#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 5.25 -0.15 0.52 1.10 -1.26 -4.07 121.20 122.59 2dc2 s ILE 10 Ca 0.00 0.14 0.01 0.00 -0.51 0.00 0.00 60.65 60.28 2dc2 s ILE 10 Cb 0.00 -3.40 0.02 0.00 0.15 0.00 0.00 42.46 39.22 2dc2 s ILE 10 CO 0.00 0.42 -0.16 -0.60 -2.11 0.00 0.00 174.94 172.49 2dc2 s ARG 11 N 0.54 2.47 -0.31 3.50 3.52 -0.73 -5.04 118.95 122.90 2dc2 s ARG 11 Ca 0.07 -0.63 -0.05 0.00 -0.13 0.00 0.00 55.73 54.99 2dc2 s ARG 11 Cb -0.12 -2.17 0.03 0.00 -1.56 0.00 0.00 34.95 31.13 2dc2 s ARG 11 CO 0.00 -0.18 0.05 0.15 -0.81 0.00 0.00 175.30 174.51 2dc2 s LYS 12 N 1.29 2.69 -0.03 5.12 -0.14 -1.26 -2.50 119.74 124.91 2dc2 s LYS 12 Ca 0.02 -1.11 0.02 0.00 -1.36 0.00 0.00 55.97 53.53 2dc2 s LYS 12 Cb -0.13 -3.30 0.01 0.00 -1.68 0.00 0.00 37.83 32.72 2dc2 s LYS 12 CO -0.08 -0.57 -0.07 0.08 -0.76 0.00 0.00 175.35 173.94 2dc2 s VAL 13 N 1.37 0.66 -0.09 3.17 1.01 -1.13 -5.07 120.40 120.31 2dc2 s VAL 13 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2dc2 s VAL 13 Cb -0.19 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 2dc2 s VAL 13 CO 0.01 0.22 0.22 -0.76 0.00 0.00 0.00 175.10 174.79 2dc2 s LEU 14 N 0.32 4.41 -0.24 3.92 1.02 -1.26 -2.34 118.68 124.51 2dc2 s LEU 14 Ca -0.05 0.61 -0.06 0.00 0.02 0.00 0.00 54.13 54.65 2dc2 s LEU 14 Cb -0.09 -2.23 -0.02 0.00 0.02 0.00 0.00 46.19 43.87 2dc2 s LEU 14 CO 0.00 0.37 0.03 -0.22 0.02 0.00 0.00 176.35 176.56 2dc2 s LEU 15 N -0.98 3.28 -0.28 1.79 2.96 0.18 -4.97 118.68 120.65 2dc2 s LEU 15 Ca 0.17 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2dc2 s LEU 15 Cb -0.13 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.71 2dc2 s LEU 15 CO 0.07 -0.04 0.05 -0.22 -1.32 0.00 0.00 176.35 174.89 2dc2 s LEU 16 N 1.56 3.70 0.03 -0.68 2.96 -1.26 -2.09 118.68 122.89 2dc2 s LEU 16 Ca 0.06 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2dc2 s LEU 16 Cb -0.15 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2dc2 s LEU 16 CO 0.01 -0.17 0.03 -1.59 -1.32 0.00 0.00 176.35 173.31 2dc2 s LYS 17 N 1.47 0.46 0.50 1.98 0.00 -1.24 -4.73 119.74 118.18 2dc2 s LYS 17 Ca 0.02 -0.73 0.07 0.00 0.00 0.00 0.00 55.97 55.33 2dc2 s LYS 17 Cb -0.17 0.17 0.04 0.00 0.00 0.00 0.00 37.83 37.88 2dc2 s LYS 17 CO 0.01 -0.10 0.69 -1.21 0.00 0.00 0.00 175.35 174.74 2dc2 s GLU 18 N -2.21 2.57 0.30 1.78 0.41 -1.26 -3.98 118.70 116.30 2dc2 s GLU 18 Ca -0.09 -1.31 -0.01 0.00 -0.41 0.00 0.00 54.97 53.15 2dc2 s GLU 18 Cb -0.04 -2.67 0.48 0.00 -1.78 0.00 0.00 34.13 30.12 2dc2 s GLU 18 CO -0.03 -0.57 1.94 0.22 -0.49 0.00 0.00 175.26 176.33 2dc2 h ASP 19 N 0.37 0.93 0.63 -0.19 1.82 -2.01 -1.63 116.42 116.33 2dc2 h ASP 19 Ca -0.37 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.12 2dc2 h ASP 19 Cb 1.28 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 41.06 2dc2 h ASP 19 CO 0.44 0.64 -0.65 1.12 -1.61 0.00 0.00 179.24 179.18 2dc2 h HIS 20 N 1.08 0.03 -4.27 0.28 2.07 -2.06 -3.45 115.15 108.83 2dc2 h HIS 20 Ca 0.34 -0.01 -0.47 0.00 -2.85 0.00 0.00 60.37 57.38 2dc2 h HIS 20 Cb 0.02 -0.00 0.13 0.00 2.57 0.00 0.00 27.41 30.12 2dc2 h HIS 20 CO -0.00 0.66 0.31 -1.21 -3.07 0.00 0.00 177.93 174.63 2dc2 s GLU 21 N -3.55 1.37 0.00 5.12 2.02 -0.61 -5.09 118.70 117.95 2dc2 s GLU 21 Ca -0.01 0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.33 2dc2 s GLU 21 Cb 0.12 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.49 2dc2 s GLU 21 CO 0.77 -2.06 0.00 0.41 0.02 0.00 0.00 175.26 174.41 2dc2 n GLY 22 N -2.23 4.74 0.11 -1.39 0.00 -1.26 -4.74 105.19 100.42 2dc2 n GLY 22 Ca 0.07 -1.82 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.16 0.00 0.99 5.85 -1.98 -3.47 115.31 116.53 2dc2 h LEU 23 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2dc2 h LEU 23 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2dc2 h LEU 23 CO 0.00 0.26 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 2dc2 n GLY 24 N 1.27 1.56 3.24 3.75 0.00 -1.26 -4.53 105.19 109.23 2dc2 n GLY 24 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.32 0.09 -0.04 -0.61 -4.36 -1.26 0.42 121.20 113.11 2dc2 s ILE 25 Ca 0.00 -1.64 0.06 0.00 -0.26 0.00 0.00 60.65 58.82 2dc2 s ILE 25 Cb 0.00 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.78 2dc2 s ILE 25 CO 0.00 -0.40 -0.24 -0.55 0.24 0.00 0.00 174.94 173.99 2dc2 s SER 26 N -3.00 2.91 0.17 4.36 0.15 0.13 -4.88 113.70 113.54 2dc2 s SER 26 Ca 0.20 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.48 2dc2 s SER 26 Cb 0.05 -0.65 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 2dc2 s SER 26 CO 0.00 0.25 -0.20 0.27 1.20 0.00 0.00 173.24 174.77 2dc2 s ILE 27 N -0.27 2.64 0.01 6.45 -4.36 -1.26 -1.72 121.20 122.69 2dc2 s ILE 27 Ca 0.00 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.55 2dc2 s ILE 27 Cb -0.12 -2.26 -0.01 0.00 1.25 0.00 0.00 42.46 41.31 2dc2 s ILE 27 CO 0.02 -0.07 -0.02 0.28 0.24 0.00 0.00 174.94 175.39 2dc2 s THR 28 N -1.56 0.11 -5.00 8.37 -1.32 0.08 -4.92 115.64 111.39 2dc2 s THR 28 Ca 0.21 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 2dc2 s THR 28 Cb -0.09 -0.19 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 2dc2 s THR 28 CO 0.11 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 2dc2 n GLY 29 N 2.20 0.06 0.00 6.08 0.00 -1.26 -2.56 105.19 109.70 2dc2 n GLY 29 Ca -0.19 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 0.64 0.34 -0.02 0.00 -1.09 -4.86 105.19 100.21 2dc2 n GLY 30 Ca 0.00 0.57 0.08 0.00 0.00 0.00 0.00 46.02 46.67 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 0.58 -0.11 1.61 3.11 -1.76 -0.72 116.57 119.26 2dc2 h LYS 31 Ca 0.00 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.80 2dc2 h LYS 31 Cb 