -0.85 0.00 0.00 174.74 172.10 2dc2 s PRO 44 N 0.32 2.84 -1.12 8.40 0.04 -1.26 -4.20 135.00 140.02 2dc2 s PRO 44 Ca 0.57 1.03 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 2dc2 s PRO 44 Cb -0.33 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.23 2dc2 s PRO 44 CO 0.34 -1.18 0.94 0.41 0.04 0.00 0.00 177.00 177.55 2dc2 n GLY 45 N -1.71 -0.35 3.49 0.56 0.00 -1.26 -5.02 105.19 100.90 2dc2 n GLY 45 Ca 0.08 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 2dc2 n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dc2 s GLN 46 N -5.24 1.74 0.43 1.61 1.11 -1.26 -5.03 119.66 113.02 2dc2 s GLN 46 Ca 0.02 -1.60 0.22 0.00 0.01 0.00 0.00 55.36 54.01 2dc2 s GLN 46 Cb -0.00 0.43 1.19 0.00 -1.01 0.00 0.00 33.01 33.62 2dc2 s GLN 46 CO 0.69 -0.71 1.81 -1.35 0.01 0.00 0.00 175.29 175.74 2dc2 h PRO 47 N 2.20 0.30 -0.40 2.91 0.11 -1.88 -0.35 132.00 134.89 2dc2 h PRO 47 Ca -0.29 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.82 2dc2 h PRO 47 Cb 1.24 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2dc2 h PRO 47 CO 0.39 0.20 0.25 0.00 -0.21 0.00 0.00 178.00 178.64 2dc2 h ALA 48 N 1.58 0.51 -0.29 -0.75 0.00 -1.87 -2.22 119.26 116.22 2dc2 h ALA 48 Ca 0.54 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.29 2dc2 h ALA 48 Cb 1.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2dc2 h ALA 48 CO -0.20 -0.06 -0.41 0.22 0.00 0.00 0.00 179.25 178.80 2dc2 h ASP 49 N 0.52 0.75 -0.44 0.00 1.82 -1.37 -2.78 116.42 114.92 2dc2 h ASP 49 Ca 0.15 -0.35 0.06 0.00 -0.39 0.00 0.00 57.03 56.51 2dc2 h ASP 49 Cb -0.03 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.74 2dc2 h ASP 49 CO -0.05 1.07 0.30 0.03 -1.61 0.00 0.00 179.24 178.98 2dc2 h ARG 50 N 0.58 0.33 0.00 0.28 2.47 -0.93 -1.61 114.38 115.50 2dc2 h ARG 50 Ca 0.04 -0.02 -0.19 0.00 -1.26 0.00 0.00 59.98 58.55 2dc2 h ARG 50 Cb 0.95 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 29.17 2dc2 h ARG 50 CO 0.09 0.22 -1.04 0.00 0.56 0.00 0.00 179.97 179.80 2dc2 n GLY 52 N 1.36 0.77 0.06 0.00 0.00 -0.61 -4.82 105.19 101.96 2dc2 n GLY 52 Ca -0.03 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 2dc2 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dc2 n GLY 53 N -0.57 -0.42 3.55 -0.02 0.00 -1.26 -4.91 105.19 101.56 2dc2 n GLY 53 Ca -0.07 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2dc2 n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dc2 s LEU 54 N -5.18 3.33 0.22 0.99 1.43 -1.26 -4.95 118.68 113.26 2dc2 s LEU 54 Ca -0.10 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.68 2dc2 s LEU 54 Cb 0.04 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 2dc2 s LEU 54 CO 0.41 -2.44 -0.04 -1.38 0.23 0.00 0.00 176.35 173.13 2dc2 s HIS 55 N 9.64 2.69 0.22 0.29 -3.43 -1.26 -4.89 115.29 118.55 2dc2 s HIS 55 Ca 