#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c70 s GLN 2 N 0.00 3.74 -0.20 0.54 0.74 -1.26 -5.09 119.66 118.12 1c70 s GLN 2 Ca 0.00 -0.46 -0.03 0.00 0.05 0.00 0.00 55.36 54.92 1c70 s GLN 2 Cb 0.00 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.92 1c70 s GLN 2 CO 0.00 0.04 -0.05 0.42 -0.55 0.00 0.00 175.29 175.16 1c70 s ILE 3 N 0.96 3.43 0.53 -2.34 -1.09 -1.26 -5.12 121.20 116.30 1c70 s ILE 3 Ca 0.03 -0.48 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 1c70 s ILE 3 Cb -0.14 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.19 1c70 s ILE 3 CO 0.02 0.44 0.82 0.42 -1.23 0.00 0.00 174.94 175.41 1c70 s THR 4 N 1.20 4.20 -0.44 2.92 -4.23 -1.26 -5.03 115.64 113.01 1c70 s THR 4 Ca 0.02 -0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.57 1c70 s THR 4 Cb -0.14 -3.62 0.51 0.00 1.34 0.00 0.00 72.50 70.59 1c70 s THR 4 CO -0.01 -0.59 1.67 0.18 -0.54 0.00 0.00 174.62 175.32 1c70 n LEU 5 N -2.38 5.86 0.12 4.79 4.77 -1.26 -4.53 117.00 124.37 1c70 n LEU 5 Ca 0.02 -4.10 -0.24 0.00 -0.03 0.00 0.00 56.01 51.67 1c70 n LEU 5 Cb 0.57 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.79 1c70 n LEU 5 CO 0.52 1.46 -0.15 -0.50 -1.33 0.00 0.00 177.39 177.40 1c70 h TRP 6 N 1.54 0.97 -1.69 -1.77 4.06 -2.06 -3.45 115.95 113.55 1c70 h TRP 6 Ca 0.45 -0.67 -0.48 0.00 2.06 0.00 0.00 58.89 60.25 1c70 h TRP 6 Cb 1.61 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 29.69 1c70 h TRP 6 CO 1.23 1.51 -0.40 -0.65 -3.56 0.00 0.00 178.44 176.58 1c70 s GLN 7 N -2.75 2.70 0.21 0.49 1.11 -1.26 -5.08 119.66 115.07 1c70 s GLN 7 Ca -0.10 -1.35 -0.32 0.00 0.01 0.00 0.00 55.36 53.60 1c70 s GLN 7 Cb 0.04 -2.50 -0.13 0.00 -1.01 0.00 0.00 33.01 29.41 1c70 s GLN 7 CO 0.93 -0.04 1.56 0.54 0.01 0.00 0.00 175.29 178.29 1c70 n ARG 8 N -1.50 2.29 -2.07 2.91 1.74 -1.26 -4.87 116.66 113.90 1c70 n ARG 8 Ca 0.01 0.82 -0.39 0.00 -0.77 0.00 0.00 57.85 57.52 1c70 n ARG 8 Cb 0.60 -2.58 -0.02 0.00 -1.02 0.00 0.00 32.46 29.44 1c70 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1c70 n PRO 9 N 2.99 2.49 -3.33 5.56 -0.04 -1.26 -4.94 135.00 136.48 1c70 n PRO 9 Ca 0.14 -2.73 -0.38 0.00 -0.04 0.00 0.00 63.50 60.49 1c70 n PRO 9 Cb 0.31 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 1c70 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1c70 s LEU 10 N 5.02 4.47 0.11 1.53 2.01 -1.26 -0.84 118.68 129.73 1c70 s LEU 10 Ca 0.57 1.18 -0.02 0.00 0.01 0.00 0.00 54.13 55.86 1c70 s LEU 10 Cb 0.06 -2.95 -0.04 0.00 0.01 0.00 0.00 46.19 43.27 1c70 s LEU 10 CO 0.06 0.24 0.06 0.68 1.01 0.00 0.00 176.35 178.40 1c70 s VAL 11 N -1.20 0.13 -0.14 -1.59 -7.23 0.89 -4.93 120.40 106.32 1c70 s VAL 11 Ca 0.31 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 1c70 s VAL 11 Cb -0.18 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 