#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a30 s GLN 2 N 0.00 3.20 -0.20 0.54 0.74 -1.26 -5.10 119.66 117.59 1a30 s GLN 2 Ca 0.00 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 54.87 1a30 s GLN 2 Cb 0.00 -2.73 0.04 0.00 1.10 0.00 0.00 33.01 31.42 1a30 s GLN 2 CO 0.00 0.44 -0.14 0.42 -0.55 0.00 0.00 175.29 175.46 1a30 s ILE 3 N -0.19 1.85 0.85 -2.34 1.01 -1.26 -5.12 121.20 116.00 1a30 s ILE 3 Ca 0.03 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 1a30 s ILE 3 Cb -0.13 -1.83 0.11 0.00 0.01 0.00 0.00 42.46 40.62 1a30 s ILE 3 CO 0.03 0.28 1.17 0.42 0.00 0.00 0.00 174.94 176.84 1a30 s THR 4 N 1.32 2.00 -0.25 2.92 -4.23 -1.26 -5.01 115.64 111.13 1a30 s THR 4 Ca -0.00 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.62 1a30 s THR 4 Cb -0.16 -2.92 0.47 0.00 1.34 0.00 0.00 72.50 71.23 1a30 s THR 4 CO -0.09 0.00 1.36 0.18 -0.54 0.00 0.00 174.62 175.53 1a30 n LEU 5 N -3.50 3.55 0.20 4.79 4.77 -1.26 -4.61 117.00 120.94 1a30 n LEU 5 Ca 0.08 -3.71 0.06 0.00 -0.03 0.00 0.00 56.01 52.41 1a30 n LEU 5 Cb 0.60 -0.58 0.43 0.00 -2.33 0.00 0.00 43.42 41.54 1a30 n LEU 5 CO 0.56 1.22 0.75 -0.50 -1.33 0.00 0.00 177.39 178.10 1a30 h TRP 6 N 0.99 0.00 -3.55 -1.77 4.06 -2.06 -3.44 115.95 110.17 1a30 h TRP 6 Ca 0.12 0.00 -0.35 0.00 2.06 0.00 0.00 58.89 60.72 1a30 h TRP 6 Cb 1.39 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.41 1a30 h TRP 6 CO 0.84 0.32 -0.64 -1.59 -3.56 0.00 0.00 178.44 173.80 1a30 s LYS 7 N -3.87 1.31 0.14 0.49 -2.85 -1.26 -5.11 119.74 108.58 1a30 s LYS 7 Ca -0.01 -1.67 -0.33 0.00 -1.00 0.00 0.00 55.97 52.96 1a30 s LYS 7 Cb 0.12 -0.43 -0.12 0.00 -2.06 0.00 0.00 37.83 35.34 1a30 s LYS 7 CO 0.67 -0.17 1.73 0.54 0.10 0.00 0.00 175.35 178.23 1a30 n ARG 8 N -0.39 2.54 -1.16 1.78 1.74 -1.26 -4.86 116.66 115.05 1a30 n ARG 8 Ca -0.04 0.92 -0.38 0.00 -0.77 0.00 0.00 57.85 57.58 1a30 n ARG 8 Cb 0.64 -2.76 -0.04 0.00 -1.02 0.00 0.00 32.46 29.29 1a30 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1a30 n PRO 9 N 4.59 1.95 -3.33 5.56 -0.04 -1.26 -4.91 135.00 137.56 1a30 n PRO 9 Ca 0.18 -1.90 -0.38 0.00 -0.04 0.00 0.00 63.50 61.35 1a30 n PRO 9 Cb 0.33 -2.87 -0.06 0.00 -0.04 0.00 0.00 33.50 30.86 1a30 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a30 s LEU 10 N 1.06 4.40 0.25 1.53 1.43 -1.26 -0.92 118.68 125.17 1a30 s LEU 10 Ca 0.52 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 1a30 s LEU 10 Cb 0.14 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1a30 s LEU 10 CO 0.04 0.15 0.05 0.68 0.23 0.00 0.00 176.35 177.51 1a30 s VAL 11 N -0.29 0.81 -0.13 -1.59 -7.23 0.27 -4.93 120.40 107.31 1a30 s VAL 11 Ca 0.27 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.26 1a30 s VAL 11 Cb -0.17 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1a30 s VAL 11 CO 0.14 -0.15 0.44 -0.89 -0.31 0.00 0.00 175.10 174.33 1a30 s THR 12 N -3.57 5.21 0.20 5.32 2.01 -1.26 -1.32 115.64 122.23 1a30 s THR 12 Ca 0.33 0.86 0.11 0.00 0.31 0.00 0.00 61.69 63.31 1a30 s THR 12 Cb 0.07 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1a30 s THR 12 CO 0.11 0.34 -0.22 0.27 -0.69 0.00 0.00 174.62 174.43 1a30 s ILE 13 N 0.60 2.27 -0.20 1.82 -4.36 -0.17 -2.18 121.20 118.98 1a30 s ILE 13 Ca 0.24 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1a30 