0.75 -0.21 -0.31 0.00 -0.80 0.00 0.00 55.06 54.50 2dc2 s HIS 55 Cb -0.14 -1.25 -0.10 0.00 -1.43 0.00 0.00 32.58 29.65 2dc2 s HIS 55 CO 0.23 0.57 1.53 0.08 -2.00 0.00 0.00 174.74 175.14 2dc2 s VAL 56 N -2.01 2.52 0.00 -5.38 1.01 -1.26 -3.57 120.40 111.71 2dc2 s VAL 56 Ca 0.28 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2dc2 s VAL 56 Cb -0.08 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2dc2 s VAL 56 CO 0.18 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.94 2dc2 n GLY 57 N 2.85 0.49 3.45 4.51 0.00 0.37 -4.99 105.19 111.87 2dc2 n GLY 57 Ca 0.10 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2dc2 n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dc2 s ASP 58 N -2.37 4.72 -0.25 1.61 -1.08 -1.16 -2.93 116.67 115.22 2dc2 s ASP 58 Ca 0.00 -0.20 -0.18 0.00 -0.52 0.00 0.00 52.55 51.65 2dc2 s ASP 58 Cb 0.00 -1.79 -0.03 0.00 -1.46 0.00 0.00 42.92 39.64 2dc2 s ASP 58 CO 0.00 0.10 0.54 0.00 0.52 0.00 0.00 175.17 176.33 2dc2 s ALA 59 N 0.75 3.58 0.39 3.66 0.00 -0.17 0.17 121.76 130.15 2dc2 s ALA 59 Ca -0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 51.96 51.22 2dc2 s ALA 59 Cb -0.14 -2.90 -0.10 0.00 0.00 0.00 0.00 23.12 19.97 2dc2 s ALA 59 CO 0.02 -0.68 0.91 0.42 0.00 0.00 0.00 175.76 176.43 2dc2 s ILE 60 N 2.19 4.42 0.12 0.00 1.01 0.02 0.19 121.20 129.14 2dc2 s ILE 60 Ca 0.23 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.32 2dc2 s ILE 60 Cb -0.16 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2dc2 s ILE 60 CO 0.09 -0.23 0.00 0.18 0.00 0.00 0.00 174.94 174.98 2dc2 n LEU 61 N -0.41 0.07 -3.80 2.97 4.77 -0.58 -4.60 117.00 115.42 2dc2 n LEU 61 Ca 0.06 0.20 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2dc2 n LEU 61 Cb 0.53 0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.67 2dc2 n LEU 61 CO 0.39 -0.58 -0.03 0.00 -1.33 0.00 0.00 177.39 175.84 2dc2 s ALA 62 N -2.00 -0.41 -0.06 -1.18 0.00 -1.16 -2.73 121.76 114.22 2dc2 s ALA 62 Ca 0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 2dc2 s ALA 62 Cb 0.00 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.68 2dc2 s ALA 62 CO 0.00 -0.54 0.02 0.08 0.00 0.00 0.00 175.76 175.32 2dc2 s VAL 63 N -3.81 0.20 -1.46 0.00 1.01 -0.93 -0.45 120.40 114.96 2dc2 s VAL 63 Ca 0.04 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 2dc2 s VAL 63 Cb 0.04 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 36.07 2dc2 s VAL 63 CO -0.11 0.23 0.68 0.59 0.00 0.00 0.00 175.10 176.49 2dc2 n ASN 64 N 5.17 -5.34 -0.10 3.32 3.02 0.19 -0.77 115.26 120.75 2dc2 n ASN 64 Ca -0.06 -0.40 -0.01 0.00 -0.03 0.00 0.00 54.58 54.07 2dc2 n ASN 64 Cb 0.50 -4.31 -0.01 0.00 -0.61 0.00 0.00 39.78 35.35 2dc2 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dc2 n GLY 65 N -1.50 0.50 3.80 7.41 0.00 -1.26 -5.02 