1c70 s VAL 11 CO 0.18 -0.59 0.41 -0.89 -0.31 0.00 0.00 175.10 173.90 1c70 s THR 12 N -4.00 5.23 0.05 5.32 2.01 -1.26 -0.31 115.64 122.68 1c70 s THR 12 Ca 0.19 0.79 0.05 0.00 0.31 0.00 0.00 61.69 63.03 1c70 s THR 12 Cb 0.07 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1c70 s THR 12 CO -0.02 0.34 -0.09 0.27 -0.69 0.00 0.00 174.62 174.43 1c70 s ILE 13 N 0.61 3.42 -0.19 1.82 -4.36 0.17 -3.29 121.20 119.39 1c70 s ILE 13 Ca 0.22 -1.02 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 1c70 s ILE 13 Cb -0.14 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1c70 s ILE 13 CO 0.08 0.27 -0.03 -0.75 0.24 0.00 0.00 174.94 174.75 1c70 s LYS 14 N -1.73 3.55 -0.17 0.37 2.20 -0.83 -1.19 119.74 121.94 1c70 s LYS 14 Ca 0.19 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.19 1c70 s LYS 14 Cb -0.11 -2.98 0.08 0.00 -1.51 0.00 0.00 37.83 33.32 1c70 s LYS 14 CO 0.10 0.04 0.26 -1.50 -0.36 0.00 0.00 175.35 173.88 1c70 s ILE 15 N 0.90 -0.40 -1.28 5.43 1.10 -0.01 -1.64 121.20 125.29 1c70 s ILE 15 Ca -0.00 0.09 -0.01 0.00 -0.51 0.00 0.00 60.65 60.22 1c70 s ILE 15 Cb -0.15 -0.57 -0.00 0.00 0.15 0.00 0.00 42.46 41.89 1c70 s ILE 15 CO 0.01 -0.03 0.74 0.61 -2.11 0.00 0.00 174.94 174.16 1c70 n GLY 16 N 5.34 -0.34 4.21 1.50 0.00 -1.26 -1.72 105.19 112.92 1c70 n GLY 16 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1c70 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c70 n GLY 17 N -1.52 1.20 3.74 -0.02 0.00 -1.26 -4.94 105.19 102.38 1c70 n GLY 17 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1c70 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1c70 s GLN 18 N 0.00 4.43 -0.33 1.61 -0.21 -0.70 -5.01 119.66 119.46 1c70 s GLN 18 Ca 0.00 1.98 -0.12 0.00 0.02 0.00 0.00 55.36 57.24 1c70 s GLN 18 Cb 0.00 -3.21 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 1c70 s GLN 18 CO 0.00 -0.18 0.22 -0.51 -2.12 0.00 0.00 175.29 172.71 1c70 s LEU 19 N -0.20 4.40 0.31 2.90 1.02 -1.26 -0.83 118.68 125.02 1c70 s LEU 19 Ca 0.55 -0.35 0.10 0.00 0.02 0.00 0.00 54.13 54.45 1c70 s LEU 19 Cb -0.35 -2.13 -0.05 0.00 0.02 0.00 0.00 46.19 43.68 1c70 s LEU 19 CO 0.38 -0.20 -0.11 -0.54 0.02 0.00 0.00 176.35 175.90 1c70 s LYS 20 N 1.72 1.86 0.17 1.70 1.02 -0.33 -4.96 119.74 120.92 1c70 s LYS 20 Ca 0.06 -1.78 -0.04 0.00 0.02 0.00 0.00 55.97 54.23 1c70 s LYS 20 Cb -0.17 -1.82 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 1c70 s LYS 20 CO 0.10 0.24 0.39 -1.21 -0.92 0.00 0.00 175.35 173.96 1c70 s GLU 21 N -3.60 3.59 0.13 1.68 0.41 -1.26 -0.66 118.70 119.00 1c70 s GLU 21 Ca 0.32 -0.15 -0.20 0.00 -0.41 0.00 0.00 54.97 54.53 1c70 s GLU 21 Cb -0.02 -2.83 0.05 0.00 -1.78 0.00 0.00 34.13 29.55 1c70 s GLU 21 CO 0.17 0.43 0.50 0.00 -0.49 0.00 0.00 175.26 175.86 1c70 s ALA 22 N -1.75 -1.25 -0.22 5.21 0.00 0.58 -4.54 121.76 119.78 1c70 s ALA 22 Ca 0.41 0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 1c70 s ALA 22 Cb -0.12 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 1c70 s ALA 22 CO 0.26 -0.68 0.13 -1.17 0.00 0.00 0.00 175.76 174.30 1c70 s LEU 23 N -2.70 4.03 -0.64 0.00 2.96 -0.42 -0.08 118.68 121.83 1c70 s LEU 23 Ca 0.01 0.10 -0.26 0.00 -0.22 0.00 0.00 54.13 53.77 1c70 s LEU 23 Cb 0.00 -2.06 0.04 0.00 0.50 0.00 0.00 46.19 44.67 1c70 s LEU 23 CO -0.11 0.10 1.12 -0.76 -1.32 0.00 0.00 176.35 175.37 1c70 s LEU 24 N 0.86 3.68 -0.34 -0.68 1.43 -0.02 -1.19 118.68 122.42 1c70 s LEU 24 Ca 0.07 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1c70 s LEU 24 Cb -0.13 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.40 1c70 s LEU 24 CO 0.03 -1.54 0.11 -0.62 0.23 0.00 0.00 176.35 174.56 1c70 s ASP 25 N 3.33 5.24 0.16 2.29 3.68 -0.15 -4.82 116.67 126.40 1c70 s ASP 25 Ca 0.33 -1.31 0.26 0.00 2.13 0.00 0.00 52.55 53.97 1c70 s ASP 25 Cb -0.11 -1.84 0.91 0.00 -1.45 0.00 0.00 42.92 40.43 1c70 s ASP 25 CO 0.18 -0.36 1.80 0.35 0.13 0.00 0.00 175.17 177.27 1c70 n THR 26 N 4.75 0.48 0.99 1.71 -2.24 -1.26 -2.94 114.28 115.78 1c70 n THR 26 Ca -0.11 -0.19 0.13 0.00 -2.27 0.00 0.00 64.05 61.61 1c70 n THR 26 Cb 0.44 -0.60 0.49 0.00 -2.10 0.00 0.00 70.33 68.56 1c70 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c70 n GLY 27 N 1.27 -1.42 3.65 3.38 0.00 -1.26 -4.78 105.19 106.03 1c70 n GLY 27 Ca 0.06 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 1c70 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c70 s ALA 28 N -3.00 3.58 0.06 4.61 0.00 -1.15 -4.97 121.76 120.88 1c70 s ALA 28 Ca 0.13 -0.83 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1c70 s ALA 28 Cb 0.18 -2.45 -0.12 0.00 0.00 0.00 0.00 23.12 20.74 1c70 s ALA 28 CO 0.59 -0.31 1.45 -0.44 0.00 0.00 0.00 175.76 177.05 1c70 h ASP 29 N 7.66 0.32 -1.57 0.00 3.45 -1.88 0.16 116.42 124.55 1c70 h ASP 29 Ca -0.37 -0.36 -0.44 0.00 0.43 0.00 0.00 57.03 56.29 1c70 h ASP 29 Cb 1.17 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1c70 h ASP 29 CO 0.65 0.60 -0.32 -1.81 -1.57 0.00 0.00 179.24 176.80 1c70 s ASP 30 N -5.89 5.59 -0.18 6.45 1.01 -1.26 -3.10 116.67 119.29 1c70 s ASP 30 Ca -0.14 -0.43 -0.04 0.00 0.71 0.00 0.00 52.55 52.64 1c70 s ASP 30 Cb 0.06 -0.80 -0.03 0.00 1.01 0.00 0.00 42.92 43.16 1c70 s ASP 30 CO 0.73 -0.63 -0.02 -0.89 0.21 0.00 0.00 175.17 174.57 1c70 s THR 31 N -2.33 3.93 -0.10 -1.27 2.01 -1.26 -3.56 115.64 113.06 1c70 s THR 31 Ca 0.50 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1c70 s THR 31 Cb -0.08 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.69 1c70 s THR 31 CO 0.31 0.46 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.87 1c70 s VAL 32 N 0.69 1.39 0.15 3.82 1.01 -0.85 -0.47 120.40 126.14 