s ILE 13 Cb -0.15 -2.10 0.04 0.00 1.25 0.00 0.00 42.46 41.50 1a30 s ILE 13 CO 0.09 -0.21 -0.10 -0.75 0.24 0.00 0.00 174.94 174.22 1a30 s LYS 14 N -2.85 1.96 -0.24 0.37 2.20 0.86 -1.27 119.74 120.76 1a30 s LYS 14 Ca 0.21 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1a30 s LYS 14 Cb -0.07 -2.38 0.07 0.00 -1.51 0.00 0.00 37.83 33.94 1a30 s LYS 14 CO 0.10 -0.43 0.01 -1.50 -0.36 0.00 0.00 175.35 173.17 1a30 s ILE 15 N 1.42 1.05 -0.11 5.43 2.07 -1.00 -0.62 121.20 129.44 1a30 s ILE 15 Ca -0.01 -1.04 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 1a30 s ILE 15 Cb -0.16 -1.51 0.00 0.00 0.13 0.00 0.00 42.46 40.92 1a30 s ILE 15 CO -0.08 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.29 1a30 n GLY 16 N 4.83 0.33 2.89 1.50 0.00 -1.26 -3.39 105.19 110.10 1a30 n GLY 16 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1a30 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a30 n GLY 17 N -1.10 2.58 3.54 -0.02 0.00 -1.26 -5.00 105.19 103.93 1a30 n GLY 17 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1a30 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a30 s GLN 18 N -0.04 3.74 0.39 1.61 -2.07 -1.22 -5.10 119.66 116.99 1a30 s GLN 18 Ca 0.00 -0.47 -0.24 0.00 -1.82 0.00 0.00 55.36 52.83 1a30 s GLN 18 Cb 0.00 -2.99 -0.09 0.00 -1.09 0.00 0.00 33.01 28.84 1a30 s GLN 18 CO 0.00 0.26 1.01 -0.51 -1.32 0.00 0.00 175.29 174.74 1a30 s LEU 19 N 0.32 4.13 0.15 2.60 1.43 -1.26 -2.37 118.68 123.69 1a30 s LEU 19 Ca -0.02 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 54.91 1a30 s LEU 19 Cb -0.14 -4.22 0.00 0.00 0.03 0.00 0.00 46.19 41.86 1a30 s LEU 19 CO 0.02 -0.41 0.32 -0.54 0.23 0.00 0.00 176.35 175.97 1a30 s LYS 20 N -2.55 1.14 -0.14 1.70 1.02 -0.40 -4.99 119.74 115.52 1a30 s LYS 20 Ca 0.57 -1.05 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 1a30 s LYS 20 Cb -0.19 0.40 -0.04 0.00 -0.52 0.00 0.00 37.83 37.48 1a30 s LYS 20 CO 0.24 -0.42 0.07 -1.21 -0.92 0.00 0.00 175.35 173.11 1a30 s GLU 21 N -3.92 3.57 0.02 1.68 0.41 -1.26 -1.00 118.70 118.19 1a30 s GLU 21 Ca 0.13 -0.29 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 1a30 s GLU 21 Cb 0.03 -3.11 -0.02 0.00 -1.78 0.00 0.00 34.13 29.25 1a30 s GLU 21 CO -0.03 0.54 -0.03 0.00 -0.49 0.00 0.00 175.26 175.25 1a30 s ALA 22 N -0.38 0.13 -0.21 5.21 0.00 -0.44 -4.34 121.76 121.73 1a30 s ALA 22 Ca 0.10 -0.54 -0.18 0.00 0.00 0.00 0.00 51.96 51.34 1a30 s ALA 22 Cb -0.12 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1a30 s ALA 22 CO 0.02 -0.14 0.50 -1.17 0.00 0.00 0.00 175.76 174.97 1a30 s LEU 23 N -1.32 4.14 -0.51 0.00 2.96 0.25 -0.56 118.68 123.63 1a30 s LEU 23 Ca -0.14 0.63 -0.28 0.00 -0.22 0.00 0.00 54.13 54.12 1a30 s LEU 23 Cb -0.09 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.93 1a30 s LEU 23 CO -0.01 -0.18 1.55 -0.76 -1.32 0.00 0.00 176.35 175.64 1a30 s LEU 24 N 1.67 3.42 -0.36 -0.68 1.43 -0.10 -0.69 118.68 123.37 1a30 s LEU 24 Ca 0.23 0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 53.82 1a30 s LEU 24 Cb -0.15 -3.10 0.07 0.00 0.03 0.00 0.00 46.19 43.04 1a30 s LEU 24 CO 0.09 -1.79 0.12 -0.62 0.23 0.00 0.00 176.35 174.38 1a30 s ASP 25 N 5.26 5.17 0.14 2.29 -1.08 -0.40 -4.83 116.67 123.22 1a30 s ASP 25 Ca 0.60 -1.55 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 