0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.09 2dc2 h LYS 31 CO 0.00 0.38 0.04 0.93 -2.81 0.00 0.00 179.45 177.99 2dc2 h GLU 32 N 0.59 0.15 0.03 1.90 5.08 -1.89 -2.11 114.58 118.33 2dc2 h GLU 32 Ca 0.27 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.37 2dc2 h GLU 32 Cb 0.30 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2dc2 h GLU 32 CO -0.08 0.14 -1.24 0.45 -1.00 0.00 0.00 179.01 177.27 2dc2 h HIS 33 N 0.15 0.12 0.00 4.33 3.86 -1.54 -3.48 115.15 118.59 2dc2 h HIS 33 Ca 0.04 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2dc2 h HIS 33 Cb 0.05 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2dc2 h HIS 33 CO 0.00 1.09 0.00 0.41 0.86 0.00 0.00 177.93 180.29 2dc2 n GLY 34 N 1.46 1.77 2.80 2.45 0.00 -0.79 -5.11 105.19 107.76 2dc2 n GLY 34 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.05 0.79 1.61 0.11 -1.09 -5.02 120.40 114.74 2dc2 s VAL 35 Ca 0.00 0.20 -0.13 0.00 -2.93 0.00 0.00 61.98 59.11 2dc2 s VAL 35 Cb 0.00 -0.09 0.07 0.00 -1.53 0.00 0.00 36.38 34.83 2dc2 s VAL 35 CO 0.00 0.08 1.18 -2.84 -3.33 0.00 0.00 175.10 170.19 2dc2 s PRO 36 N 0.99 1.82 0.09 1.54 0.02 -1.26 -2.67 135.00 135.54 2dc2 s PRO 36 Ca -0.08 1.66 -0.25 0.00 0.02 0.00 0.00 61.00 62.35 2dc2 s PRO 36 Cb -0.12 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.53 2dc2 s PRO 36 CO -0.03 -2.05 0.75 0.42 -0.33 0.00 0.00 177.00 175.76 2dc2 s ILE 37 N -2.24 4.60 0.07 2.83 -1.09 -1.26 -4.50 121.20 119.60 2dc2 s ILE 37 Ca 0.71 1.63 -0.07 0.00 -2.23 0.00 0.00 60.65 60.69 2dc2 s ILE 37 Cb -0.26 -4.11 -0.01 0.00 -1.58 0.00 0.00 42.46 36.50 2dc2 s ILE 37 CO 0.50 0.44 0.14 -1.48 -1.23 0.00 0.00 174.94 173.31 2dc2 s LEU 38 N -0.54 1.63 -0.15 2.97 2.34 -1.06 -0.57 118.68 123.30 2dc2 s LEU 38 Ca 0.37 -0.65 -0.21 0.00 0.06 0.00 0.00 54.13 53.70 2dc2 s LEU 38 Cb -0.21 0.84 -0.03 0.00 -0.56 0.00 0.00 46.19 46.23 2dc2 s LEU 38 CO 0.24 -0.65 0.64 -0.63 -1.06 0.00 0.00 176.35 174.89 2dc2 s ILE 39 N -3.51 5.04 -0.11 1.48 1.01 0.14 -0.74 121.20 124.51 2dc2 s ILE 39 Ca 0.02 1.26 0.05 0.00 0.00 0.00 0.00 60.65 61.99 2dc2 s ILE 39 Cb 0.04 -3.97 -0.10 0.00 0.01 0.00 0.00 42.46 38.44 2dc2 s ILE 39 CO -0.09 0.16 -0.03 -0.24 0.00 0.00 0.00 174.94 174.75 2dc2 n SER 40 N 4.58 2.79 -4.29 3.58 2.88 -0.70 0.05 113.62 122.51 2dc2 n SER 40 Ca -0.02 -0.03 -0.26 0.00 -1.33 0.00 0.00 58.87 57.24 2dc2 n SER 40 Cb 0.50 0.34 -0.13 0.00 -0.75 0.00 0.00 64.21 64.17 2dc2 n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2dc2 s GLU 41 N -2.24 1.34 -0.13 -1.46 2.12 -1.16 -4.69 118.70 112.48 2dc2 s GLU 41 Ca -0.10 -1.10 -0.00 0.00 0.36 0.00 0.00 54.97 54.13 2dc2 s GLU 41 Cb 0.03 -1.58 0.02 0.00 0.26 0.00 0.00 34.13 32.87 2dc2 s GLU 41 CO 0.35 0.39 -0.11 0.42 -0.54 0.00 0.00 175.26 175.77 2dc2 s ILE 42 N -0.96 1.29 -0.37 -3.70 1.01 -1.26 0.17 121.20 117.37 2dc2 s ILE 