1c70 s VAL 32 Ca -0.01 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.49 1c70 s VAL 32 Cb -0.14 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1c70 s VAL 32 CO 0.02 0.42 -0.18 -0.76 0.00 0.00 0.00 175.10 174.60 1c70 s LEU 33 N 1.02 2.68 0.48 3.92 2.01 0.16 -0.40 118.68 128.54 1c70 s LEU 33 Ca -0.07 -0.64 -0.22 0.00 0.01 0.00 0.00 54.13 53.22 1c70 s LEU 33 Cb -0.15 -1.47 -0.07 0.00 0.01 0.00 0.00 46.19 44.51 1c70 s LEU 33 CO -0.02 0.15 1.14 -1.61 1.01 0.00 0.00 176.35 177.03 1c70 s GLU 34 N -2.40 3.68 -0.37 1.70 2.02 -1.26 -1.27 118.70 120.81 1c70 s GLU 34 Ca 0.20 1.70 -0.20 0.00 0.02 0.00 0.00 54.97 56.69 1c70 s GLU 34 Cb -0.10 -2.30 -0.10 0.00 0.10 0.00 0.00 34.13 31.73 1c70 s GLU 34 CO 0.11 -0.60 1.22 -1.91 0.02 0.00 0.00 175.26 174.10 1c70 n GLU 35 N -0.69 0.00 -4.00 1.61 4.07 -0.89 -4.62 120.64 116.11 1c70 n GLU 35 Ca 0.08 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.09 1c70 n GLU 35 Cb 0.49 -0.77 -0.06 0.00 -0.06 0.00 0.00 31.44 31.05 1c70 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1c70 s MET 36 N 3.73 1.49 -0.21 5.31 0.23 -1.26 -5.02 119.30 123.57 1c70 s MET 36 Ca 0.65 -1.26 -0.12 0.00 -1.03 0.00 0.00 55.69 53.93 1c70 s MET 36 Cb -0.71 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.99 1c70 s MET 36 CO 0.30 -0.61 0.21 0.45 -2.03 0.00 0.00 175.02 173.34 1c70 s SER 37 N -3.02 6.23 -0.06 -1.18 0.15 -1.26 -5.00 113.70 109.56 1c70 s SER 37 Ca 0.23 0.26 0.05 0.00 0.70 0.00 0.00 55.95 57.18 1c70 s SER 37 Cb 0.00 -2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1c70 s SER 37 CO 0.08 0.07 -0.20 -0.76 1.20 0.00 0.00 173.24 173.63 1c70 s LEU 38 N 0.87 1.96 0.66 3.45 1.43 -1.26 -5.04 118.68 120.75 1c70 s LEU 38 Ca 0.11 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1c70 s LEU 38 Cb -0.13 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1c70 s LEU 38 CO 0.03 0.17 0.62 -0.81 0.23 0.00 0.00 176.35 176.59 1c70 n PRO 39 N 3.24 0.46 0.00 1.29 -0.04 -1.26 -4.94 135.00 133.74 1c70 n PRO 39 Ca -0.19 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1c70 n PRO 39 Cb 0.52 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1c70 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1c70 n GLY 40 N 1.60 0.83 3.88 0.55 0.00 -1.26 -5.02 105.19 105.77 1c70 n GLY 40 Ca 0.11 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 1c70 n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c70 s ARG 41 N -1.23 3.71 0.16 1.61 3.52 -1.26 -5.11 118.95 120.34 1c70 s ARG 41 Ca 0.00 0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.78 1c70 s ARG 41 Cb 0.00 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.55 1c70 s ARG 41 CO 0.00 0.43 -0.18 1.67 -0.81 0.00 0.00 175.30 176.41 1c70 s TRP 42 N -1.67 1.80 0.24 5.12 1.48 -1.26 -4.66 118.94 119.99 1c70 s TRP 42 Ca 