1a30 s ASP 25 Cb -0.13 -1.81 0.94 0.00 -1.46 0.00 0.00 42.92 40.46 1a30 s ASP 25 CO 0.27 -0.40 1.78 0.35 0.52 0.00 0.00 175.17 177.69 1a30 n THR 26 N 4.67 0.50 1.76 1.71 -2.24 -1.26 -2.45 114.28 116.96 1a30 n THR 26 Ca -0.09 -0.08 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1a30 n THR 26 Cb 0.43 -0.69 0.75 0.00 -2.10 0.00 0.00 70.33 68.72 1a30 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a30 n GLY 27 N 1.05 -0.57 3.44 3.38 0.00 -1.26 -4.80 105.19 106.43 1a30 n GLY 27 Ca 0.05 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1a30 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a30 s ALA 28 N -2.02 2.97 0.10 4.61 0.00 -1.03 -5.00 121.76 121.40 1a30 s ALA 28 Ca 0.43 -0.96 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 1a30 s ALA 28 Cb 0.21 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.61 1a30 s ALA 28 CO 0.36 -0.06 1.54 -0.44 0.00 0.00 0.00 175.76 177.16 1a30 h ASP 29 N 7.29 0.57 -1.77 0.00 3.32 -1.87 0.17 116.42 124.13 1a30 h ASP 29 Ca -0.35 -0.32 -0.58 0.00 0.02 0.00 0.00 57.03 55.80 1a30 h ASP 29 Cb 1.18 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 1a30 h ASP 29 CO 0.61 0.75 -0.57 -1.81 -1.72 0.00 0.00 179.24 176.51 1a30 s ASP 30 N -6.10 4.25 -0.31 6.45 1.01 -1.26 -2.59 116.67 118.12 1a30 s ASP 30 Ca -0.13 -1.06 -0.15 0.00 0.71 0.00 0.00 52.55 51.92 1a30 s ASP 30 Cb 0.09 -0.51 -0.02 0.00 1.01 0.00 0.00 42.92 43.49 1a30 s ASP 30 CO 0.77 -0.37 0.38 -0.89 0.21 0.00 0.00 175.17 175.27 1a30 s THR 31 N -2.57 5.16 -0.13 -1.27 2.01 -1.26 -3.13 115.64 114.45 1a30 s THR 31 Ca 0.37 0.31 0.02 0.00 0.31 0.00 0.00 61.69 62.70 1a30 s THR 31 Cb 0.02 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1a30 s THR 31 CO 0.20 0.02 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.27 1a30 s VAL 32 N 2.07 2.44 0.12 3.82 1.01 -0.78 -0.39 120.40 128.70 1a30 s VAL 32 Ca 0.14 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1a30 s VAL 32 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1a30 s VAL 32 CO 0.11 0.54 -0.17 -0.63 0.00 0.00 0.00 175.10 174.94 1a30 s ILE 33 N 0.62 2.87 0.77 2.22 -1.09 0.11 -0.92 121.20 125.78 1a30 s ILE 33 Ca -0.10 -1.52 -0.12 0.00 -2.23 0.00 0.00 60.65 56.68 1a30 s ILE 33 Cb -0.16 -2.33 0.06 0.00 -1.58 0.00 0.00 42.46 38.45 1a30 s ILE 33 CO 0.03 0.08 1.11 -1.61 -1.23 0.00 0.00 174.94 173.32 1a30 s GLU 34 N -2.21 2.17 -0.35 2.79 2.02 -1.26 -1.95 118.70 119.91 1a30 s GLU 34 Ca 0.19 1.31 -0.43 0.00 0.02 0.00 0.00 54.97 56.05 1a30 s GLU 34 Cb -0.10 -1.88 -0.18 0.00 0.10 0.00 0.00 34.13 32.07 1a30 s GLU 34 CO 0.11 -1.73 1.63 -1.91 0.02 0.00 0.00 175.26 173.38 1a30 n GLU 35 N -3.36 0.58 -3.83 1.61 4.07 -1.25 -4.70 120.64 113.78 1a30 n GLU 35 Ca 0.10 0.21 -0.09 0.00 -0.06 0.00 0.00 57.16 57.32 1a30 n GLU 35 Cb 0.52 -1.80 0.02 0.00 -0.06 0.00 0.00 31.44 30.12 1a30 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a30 s MET 36 N 3.01 2.22 -0.21 5.31 0.23 -1.26 -5.07 119.30 123.53 1a30 s MET 36 Ca 1.00 -1.47 -0.08 0.00 -1.03 0.00 0.00 55.69 54.11 1a30 s MET 36 Cb -1.27 0.61 -0.04 0.00 -1.53 0.00 0.00 34.83 32.60 1a30 s MET 36 CO 0.72 -1.03 0.10 0.45 -2.03 0.00 0.00 175.02 173.22 1a30 s SER 37 N -3.08 5.73 0.00 -1.18 0.15 -1.26 -5.08 113.70 108.97 1a30 s SER 37 Ca 