42 Ca 0.09 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.99 2dc2 s ILE 42 Cb -0.10 -1.25 0.02 0.00 0.01 0.00 0.00 42.46 41.14 2dc2 s ILE 42 CO 0.03 0.41 1.17 -1.00 0.00 0.00 0.00 174.94 175.56 2dc2 s HIS 43 N 1.59 2.88 0.64 3.97 3.76 0.17 -4.96 115.29 123.34 2dc2 s HIS 43 Ca 0.05 0.93 -0.18 0.00 -0.15 0.00 0.00 55.06 55.70 2dc2 s HIS 43 Cb -0.13 -4.03 -0.01 0.00 1.11 0.00 0.00 32.58 29.52 2dc2 s HIS 43 CO -0.09 -1.23 1.30 -2.14 -0.85 0.00 0.00 174.74 171.72 2dc2 s PRO 44 N 4.13 2.58 -0.22 8.40 0.02 -1.26 -3.75 135.00 144.89 2dc2 s PRO 44 Ca 0.50 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.59 2dc2 s PRO 44 Cb -0.12 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.54 2dc2 s PRO 44 CO 0.24 -1.58 0.18 0.41 -0.33 0.00 0.00 177.00 175.91 2dc2 n GLY 45 N 0.90 0.70 3.35 0.52 0.00 -1.26 -5.05 105.19 104.35 2dc2 n GLY 45 Ca 0.16 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.17 1.49 0.47 1.61 -0.21 -1.25 -5.03 119.66 111.58 2dc2 s GLN 46 Ca 0.09 -1.63 0.24 0.00 0.02 0.00 0.00 55.36 54.08 2dc2 s GLN 46 Cb -0.04 0.35 1.28 0.00 1.00 0.00 0.00 33.01 35.60 2dc2 s GLN 46 CO 0.11 -0.56 1.87 -1.35 -2.12 0.00 0.00 175.29 173.24 2dc2 h PRO 47 N 2.37 0.21 -0.32 2.91 0.11 -1.85 -0.95 132.00 134.49 2dc2 h PRO 47 Ca -0.31 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 2dc2 h PRO 47 Cb 1.25 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2dc2 h PRO 47 CO 0.44 0.14 0.15 0.00 -0.21 0.00 0.00 178.00 178.52 2dc2 h ALA 48 N 1.59 0.41 -0.62 -0.75 0.00 -1.84 0.15 119.26 118.21 2dc2 h ALA 48 Ca 0.46 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 2dc2 h ALA 48 Cb 1.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2dc2 h ALA 48 CO -0.11 -0.03 0.17 0.22 0.00 0.00 0.00 179.25 179.50 2dc2 h ASP 49 N 0.38 0.92 0.48 0.00 1.82 -1.45 -2.67 116.42 115.89 2dc2 h ASP 49 Ca 0.11 -0.22 -0.10 0.00 -0.39 0.00 0.00 57.03 56.43 2dc2 h ASP 49 Cb 0.12 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.87 2dc2 h ASP 49 CO -0.01 0.90 -0.46 0.03 -1.61 0.00 0.00 179.24 178.08 2dc2 h ARG 50 N 0.89 0.00 0.00 0.28 3.08 -1.23 -2.93 114.38 114.47 2dc2 h ARG 50 Ca 0.20 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.15 2dc2 h ARG 50 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2dc2 h ARG 50 CO -0.00 0.46 -0.43 0.00 -1.07 0.00 0.00 179.97 178.93 2dc2 n GLY 52 N -0.03 1.39 0.36 0.00 0.00 -1.07 -4.57 105.19 101.27 2dc2 n GLY 52 Ca -0.01 -0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.18 2dc2 n GLY 52 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dc2 h GLY 53 N 0.00 0.00 -7.29 -0.02 0.00 -1.91 -3.38 103.07 90.47 2dc2 h GLY 53 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 2dc2 h GLY 53 CO 0.00 0.00 0.42 1.08 0.00 0.00 0.00 176.54 178.04 2dc2 s LEU 54 N -7.33 3.03 0.23 3.11 2.01 -1.26 -4.92 