105.19 109.11 2dc2 n GLY 65 Ca -0.05 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.27 2dc2 n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dc2 s VAL 66 N -1.94 5.40 0.02 1.61 1.01 0.05 -5.06 120.40 121.49 2dc2 s VAL 66 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2dc2 s VAL 66 Cb 0.00 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2dc2 s VAL 66 CO 0.00 0.51 1.32 0.21 0.00 0.00 0.00 175.10 177.14 2dc2 s ASN 67 N -0.30 6.93 -0.01 3.32 3.84 -1.26 -2.20 114.94 125.26 2dc2 s ASN 67 Ca 0.14 2.07 0.09 0.00 0.21 0.00 0.00 52.86 55.36 2dc2 s ASN 67 Cb -0.12 -2.57 -0.12 0.00 -0.55 0.00 0.00 41.25 37.89 2dc2 s ASN 67 CO 0.03 -0.63 0.22 -0.11 -2.79 0.00 0.00 177.10 173.82 2dc2 n LEU 68 N 4.84 0.08 0.09 3.21 0.00 -1.10 -4.51 117.00 119.61 2dc2 n LEU 68 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 56.01 56.06 2dc2 n LEU 68 Cb 0.44 0.00 0.46 0.00 0.00 0.00 0.00 43.42 44.32 2dc2 n LEU 68 CO 0.57 0.02 1.05 -0.09 0.00 0.00 0.00 177.39 178.95 2dc2 h ARG 69 N 0.00 0.33 -0.69 1.96 9.65 -1.91 -1.62 114.38 122.10 2dc2 h ARG 69 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2dc2 h ARG 69 Cb 0.35 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 2dc2 h ARG 69 CO 0.00 0.29 0.00 -0.25 2.80 0.00 0.00 179.97 182.81 2dc2 n ASP 70 N -4.42 4.12 -4.74 -3.80 8.00 -1.26 -4.95 116.55 109.50 2dc2 n ASP 70 Ca 0.01 -2.17 -0.23 0.00 0.71 0.00 0.00 54.79 53.11 2dc2 n ASP 70 Cb 0.13 -0.51 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2dc2 n ASP 70 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dc2 s THR 71 N -1.36 3.64 0.35 -3.53 2.01 -0.61 -5.13 115.64 111.00 2dc2 s THR 71 Ca 0.48 -1.67 0.02 0.00 0.31 0.00 0.00 61.69 60.83 2dc2 s THR 71 Cb 0.28 -3.07 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2dc2 s THR 71 CO 0.29 -0.30 0.53 -0.54 -0.69 0.00 0.00 174.62 173.90 2dc2 s LYS 72 N -3.79 3.37 0.14 4.92 -0.14 -1.26 -4.42 119.74 118.55 2dc2 s LYS 72 Ca 0.34 -0.50 -0.21 0.00 -1.36 0.00 0.00 55.97 54.24 2dc2 s LYS 72 Cb -0.06 -2.70 -0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2dc2 s LYS 72 CO 0.23 0.11 1.67 1.25 -0.76 0.00 0.00 175.35 177.85 2dc2 h HIS 73 N 0.77 -0.36 -0.72 3.18 2.76 -1.92 0.43 115.15 119.30 2dc2 h HIS 73 Ca -0.49 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.67 2dc2 h HIS 73 Cb 1.23 0.19 -0.03 0.00 1.55 0.00 0.00 27.41 30.34 2dc2 h HIS 73 CO 0.48 -0.21 0.31 -0.22 -1.30 0.00 0.00 177.93 176.99 2dc2 h LYS 74 N -0.15 1.07 -0.56 5.26 3.64 -1.95 -2.65 116.57 121.23 2dc2 h LYS 74 Ca 0.11 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 2dc2 h LYS 74 Cb 0.31 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 2dc2 h LYS 74 CO -0.27 0.87 0.06 0.93 -2.27 0.00 0.00 179.45 178.76 2dc2 h GLU 75 N 1.03 0.92 -0.06 1.90 5.08 -1.79 -2.63 114.58 119.02 2dc2 h GLU 75 Ca 0.24 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2dc2 h GLU 75 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2dc2 h GLU 75 CO -0.02 0.88 -0.15 0.00 -1.00 0.00 0.00 179.01 178.71 2dc2 h ALA 76 N 1.19 1.63 -0.74 3.43 0.00 0.17 -2.52 119.26 122.42 2dc2 h ALA 76 Ca 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2dc2 h ALA 76 Cb 0.43 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2dc2 h ALA 76 CO 0.01 0.27 0.40 0.28 0.00 0.00 0.00 179.25 180.21 2dc2 h VAL 77 N 0.09 1.23 -0.30 0.00 2.07 -1.14 -0.28 116.25 117.92 2dc2 h VAL 77 Ca 0.02 -0.58 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 2dc2 h VAL 77 Cb 0.33 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2dc2 h VAL 77 CO 0.02 0.25 -0.43 0.74 0.02 0.00 0.00 177.57 178.18 2dc2 h THR 78 N 1.02 1.29 -0.15 2.57 2.02 -1.48 -2.45 112.91 115.72 2dc2 h THR 78 Ca 0.26 -1.61 -0.03 0.00 0.77 0.00 0.00 66.41 65.80 2dc2 h THR 78 Cb 0.05 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2dc2 h THR 78 CO -0.04 0.52 -0.03 0.40 0.37 0.00 0.00 175.52 176.74 2dc2 h ILE 79 N 0.61 1.28 -0.31 3.11 2.04 -1.12 -1.97 117.51 121.16 2dc2 h ILE 79 Ca 0.04 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 2dc2 h ILE 79 Cb 0.98 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2dc2 h ILE 79 CO 0.09 0.29 -0.02 0.17 0.00 0.00 0.00 178.15 178.68 2dc2 h LEU 80 N -0.00 0.45 -0.76 1.44 8.10 -1.09 -2.26 115.31 121.18 2dc2 h LEU 80 Ca 0.04 -0.08 -0.10 0.00 0.11 0.00 0.00 57.88 57.84 2dc2 h LEU 80 Cb 0.46 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.54 2dc2 h LEU 80 CO 0.01 0.53 -0.49 0.77 -4.11 0.00 0.00 178.44 175.15 2dc2 h SER 81 N 0.46 0.00 0.31 0.17 4.64 -1.36 -3.05 113.55 114.72 2dc2 h SER 81 Ca 0.10 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.37 2dc2 h SER 81 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 2dc2 h SER 81 CO 0.01 0.49 -0.21 1.56 -0.87 0.00 0.00 176.83 177.81 2dc2 h GLN 82 N 0.00 0.00 -6.11 4.77 1.08 -0.73 -3.42 115.11 110.69 2dc2 h GLN 82 Ca -0.00 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.61 2dc2 h GLN 82 Cb 1.04 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.48 2dc2 h GLN 82 CO 0.06 0.21 1.38 1.04 -0.95 0.00 0.00 178.83 180.58 2dc2 n GLN 83 N -4.02 2.15 -4.01 1.46 1.13 -1.15 -4.97 117.38 107.97 2dc2 n GLN 83 Ca -0.02 0.68 -0.33 0.00 -1.94 0.00 0.00 57.00 55.39 2dc2 n GLN 83 Cb 0.29 -3.05 -0.06 0.00 0.11 0.00 0.00 30.24 27.53 2dc2 n GLN 83 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2dc2 s ARG 84 N 5.63 3.21 3.98 -1.09 6.06 -1.26 -4.89 118.95 130.59 2dc2 s ARG 84 Ca 0.98 -0.44 0.00 0.00 -2.50 0.00 0.00 55.73 53.77 2dc2 s ARG 84 Cb -0.44 -2.95 0.00 0.00 0.06 0.00 0.00 34.95 31.62 2dc2 s ARG 84 CO 0.40 0.65 0.00 