0.17 0.05 0.05 0.00 0.70 0.00 0.00 55.95 56.92 1a30 s SER 37 Cb -0.05 -2.01 -0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1a30 s SER 37 CO 0.12 0.11 -0.17 -0.76 1.20 0.00 0.00 173.24 173.74 1a30 s LEU 38 N 0.79 2.06 0.74 3.45 1.43 -1.26 -5.04 118.68 120.85 1a30 s LEU 38 Ca 0.05 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 1a30 s LEU 38 Cb -0.13 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.29 1a30 s LEU 38 CO 0.02 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.70 1a30 s PRO 39 N -0.57 2.50 0.00 1.29 0.04 -1.26 -4.94 135.00 132.06 1a30 s PRO 39 Ca 0.06 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1a30 s PRO 39 Cb -0.07 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1a30 s PRO 39 CO -0.00 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 176.00 1a30 n GLY 40 N -1.46 -0.66 3.90 0.56 0.00 -1.26 -4.98 105.19 101.29 1a30 n GLY 40 Ca 0.09 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 1a30 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a30 s ARG 41 N -1.31 3.09 0.09 1.61 0.52 -1.26 -5.10 118.95 116.59 1a30 s ARG 41 Ca 0.00 0.29 0.02 0.00 -0.52 0.00 0.00 55.73 55.52 1a30 s ARG 41 Cb 0.00 -2.18 -0.04 0.00 0.52 0.00 0.00 34.95 33.25 1a30 s ARG 41 CO 0.00 -0.72 -0.07 1.67 0.02 0.00 0.00 175.30 176.20 1a30 s TRP 42 N -3.11 0.86 0.24 -0.53 1.48 -1.26 -4.64 118.94 111.99 1a30 s TRP 42 Ca 0.55 -0.87 0.11 0.00 -1.06 0.00 0.00 56.10 54.83 1a30 s TRP 42 Cb -0.11 -0.50 -0.05 0.00 -1.16 0.00 0.00 33.47 31.65 1a30 s TRP 42 CO 0.49 -0.14 -0.21 0.15 -4.06 0.00 0.00 176.95 173.17 1a30 s LYS 43 N -3.57 1.58 0.50 3.25 1.02 -0.84 -4.89 119.74 116.80 1a30 s LYS 43 Ca 0.09 -1.66 -0.19 0.00 0.02 0.00 0.00 55.97 54.23 1a30 s LYS 43 Cb 0.04 -1.72 -0.08 0.00 -0.52 0.00 0.00 37.83 35.55 1a30 s LYS 43 CO -0.04 0.34 1.02 -1.25 -0.92 0.00 0.00 175.35 174.50 1a30 s PRO 44 N -3.22 3.77 -0.27 -1.68 0.04 -1.26 -0.76 135.00 131.62 1a30 s PRO 44 Ca 0.26 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.31 1a30 s PRO 44 Cb -0.06 -2.10 0.07 0.00 0.04 0.00 0.00 34.50 32.46 1a30 s PRO 44 CO 0.12 -0.44 0.71 0.21 0.04 0.00 0.00 177.00 177.65 1a30 s LYS 45 N -3.50 0.83 -0.11 4.56 2.47 -1.06 -4.82 119.74 118.10 1a30 s LYS 45 Ca 0.65 1.02 0.01 0.00 -1.56 0.00 0.00 55.97 56.09 1a30 s LYS 45 Cb -0.15 0.38 -0.01 0.00 -1.46 0.00 0.00 37.83 36.59 1a30 s LYS 45 CO 0.24 -0.10 -0.15 1.41 0.16 0.00 0.00 175.35 176.90 1a30 s MET 46 N 0.50 3.15 0.04 4.03 -2.45 -1.26 -0.84 119.30 122.47 1a30 s MET 46 Ca -0.01 -0.73 0.06 0.00 -1.25 0.00 0.00 55.69 53.77 1a30 s MET 46 Cb -0.05 -2.52 -0.02 0.00 1.25 0.00 0.00 34.83 33.49 1a30 s MET 46 CO -0.01 0.29 -0.18 0.96 1.05 0.00 0.00 175.02 177.12 1a30 s ILE 47 N 0.14 1.47 0.06 10.11 -4.36 -0.69 -4.99 121.20 122.94 1a30 s ILE 47 Ca -0.08 -1.12 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 1a30 s ILE 47 Cb -0.15 -1.29 -0.04 0.00 1.25 0.00 0.00 42.46 42.23 1a30 s ILE 47 CO 0.05 0.14 0.09 -0.83 0.24 0.00 0.00 174.94 174.64 1a30 s GLY 48 N -1.14 2.03 0.00 6.27 0.00 -1.26 -1.48 107.32 111.75 1a30 s GLY 48 Ca 0.06 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1a30 s GLY 48 CO 0.02 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1a30 n GLY 49 N 0.64 4.74 0.32 0.20 0.00 0.53 -4.99 105.19 