0.42 -0.47 -0.01 0.00 -1.06 0.00 0.00 56.10 54.98 1c70 s TRP 42 Cb -0.12 -0.91 -0.04 0.00 -1.16 0.00 0.00 33.47 31.24 1c70 s TRP 42 CO 0.22 0.31 0.43 0.15 -4.06 0.00 0.00 176.95 174.00 1c70 s LYS 43 N -2.71 3.52 0.31 3.25 1.02 -0.90 -4.91 119.74 119.33 1c70 s LYS 43 Ca 0.15 -0.33 -0.16 0.00 0.02 0.00 0.00 55.97 55.65 1c70 s LYS 43 Cb -0.06 -2.79 -0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1c70 s LYS 43 CO 0.06 0.34 0.74 -2.14 -0.92 0.00 0.00 175.35 173.44 1c70 s PRO 44 N -3.54 4.05 0.05 -1.68 0.02 -1.26 -0.27 135.00 132.36 1c70 s PRO 44 Ca 0.39 0.72 -0.01 0.00 0.02 0.00 0.00 61.00 62.12 1c70 s PRO 44 Cb -0.11 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.89 1c70 s PRO 44 CO 0.30 0.18 -0.03 0.21 -0.33 0.00 0.00 177.00 177.33 1c70 s LYS 45 N -2.85 0.61 -0.10 5.54 2.20 -0.76 -4.86 119.74 119.52 1c70 s LYS 45 Ca 0.53 -1.22 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 1c70 s LYS 45 Cb -0.11 0.21 -0.02 0.00 -1.51 0.00 0.00 37.83 36.39 1c70 s LYS 45 CO 0.18 -0.11 -0.11 1.41 -0.36 0.00 0.00 175.35 176.35 1c70 s MET 46 N -3.92 3.07 -0.01 4.03 -2.45 -1.26 -1.91 119.30 116.85 1c70 s MET 46 Ca 0.07 -0.65 0.03 0.00 -1.25 0.00 0.00 55.69 53.90 1c70 s MET 46 Cb 0.08 -2.58 -0.01 0.00 1.25 0.00 0.00 34.83 33.57 1c70 s MET 46 CO -0.10 0.40 -0.11 0.96 1.05 0.00 0.00 175.02 177.22 1c70 s ILE 47 N -0.14 0.89 0.05 10.11 -4.36 -0.43 -4.96 121.20 122.37 1c70 s ILE 47 Ca -0.00 -0.49 0.05 0.00 -0.26 0.00 0.00 60.65 59.95 1c70 s ILE 47 Cb -0.13 -0.74 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 1c70 s ILE 47 CO 0.03 0.25 -0.08 -0.83 0.24 0.00 0.00 174.94 174.55 1c70 s GLY 48 N -0.27 1.77 0.00 6.27 0.00 -1.26 -0.89 107.32 112.93 1c70 s GLY 48 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1c70 s GLY 48 CO -0.00 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.66 1c70 n GLY 49 N 1.14 5.37 0.08 0.20 0.00 -0.86 -4.92 105.19 106.19 1c70 n GLY 49 Ca -0.14 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.45 1c70 n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1c70 h ILE 50 N 0.00 1.00 0.00 -0.61 5.03 -2.03 -3.28 117.51 117.62 1c70 h ILE 50 Ca 0.00 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.70 1c70 h ILE 50 Cb 0.00 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 34.65 1c70 h ILE 50 CO 0.00 0.02 0.00 0.61 -0.68 0.00 0.00 178.15 178.10 1c70 n GLY 51 N -1.13 -0.96 0.00 5.37 0.00 -1.26 -5.06 105.19 102.15 1c70 n GLY 51 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1c70 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c70 n GLY 52 N 0.82 2.11 3.77 -0.02 0.00 -1.24 -5.17 105.19 105.47 1c70 n GLY 52 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 1c70 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c70 s PHE 53 N -2.08 3.67 0.25 1.61 