118.68 113.55 2dc2 s LEU 54 Ca -0.04 -0.30 0.10 0.00 0.01 0.00 0.00 54.13 53.89 2dc2 s LEU 54 Cb 0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 46.19 43.75 2dc2 s LEU 54 CO 0.52 -3.27 -0.10 -1.38 1.01 0.00 0.00 176.35 173.12 2dc2 s HIS 55 N 12.30 2.54 0.21 0.29 -3.43 -1.26 -4.86 115.29 121.07 2dc2 s HIS 55 Ca 0.81 -0.26 -0.31 0.00 -0.80 0.00 0.00 55.06 54.50 2dc2 s HIS 55 Cb -0.10 -1.17 -0.10 0.00 -1.43 0.00 0.00 32.58 29.78 2dc2 s HIS 55 CO 0.04 0.59 1.54 0.08 -2.00 0.00 0.00 174.74 174.99 2dc2 s VAL 56 N -2.08 2.53 0.00 -5.38 1.01 -1.26 -3.51 120.40 111.70 2dc2 s VAL 56 Ca 0.28 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.66 2dc2 s VAL 56 Cb -0.07 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.05 2dc2 s VAL 56 CO 0.16 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2dc2 n GLY 57 N 3.12 0.95 3.33 4.51 0.00 0.11 -4.98 105.19 112.23 2dc2 n GLY 57 Ca 0.11 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.32 4.56 -0.13 1.61 -1.08 -1.16 -1.62 116.67 116.54 2dc2 s ASP 58 Ca 0.00 -0.42 -0.17 0.00 -0.52 0.00 0.00 52.55 51.44 2dc2 s ASP 58 Cb 0.00 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.63 2dc2 s ASP 58 CO 0.00 -0.05 0.42 0.00 0.52 0.00 0.00 175.17 176.06 2dc2 s ALA 59 N 1.50 3.52 0.42 3.66 0.00 -0.46 0.29 121.76 130.68 2dc2 s ALA 59 Ca 0.05 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.56 2dc2 s ALA 59 Cb -0.15 -2.56 -0.10 0.00 0.00 0.00 0.00 23.12 20.31 2dc2 s ALA 59 CO -0.01 0.04 0.90 0.42 0.00 0.00 0.00 175.76 177.11 2dc2 s ILE 60 N 0.52 4.50 0.05 0.00 1.09 0.26 -0.93 121.20 126.69 2dc2 s ILE 60 Ca 0.23 1.28 0.00 0.00 -1.10 0.00 0.00 60.65 61.06 2dc2 s ILE 60 Cb -0.14 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 2dc2 s ILE 60 CO 0.08 -0.37 0.00 0.18 -0.10 0.00 0.00 174.94 174.74 2dc2 n LEU 61 N -0.78 0.01 -3.95 2.97 4.77 -0.40 -4.63 117.00 114.98 2dc2 n LEU 61 Ca 0.06 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2dc2 n LEU 61 Cb 0.54 0.05 -0.12 0.00 -2.33 0.00 0.00 43.42 41.56 2dc2 n LEU 61 CO 0.40 -0.48 -0.36 0.00 -1.33 0.00 0.00 177.39 175.62 2dc2 s ALA 62 N -2.00 0.10 -0.16 -1.18 0.00 -1.17 -1.04 121.76 116.31 2dc2 s ALA 62 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 2dc2 s ALA 62 Cb 0.00 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.27 2dc2 s ALA 62 CO 0.00 -0.12 -0.04 0.08 0.00 0.00 0.00 175.76 175.68 2dc2 s VAL 63 N -1.08 1.00 -1.36 0.00 1.01 0.12 -0.27 120.40 119.83 2dc2 s VAL 63 Ca -0.12 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 2dc2 s VAL 63 Cb -0.07 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.14 2dc2 s VAL 63 CO -0.01 0.13 0.30 -3.20 0.00 0.00 0.00 175.10 172.33 2dc2 n ASN 64 N 4.91 -4.73 0.00 3.32 2.85 0.18 -0.37 115.26 121.42 2dc2 n ASN 64 Ca -0.11 -0.13 0.00 0.00 -0.11 0.00 0.00 54.58 54.23 