106.63 1a30 n GLY 49 Ca -0.09 -1.49 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 1a30 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1a30 h ILE 50 N 0.34 1.26 0.00 -0.61 6.09 -2.02 -3.16 117.51 119.41 1a30 h ILE 50 Ca 0.00 -0.88 0.00 0.00 -1.37 0.00 0.00 64.86 62.61 1a30 h ILE 50 Cb 0.00 0.46 0.00 0.00 0.47 0.00 0.00 36.82 37.75 1a30 h ILE 50 CO 0.00 0.35 -0.65 0.61 -3.07 0.00 0.00 178.15 175.39 1a30 n GLY 51 N -0.77 -1.36 0.00 8.18 0.00 -1.26 -5.06 105.19 104.93 1a30 n GLY 51 Ca 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1a30 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a30 n GLY 52 N 1.38 0.23 3.59 -0.02 0.00 -1.19 -5.12 105.19 104.05 1a30 n GLY 52 Ca 0.04 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1a30 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a30 s PHE 53 N -3.92 2.77 0.07 1.61 0.40 -1.26 -0.35 117.98 117.30 1a30 s PHE 53 Ca 0.00 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.21 1a30 s PHE 53 Cb 0.00 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1a30 s PHE 53 CO 0.00 0.44 -0.07 0.96 0.70 0.00 0.00 175.22 177.24 1a30 s ILE 54 N -1.24 0.64 -0.05 0.64 -4.36 -0.55 -4.99 121.20 111.29 1a30 s ILE 54 Ca 0.22 -1.54 -0.12 0.00 -0.26 0.00 0.00 60.65 58.94 1a30 s ILE 54 Cb -0.11 -1.20 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1a30 s ILE 54 CO 0.14 -0.64 0.31 -0.54 0.24 0.00 0.00 174.94 174.46 1a30 s LYS 55 N -2.79 3.80 0.12 0.37 -0.14 -1.26 -1.71 119.74 118.13 1a30 s LYS 55 Ca 0.02 0.21 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 1a30 s LYS 55 Cb -0.02 -3.23 -0.04 0.00 -1.68 0.00 0.00 37.83 32.86 1a30 s LYS 55 CO -0.02 0.68 -0.01 0.14 -0.76 0.00 0.00 175.35 175.38 1a30 s VAL 56 N -0.91 0.44 -0.18 3.17 -7.23 -0.02 -4.52 120.40 111.14 1a30 s VAL 56 Ca 0.20 -1.92 -0.09 0.00 -1.81 0.00 0.00 61.98 58.37 1a30 s VAL 56 Cb -0.15 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 1a30 s VAL 56 CO 0.10 -0.67 0.11 -0.13 -0.31 0.00 0.00 175.10 174.19 1a30 s ARG 57 N -3.93 4.02 -0.28 4.82 0.52 0.42 -2.58 118.95 121.95 1a30 s ARG 57 Ca 0.18 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 55.04 1a30 s ARG 57 Cb 0.07 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1a30 s ARG 57 CO -0.01 0.36 0.17 -1.14 0.02 0.00 0.00 175.30 174.69 1a30 s GLN 58 N 0.17 3.83 -0.18 3.54 0.74 0.06 -0.85 119.66 126.97 1a30 s GLN 58 Ca 0.08 -0.39 -0.03 0.00 0.05 0.00 0.00 55.36 55.06 1a30 s GLN 58 Cb -0.11 -3.61 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 1a30 s GLN 58 CO -0.01 -0.21 -0.05 0.71 -0.55 0.00 0.00 175.29 175.18 1a30 s TYR 59 N 1.73 2.96 0.27 1.67 1.51 -0.30 -1.98 117.35 123.20 1a30 s TYR 59 Ca 0.07 -0.63 -0.00 0.00 -1.01 0.00 0.00 57.07 55.49 1a30 s TYR 59 Cb -0.16 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1a30 s TYR 59 CO 0.09 -0.30 0.47 -0.51 -1.11 0.00 0.00 175.55 174.19 1a30 s ASP 60 N 0.90 6.36 -1.30 2.29 1.01 -1.26 -0.83 116.67 123.84 1a30 s ASP 60 Ca -0.01 0.44 -0.06 0.00 0.71 0.00 0.00 52.55 53.63 1a30 s ASP 60 Cb -0.15 -2.03 -0.00 0.00 1.01 0.00 0.00 42.92 41.76 1a30 s ASP 60 CO 0.01 -0.16 0.61 1.67 0.21 0.00 0.00 175.17 177.51 1a30 n GLN 61 N -1.15 -3.21 -3.70 8.23 7.27 -1.09 -4.90 117.38 118.83 1a30 n GLN 61 Ca -0.05 0.49 -0.35 0.00 0.07 0.00 0.00 