0.41 -2.50 0.00 0.00 175.30 174.26 2dc2 n GLY 85 N 0.99 0.73 3.78 8.12 0.00 -1.26 -4.63 105.19 112.93 2dc2 n GLY 85 Ca -0.11 0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 2dc2 n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dc2 s GLU 86 N 0.00 4.13 -0.11 1.61 2.12 -1.26 -2.75 118.70 122.44 2dc2 s GLU 86 Ca 0.00 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.79 2dc2 s GLU 86 Cb 0.00 -3.31 0.02 0.00 0.26 0.00 0.00 34.13 31.10 2dc2 s GLU 86 CO 0.00 0.46 -0.10 0.42 -0.54 0.00 0.00 175.26 175.50 2dc2 s ILE 87 N -0.37 1.16 -0.26 -3.70 1.01 -0.43 -4.99 121.20 113.61 2dc2 s ILE 87 Ca 0.25 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.38 2dc2 s ILE 87 Cb -0.16 -1.13 -0.05 0.00 0.01 0.00 0.00 42.46 41.13 2dc2 s ILE 87 CO 0.13 0.38 0.25 -1.61 0.00 0.00 0.00 174.94 174.09 2dc2 s GLU 88 N 1.45 4.01 -0.13 2.79 2.02 -1.26 -0.88 118.70 126.69 2dc2 s GLU 88 Ca 0.01 -0.17 0.00 0.00 0.02 0.00 0.00 54.97 54.83 2dc2 s GLU 88 Cb -0.13 -3.63 -0.01 0.00 0.10 0.00 0.00 34.13 30.46 2dc2 s GLU 88 CO -0.06 -0.15 -0.14 -0.06 0.02 0.00 0.00 175.26 174.87 2dc2 s PHE 89 N 1.69 2.80 -0.27 1.61 0.40 -0.80 0.52 117.98 123.93 2dc2 s PHE 89 Ca 0.10 -0.70 -0.05 0.00 -0.60 0.00 0.00 56.93 55.68 2dc2 s PHE 89 Cb -0.15 -1.84 0.01 0.00 0.51 0.00 0.00 43.02 41.54 2dc2 s PHE 89 CO 0.09 -0.25 0.04 -2.00 0.70 0.00 0.00 175.22 173.80 2dc2 s GLU 90 N 0.40 3.10 0.21 0.44 2.12 0.40 -2.37 118.70 123.01 2dc2 s GLU 90 Ca -0.11 -0.83 0.00 0.00 0.36 0.00 0.00 54.97 54.39 2dc2 s GLU 90 Cb -0.16 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2dc2 s GLU 90 CO 0.05 -0.39 0.09 0.14 -0.54 0.00 0.00 175.26 174.62 2dc2 s VAL 91 N 1.47 0.31 -0.03 3.70 -7.23 -1.11 -1.52 120.40 115.98 2dc2 s VAL 91 Ca 0.03 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.22 2dc2 s VAL 91 Cb -0.17 -2.46 0.01 0.00 0.56 0.00 0.00 36.38 34.33 2dc2 s VAL 91 CO 0.00 -0.11 -0.06 -0.69 -0.31 0.00 0.00 175.10 173.94 2dc2 s VAL 92 N -3.93 0.57 -0.10 1.32 1.01 0.13 -1.68 120.40 117.73 2dc2 s VAL 92 Ca 0.35 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 2dc2 s VAL 92 Cb 0.07 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2dc2 s VAL 92 CO 0.11 0.21 1.67 -0.47 0.00 0.00 0.00 175.10 176.62 2dc2 s TYR 93 N 0.61 1.97 -0.06 5.22 6.14 -1.25 -0.99 117.35 128.99 2dc2 s TYR 93 Ca -0.08 0.28 0.05 0.00 0.64 0.00 0.00 57.07 57.96 2dc2 s TYR 93 Cb -0.12 -3.93 -0.01 0.00 0.42 0.00 0.00 41.96 38.32 2dc2 s TYR 93 CO 0.00 -3.67 -0.22 0.54 0.64 0.00 0.00 175.55 172.85 2dc2 s VAL 94 N 4.45 2.36 -1.67 3.14 0.11 -1.15 -4.91 120.40 122.74 2dc2 s VAL 94 Ca 0.74 -0.96 0.13 0.00 -2.93 0.00 0.00 61.98 58.97 2dc2 s VAL 94 Cb -0.31 -1.89 0.11 0.00 -1.53 0.00 0.00 36.38 32.75 2dc2 s VAL 94 CO 0.30 0.57 0.92 0.00 -3.33 0.00 0.00 175.10 173.56