2dc2 n ASN 64 Cb 0.48 -3.92 0.00 0.00 1.24 0.00 0.00 39.78 37.58 2dc2 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dc2 n GLY 65 N -1.13 2.65 3.76 8.20 0.00 -1.26 -5.01 105.19 112.40 2dc2 n GLY 65 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.30 4.47 0.08 1.61 1.01 0.50 -5.03 120.40 120.74 2dc2 s VAL 66 Ca 0.00 1.73 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 2dc2 s VAL 66 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2dc2 s VAL 66 CO 0.00 0.46 1.15 0.20 0.00 0.00 0.00 175.10 176.91 2dc2 s ASN 67 N -0.74 7.16 -0.04 3.32 -0.87 -1.26 0.12 114.94 122.62 2dc2 s ASN 67 Ca 0.38 1.98 0.12 0.00 -1.57 0.00 0.00 52.86 53.77 2dc2 s ASN 67 Cb -0.22 -2.58 -0.19 0.00 -0.02 0.00 0.00 41.25 38.23 2dc2 s ASN 67 CO 0.26 -0.39 0.22 -0.11 -2.57 0.00 0.00 177.10 174.51 2dc2 n LEU 68 N 3.60 0.00 0.26 0.60 0.00 -0.21 -4.51 117.00 116.75 2dc2 n LEU 68 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 56.01 56.18 2dc2 n LEU 68 Cb 0.47 0.08 0.68 0.00 0.00 0.00 0.00 43.42 44.65 2dc2 n LEU 68 CO 0.55 0.08 1.04 -0.09 0.00 0.00 0.00 177.39 178.96 2dc2 h ARG 69 N 0.00 0.00 -0.58 1.96 2.43 -1.83 -1.20 114.38 115.16 2dc2 h ARG 69 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2dc2 h ARG 69 Cb 0.90 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2dc2 h ARG 69 CO 0.00 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.26 2dc2 n ASP 70 N -4.26 3.26 -4.66 -3.80 9.92 -1.26 -4.93 116.55 110.81 2dc2 n ASP 70 Ca -0.03 -2.15 -0.23 0.00 -0.53 0.00 0.00 54.79 51.85 2dc2 n ASP 70 Cb 0.13 -0.42 -0.07 0.00 -0.64 0.00 0.00 41.12 40.12 2dc2 n ASP 70 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2dc2 s THR 71 N -1.49 3.11 0.48 -3.53 -4.23 -0.46 -5.14 115.64 104.38 2dc2 s THR 71 Ca 0.37 -1.87 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 2dc2 s THR 71 Cb 0.21 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 2dc2 s THR 71 CO 0.22 -0.28 0.76 -0.54 -0.54 0.00 0.00 174.62 174.24 2dc2 s LYS 72 N -3.73 3.38 0.14 3.99 3.01 -1.26 -4.42 119.74 120.85 2dc2 s LYS 72 Ca 0.34 0.01 -0.20 0.00 -1.01 0.00 0.00 55.97 55.12 2dc2 s LYS 72 Cb -0.04 -2.42 0.02 0.00 -1.01 0.00 0.00 37.83 34.38 2dc2 s LYS 72 CO 0.20 -0.24 1.68 1.25 0.51 0.00 0.00 175.35 178.75 2dc2 h HIS 73 N 0.26 -0.25 -0.33 3.18 -0.00 -1.93 0.71 115.15 116.79 2dc2 h HIS 73 Ca -0.47 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 59.83 2dc2 h HIS 73 Cb 1.22 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.77 2dc2 h HIS 73 CO 0.54 -0.17 -0.15 0.87 -0.00 0.00 0.00 177.93 179.02 2dc2 h LYS 74 N -0.07 0.69 -0.67 5.26 1.57 -1.96 -2.92 116.57 118.48 2dc2 h LYS 74 Ca 0.13 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2dc2 h LYS 74 Cb 0.26 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2dc2 h LYS 74 CO -0.29 0.89 0.27 1.49 -0.57 0.00 