57.00 57.16 1a30 n GLN 61 Cb 0.55 -4.64 -0.08 0.00 2.41 0.00 0.00 30.24 28.48 1a30 n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1a30 s ILE 62 N -3.73 5.40 -0.05 1.69 -1.09 0.63 -4.74 121.20 119.30 1a30 s ILE 62 Ca 0.13 0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.50 1a30 s ILE 62 Cb -0.05 -3.49 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 1a30 s ILE 62 CO 0.86 0.43 1.09 -0.63 -1.23 0.00 0.00 174.94 175.46 1a30 s ILE 63 N 0.36 4.52 -0.12 2.92 1.01 -1.26 -1.81 121.20 126.82 1a30 s ILE 63 Ca 0.09 1.82 -0.05 0.00 0.00 0.00 0.00 60.65 62.51 1a30 s ILE 63 Cb -0.11 -4.17 0.06 0.00 0.01 0.00 0.00 42.46 38.25 1a30 s ILE 63 CO -0.01 0.04 0.26 -0.51 0.00 0.00 0.00 174.94 174.72 1a30 s ILE 64 N 1.81 -0.24 -0.30 2.92 2.07 0.01 -4.40 121.20 123.06 1a30 s ILE 64 Ca 0.53 0.22 -0.20 0.00 -1.41 0.00 0.00 60.65 59.79 1a30 s ILE 64 Cb -0.22 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 1a30 s ILE 64 CO 0.22 0.09 0.63 -0.70 -1.91 0.00 0.00 174.94 173.28 1a30 s GLU 65 N 1.90 3.92 -0.30 3.50 2.56 0.21 -1.22 118.70 129.28 1a30 s GLU 65 Ca -0.04 0.33 -0.01 0.00 0.00 0.00 0.00 54.97 55.25 1a30 s GLU 65 Cb -0.11 -3.72 0.05 0.00 2.00 0.00 0.00 34.13 32.35 1a30 s GLU 65 CO -0.09 -0.56 -0.01 0.42 -0.56 0.00 0.00 175.26 174.47 1a30 s ILE 66 N 2.60 2.93 -1.38 -3.70 1.01 0.99 -0.10 121.20 123.55 1a30 s ILE 66 Ca 0.25 -1.41 -0.05 0.00 0.00 0.00 0.00 60.65 59.44 1a30 s ILE 66 Cb -0.15 -2.69 0.03 0.00 0.01 0.00 0.00 42.46 39.66 1a30 s ILE 66 CO 0.11 -0.11 0.82 0.00 0.00 0.00 0.00 174.94 175.76 1a30 n GLY 68 N -1.63 2.75 3.78 0.00 0.00 -1.26 -5.01 105.19 103.83 1a30 n GLY 68 Ca -0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 1a30 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a30 s HIS 69 N -2.19 3.51 -0.16 1.61 4.02 -0.19 -5.07 115.29 116.82 1a30 s HIS 69 Ca 0.00 0.55 -0.19 0.00 1.02 0.00 0.00 55.06 56.43 1a30 s HIS 69 Cb 0.00 -2.18 -0.03 0.00 -1.02 0.00 0.00 32.58 29.35 1a30 s HIS 69 CO 0.00 0.43 0.54 0.21 1.02 0.00 0.00 174.74 176.94 1a30 s LYS 70 N -0.14 4.26 0.13 1.40 2.47 -1.26 -0.01 119.74 126.60 1a30 s LYS 70 Ca 0.14 0.50 0.09 0.00 -1.56 0.00 0.00 55.97 55.14 1a30 s LYS 70 Cb -0.13 -3.51 -0.04 0.00 -1.46 0.00 0.00 37.83 32.69 1a30 s LYS 70 CO 0.03 -0.05 -0.22 0.00 0.16 0.00 0.00 175.35 175.28 1a30 s ALA 71 N 1.28 2.01 -0.19 3.13 0.00 -0.35 -4.90 121.76 122.75 1a30 s ALA 71 Ca 0.27 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.82 1a30 s ALA 71 Cb -0.16 -0.27 0.06 0.00 0.00 0.00 0.00 23.12 22.76 1a30 s ALA 71 CO 0.11 0.38 0.08 0.42 0.00 0.00 0.00 175.76 176.75 1a30 s ILE 72 N -1.33 0.07 0.00 0.00 1.01 -1.26 -0.81 121.20 118.87 1a30 s ILE 72 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.44 1a30 s ILE 72 Cb -0.09 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.66 1a30 s ILE 72 CO 0.05 -0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1a30 n GLY 73 N 5.22 2.43 3.71 6.18 0.00 -0.75 -4.78 105.19 117.19 1a30 n GLY 73 Ca -0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 1a30 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a30 s THR 74 N -2.62 4.48 -0.08 2.61 2.01 -1.26 -0.27 115.64 120.52 1a30 s THR 74 Ca 0.00 1.78 0.03 0.00 0.31 0.00 0.00 61.69 63.81 1a30 s THR 74 Cb 0.00 -4.14 