0.00 179.45 181.24 2dc2 h GLU 75 N 0.46 0.99 -0.06 3.15 4.22 -1.84 -2.31 114.58 119.18 2dc2 h GLU 75 Ca 0.07 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.31 2dc2 h GLU 75 Cb 0.69 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2dc2 h GLU 75 CO 0.05 0.80 -0.15 0.00 -2.18 0.00 0.00 179.01 177.53 2dc2 h ALA 76 N 1.32 1.65 -0.76 2.92 0.00 0.51 -2.46 119.26 122.45 2dc2 h ALA 76 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dc2 h ALA 76 Cb 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2dc2 h ALA 76 CO -0.02 0.26 0.40 0.28 0.00 0.00 0.00 179.25 180.17 2dc2 h VAL 77 N 0.08 1.24 -0.38 0.00 2.07 -1.22 0.85 116.25 118.89 2dc2 h VAL 77 Ca 0.02 -0.62 -0.16 0.00 0.82 0.00 0.00 66.70 66.76 2dc2 h VAL 77 Cb 0.32 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2dc2 h VAL 77 CO 0.02 0.27 -0.39 0.74 0.02 0.00 0.00 177.57 178.23 2dc2 h THR 78 N 1.06 1.27 -0.08 2.57 2.02 -1.47 -1.98 112.91 116.31 2dc2 h THR 78 Ca 0.27 -1.57 -0.01 0.00 0.77 0.00 0.00 66.41 65.87 2dc2 h THR 78 Cb 0.07 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2dc2 h THR 78 CO -0.04 0.53 0.01 0.40 0.37 0.00 0.00 175.52 176.79 2dc2 h ILE 79 N 0.77 1.21 -0.55 3.11 2.04 -1.09 -1.49 117.51 121.50 2dc2 h ILE 79 Ca 0.06 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 2dc2 h ILE 79 Cb 0.99 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 2dc2 h ILE 79 CO 0.10 0.18 0.21 0.17 0.00 0.00 0.00 178.15 178.80 2dc2 h LEU 80 N -0.11 0.74 -0.49 1.44 8.10 -0.87 -1.84 115.31 122.28 2dc2 h LEU 80 Ca 0.02 -0.10 0.00 0.00 0.11 0.00 0.00 57.88 57.92 2dc2 h LEU 80 Cb 0.27 -0.19 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 2dc2 h LEU 80 CO 0.00 0.68 0.00 0.77 -4.11 0.00 0.00 178.44 175.78 2dc2 h SER 81 N 0.80 0.00 0.52 0.17 4.64 -1.22 -3.08 113.55 115.37 2dc2 h SER 81 Ca 0.19 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 2dc2 h SER 81 Cb 0.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2dc2 h SER 81 CO -0.02 0.00 -0.56 1.56 -0.87 0.00 0.00 176.83 176.94 2dc2 h GLN 82 N 0.00 0.05 -6.26 4.77 1.08 -0.38 -3.43 115.11 110.94 2dc2 h GLN 82 Ca 0.00 -0.03 -0.56 0.00 -1.45 0.00 0.00 58.65 56.61 2dc2 h GLN 82 Cb 0.58 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2dc2 h GLN 82 CO 0.00 0.59 1.14 -0.65 -0.95 0.00 0.00 178.83 178.96 2dc2 s GLN 83 N -3.77 3.93 0.04 1.46 1.11 -1.17 -5.00 119.66 116.27 2dc2 s GLN 83 Ca -0.02 1.95 0.03 0.00 0.01 0.00 0.00 55.36 57.33 2dc2 s GLN 83 Cb 0.13 -4.04 -0.04 0.00 -1.01 0.00 0.00 33.01 28.05 2dc2 s GLN 83 CO 0.76 -1.14 0.02 1.03 0.01 0.00 0.00 175.29 175.97 2dc2 s ARG 84 N 4.50 2.76 3.68 2.91 0.52 -1.26 -4.88 118.95 127.18 2dc2 s ARG 84 Ca 0.75 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 2dc2 s ARG 84 Cb -0.30 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.51 2dc2 s ARG 84 