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1a30 s THR 74 CO 0.00 0.11 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.19 1a30 s VAL 75 N 1.24 1.48 -0.13 3.82 1.01 -0.01 -4.49 120.40 123.32 1a30 s VAL 75 Ca 0.55 -0.69 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1a30 s VAL 75 Cb -0.24 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1a30 s VAL 75 CO 0.27 0.43 0.07 -0.76 0.00 0.00 0.00 175.10 175.11 1a30 s LEU 76 N 0.52 3.92 -0.13 3.92 1.43 0.48 -1.15 118.68 127.66 1a30 s LEU 76 Ca -0.16 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.17 1a30 s LEU 76 Cb -0.16 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1a30 s LEU 76 CO 0.06 0.31 -0.16 -0.69 0.23 0.00 0.00 176.35 176.10 1a30 s VAL 77 N -0.45 2.76 -0.05 -1.59 1.01 -0.03 0.04 120.40 122.09 1a30 s VAL 77 Ca 0.10 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.16 1a30 s VAL 77 Cb -0.12 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1a30 s VAL 77 CO 0.02 0.53 0.69 0.61 0.00 0.00 0.00 175.10 176.95 1a30 n GLY 78 N 3.63 0.24 2.93 4.51 0.00 -0.82 -0.43 105.19 115.25 1a30 n GLY 78 Ca -0.18 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1a30 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1a30 n PRO 79 N -0.50 1.94 -3.79 1.61 -0.04 -1.26 -3.76 135.00 129.19 1a30 n PRO 79 Ca 0.03 -1.98 -0.36 0.00 -0.04 0.00 0.00 63.50 61.15 1a30 n PRO 79 Cb 0.29 -2.95 -0.06 0.00 -0.04 0.00 0.00 33.50 30.75 1a30 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1a30 s THR 80 N 4.33 5.38 0.28 0.52 -1.32 -1.26 -5.01 115.64 118.56 1a30 s THR 80 Ca 0.53 0.26 0.01 0.00 -1.21 0.00 0.00 61.69 61.28 1a30 s THR 80 Cb 0.14 -3.50 0.28 0.00 -1.51 0.00 0.00 72.50 67.91 1a30 s THR 80 CO 0.05 0.52 1.86 -0.65 -2.21 0.00 0.00 174.62 174.19 1a30 h PRO 81 N 4.57 1.01 -3.68 7.08 0.11 -1.99 -3.44 132.00 135.67 1a30 h PRO 81 Ca -0.53 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.43 1a30 h PRO 81 Cb 1.22 -0.23 -0.15 0.00 0.11 0.00 0.00 31.00 31.94 1a30 h PRO 81 CO 0.62 0.67 -0.36 0.14 -0.21 0.00 0.00 178.00 178.85 1a30 s VAL 82 N -5.96 0.13 0.14 3.15 -7.23 -1.26 -5.10 120.40 104.26 1a30 s VAL 82 Ca -0.12 -1.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.71 1a30 s VAL 82 Cb 0.21 -1.15 -0.08 0.00 0.56 0.00 0.00 36.38 35.92 1a30 s VAL 82 CO 0.81 -0.57 1.32 0.20 -0.31 0.00 0.00 175.10 176.55 1a30 s ASN 83 N -2.53 6.90 -0.04 4.85 0.01 -1.26 -4.82 114.94 118.05 1a30 s ASN 83 Ca 0.01 2.30 0.04 0.00 -0.71 0.00 0.00 52.86 54.49 1a30 s ASN 83 Cb 0.02 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1a30 s ASN 83 CO -0.08 -0.57 -0.15 0.27 -1.51 0.00 0.00 177.10 175.06 1a30 s ILE 84 N 0.70 1.31 -0.43 0.60 -4.36 -0.09 -0.58 121.20 118.34 1a30 s ILE 84 Ca 0.60 -0.64 -0.16 0.00 -0.26 0.00 0.00 60.65 60.19 1a30 s ILE 84 Cb -0.35 -1.14 0.03 0.00 1.25 0.00 0.00 42.46 42.25 1a30 s ILE 84 CO 0.33 0.38 0.40 -0.63 0.24 0.00 0.00 174.94 175.66 1a30 s ILE 85 N 0.15 5.15 0.81 8.37 -1.09 0.13 -1.86 121.20 132.86 1a30 s ILE 85 Ca -0.06 -0.54 -0.07 0.00 -2.23 0.00 0.00 60.65 57.75 1a30 s ILE 85 Cb -0.12 -4.03 0.15 0.00 -1.58 0.00 0.00 42.46 36.88 1a30 s ILE 85 CO 0.02 -0.42 1.12 -0.83 -1.23 0.00 0.00 174.94 173.60 1a30 s GLY 86 N 1.89 1.76 0.54 6.18 0.00 -1.18 -1.28 107.32 115.22 1a30 s GLY 86 Ca 0.09 -1.42 0.26 0.00 0.00 0.00 0.00 44.72 43.65 1a30 s GLY 86 CO 0.12 -0.79 1.99 3.21 0.00 0.00 0.00 173.10 177.63 1a30 h ARG 87 N -0.97 0.00 -0.55 2.90 3.08 -0.62 -1.68 114.38 116.54 1a30 h ARG 87 Ca -0.41 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.68 1a30 h ARG 87 Cb 1.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 1a30 h ARG 87 CO 0.42 0.00 0.36 -2.95 -1.07 0.00 0.00 179.97 176.73 1a30 h ASN 88 N 0.00 0.53 0.00 7.04 -1.07 -1.76 -1.61 115.58 118.71 1a30 h ASN 88 Ca 0.25 -0.01 -0.16 0.00 0.07 0.00 0.00 56.30 56.45 1a30 h ASN 88 Cb 1.02 -0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 37.12 1a30 h ASN 88 CO -0.00 0.36 -2.11 0.18 0.07 0.00 0.00 177.43 175.93 1a30 n LEU 89 N -4.47 0.00 0.02 6.14 4.77 -0.76 -4.10 117.00 118.60 1a30 n LEU 89 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1a30 n LEU 89 Cb 0.16 0.22 0.33 0.00 -2.33 0.00 0.00 43.42 41.79 1a30 n LEU 89 CO 0.35 0.22 0.96 -0.07 -1.33 0.00 0.00 177.39 177.51 1a30 h LEU 90 N 0.00 0.45 -0.83 2.23 3.38 -1.02 -1.41 115.31 118.11 1a30 h LEU 90 Ca -0.24 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.54 1a30 h LEU 90 Cb 1.51 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 1a30 h LEU 90 CO 0.01 0.51 -0.46 0.71 0.09 0.00 0.00 178.44 179.30 1a30 h THR 91 N 0.47 1.33 -0.23 0.22 1.35 -1.48 -0.46 112.91 114.11 1a30 h THR 91 Ca 0.11 -1.65 -0.07 0.00 -0.55 0.00 0.00 66.41 64.25 1a30 h THR 91 Cb 0.28 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1a30 h THR 91 CO 0.01 0.49 -0.15 1.56 -0.25 0.00 0.00 175.52 177.18 1a30 h GLN 92 N 0.23 0.39 -0.16 4.72 4.20 -1.42 -2.09 115.11 120.99 1a30 h GLN 92 Ca 0.01 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1a30 h GLN 92 Cb 0.91 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1a30 h GLN 92 CO 0.07 0.53 0.00 0.44 -0.67 0.00 0.00 178.83 179.21 1a30 n ILE 93 N -4.21 0.19 -2.91 2.54 -5.35 -0.99 -4.95 119.36 103.67 1a30 n ILE 93 Ca 0.00 -0.40 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 1a30 n ILE 93 Cb 0.31 0.59 0.03 0.00 -1.74 0.00 0.00 39.64 38.84 1a30 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1a30 n GLY 94 N 1.22 0.24 3.78 3.28 0.00 -0.78 -5.02 105.19 107.90 1a30 n GLY 94 Ca 0.17 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 1a30 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a30 s THR 96 N -0.46 0.46 -0.09 0.00 -4.23 -1.26 -4.65 115.64 105.41 1a30 s THR 96 Ca 0.30 -1.93 -0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1a30 s THR 96 Cb -0.18 -1.92 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1a30 s THR 96 CO 0.17 -0.64 0.14 -0.76 -0.54 0.00 0.00 174.62 173.00 1a30 s LEU 97 N -3.07 4.34 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.78 1a30 s LEU 97 Ca 0.19 0.42 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1a30 s LEU 97 Cb 0.07 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1a30 s LEU 97 CO -0.01 0.38 0.05 0.20 0.23 0.00 0.00 176.35 177.20 1a30 s ASN 98 N -1.23 -0.05 0.00 2.29 0.01 -1.26 -5.29 114.94 109.41 1a30 s ASN 98 Ca 0.18 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.43 1a30 s ASN 98 Cb -0.12 0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.63 1a30 s ASN 98 CO 0.07 -0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.85