CO 0.30 0.59 0.00 0.41 0.02 0.00 0.00 175.30 176.62 2dc2 n GLY 85 N 0.97 0.45 3.62 -3.53 0.00 -1.26 -4.54 105.19 100.90 2dc2 n GLY 85 Ca -0.12 0.59 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 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 3.92 -0.16 1.61 2.12 -1.26 -3.68 118.70 121.24 2dc2 s GLU 86 Ca 0.00 0.74 0.01 0.00 0.36 0.00 0.00 54.97 56.09 2dc2 s GLU 86 Cb 0.00 -3.78 0.01 0.00 0.26 0.00 0.00 34.13 30.62 2dc2 s GLU 86 CO 0.00 -0.94 -0.20 0.42 -0.54 0.00 0.00 175.26 174.00 2dc2 s ILE 87 N 3.55 2.12 -0.25 -3.70 1.01 -0.89 -5.00 121.20 118.04 2dc2 s ILE 87 Ca 0.41 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 60.01 2dc2 s ILE 87 Cb -0.12 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.43 2dc2 s ILE 87 CO 0.18 0.54 0.17 -0.70 0.00 0.00 0.00 174.94 175.12 2dc2 s GLU 88 N 1.07 4.00 -0.09 2.79 2.12 -1.26 0.47 118.70 127.79 2dc2 s GLU 88 Ca -0.01 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.06 2dc2 s GLU 88 Cb -0.14 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.68 2dc2 s GLU 88 CO -0.08 -0.04 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.34 2dc2 s PHE 89 N 1.35 2.21 -0.27 5.30 0.40 -0.99 0.49 117.98 126.48 2dc2 s PHE 89 Ca 0.07 -0.91 -0.04 0.00 -0.60 0.00 0.00 56.93 55.45 2dc2 s PHE 89 Cb -0.15 -1.51 0.02 0.00 0.51 0.00 0.00 43.02 41.89 2dc2 s PHE 89 CO 0.07 -0.39 0.01 -1.21 0.70 0.00 0.00 175.22 174.39 2dc2 s GLU 90 N 0.50 2.96 0.25 0.44 2.02 0.63 -2.86 118.70 122.64 2dc2 s GLU 90 Ca -0.16 -0.92 0.01 0.00 0.02 0.00 0.00 54.97 53.92 2dc2 s GLU 90 Cb -0.17 -3.18 -0.05 0.00 0.10 0.00 0.00 34.13 30.83 2dc2 s GLU 90 CO 0.06 -0.42 0.09 0.14 0.02 0.00 0.00 175.26 175.15 2dc2 s VAL 91 N 1.41 0.57 0.00 2.63 -7.23 -1.04 -1.28 120.40 115.46 2dc2 s VAL 91 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2dc2 s VAL 91 Cb -0.17 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 2dc2 s VAL 91 CO -0.01 -0.06 -0.00 0.68 -0.31 0.00 0.00 175.10 175.40 2dc2 s VAL 92 N -3.75 0.02 -0.14 1.32 -7.23 -0.11 -1.78 120.40 108.73 2dc2 s VAL 92 Ca 0.36 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 60.13 2dc2 s VAL 92 Cb 0.08 -0.04 -0.05 0.00 0.56 0.00 0.00 36.38 36.93 2dc2 s VAL 92 CO 0.12 -0.06 1.75 -0.47 -0.31 0.00 0.00 175.10 176.14 2dc2 s TYR 93 N -0.18 1.84 -0.10 2.82 6.14 -1.26 -1.36 117.35 125.25 2dc2 s TYR 93 Ca -0.02 0.32 -0.03 0.00 0.64 0.00 0.00 57.07 57.97 2dc2 s TYR 93 Cb -0.01 -4.00 -0.04 0.00 0.42 0.00 0.00 41.96 38.34 2dc2 s TYR 93 CO -0.00 -3.68 0.04 0.54 0.64 0.00 0.00 175.55 173.09 2dc2 s VAL 94 N 5.21 4.64 0.00 3.14 0.11 -0.64 -4.73 120.40 128.13 2dc2 s VAL 94 Ca 0.78 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.71 2dc2 s VAL 94 Cb -0.30 -2.98 0.00 0.00 -1.53 0.00 0.00 36.38 31.57 2dc2 s VAL 94 CO 0.32 0.60 0.00 0.00 -3.33 0.00 0.00 175.10 172.69