0.08 -1.26 -2.03 117.98 118.23 1c70 s PHE 53 Ca 0.00 1.78 0.07 0.00 0.12 0.00 0.00 56.93 58.90 1c70 s PHE 53 Cb 0.00 -3.04 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 1c70 s PHE 53 CO 0.00 -0.01 -0.08 0.96 -0.10 0.00 0.00 175.22 175.98 1c70 s ILE 54 N -1.42 1.63 -0.17 0.64 -4.36 -0.07 -4.94 121.20 112.49 1c70 s ILE 54 Ca 0.48 -2.15 -0.09 0.00 -0.26 0.00 0.00 60.65 58.64 1c70 s ILE 54 Cb -0.24 -2.30 -0.05 0.00 1.25 0.00 0.00 42.46 41.12 1c70 s ILE 54 CO 0.30 -0.40 0.12 -0.75 0.24 0.00 0.00 174.94 174.45 1c70 s LYS 55 N -3.71 3.93 0.19 0.37 2.20 -1.26 -1.31 119.74 120.15 1c70 s LYS 55 Ca 0.27 -0.22 0.04 0.00 -0.36 0.00 0.00 55.97 55.70 1c70 s LYS 55 Cb 0.02 -3.32 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1c70 s LYS 55 CO 0.10 0.44 -0.04 0.14 -0.36 0.00 0.00 175.35 175.62 1c70 s VAL 56 N -0.05 1.07 -0.20 4.02 -7.23 -0.80 -4.41 120.40 112.79 1c70 s VAL 56 Ca 0.09 -2.04 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1c70 s VAL 56 Cb -0.11 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 1c70 s VAL 56 CO -0.00 -0.51 0.05 -0.13 -0.31 0.00 0.00 175.10 174.20 1c70 s ARG 57 N -3.82 3.83 -0.39 4.82 0.52 -0.45 -1.84 118.95 121.63 1c70 s ARG 57 Ca 0.23 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.86 1c70 s ARG 57 Cb 0.04 -3.21 0.01 0.00 0.52 0.00 0.00 34.95 32.31 1c70 s ARG 57 CO 0.05 0.12 0.48 -1.14 0.02 0.00 0.00 175.30 174.83 1c70 s GLN 58 N 0.78 3.36 -0.19 3.54 0.74 0.63 -0.83 119.66 127.68 1c70 s GLN 58 Ca 0.03 -0.47 -0.07 0.00 0.05 0.00 0.00 55.36 54.90 1c70 s GLN 58 Cb -0.14 -3.89 -0.04 0.00 1.10 0.00 0.00 33.01 30.05 1c70 s GLN 58 CO 0.02 -0.76 0.05 0.71 -0.55 0.00 0.00 175.29 174.77 1c70 s TYR 59 N 2.29 3.20 0.18 1.67 1.51 -0.18 -2.12 117.35 123.90 1c70 s TYR 59 Ca 0.15 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.22 1c70 s TYR 59 Cb -0.16 -2.09 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 1c70 s TYR 59 CO 0.14 0.06 0.29 -0.51 -1.11 0.00 0.00 175.55 174.42 1c70 s ASP 60 N 0.55 6.22 -1.36 2.29 -0.00 -1.26 -1.27 116.67 121.83 1c70 s ASP 60 Ca 0.02 0.10 -0.09 0.00 -0.00 0.00 0.00 52.55 52.58 1c70 s ASP 60 Cb -0.13 -1.83 0.01 0.00 -0.00 0.00 0.00 42.92 40.97 1c70 s ASP 60 CO 0.01 0.01 0.42 0.00 -0.00 0.00 0.00 175.17 175.62 1c70 n GLN 61 N -0.81 -1.84 -3.87 8.23 1.13 -1.05 -4.90 117.38 114.27 1c70 n GLN 61 Ca -0.08 0.28 -0.34 0.00 -1.94 0.00 0.00 57.00 54.92 1c70 n GLN 61 Cb 0.55 -3.88 -0.05 0.00 0.11 0.00 0.00 30.24 26.97 1c70 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1c70 s ILE 62 N -3.91 5.42 -0.24 5.09 -1.09 0.15 -4.75 121.20 121.87 1c70 s ILE 62 Ca 0.16 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.42 1c70 s ILE 62 Cb -0.07 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1c70 s ILE 62 CO 0.93 0.38 0.30 -0.22 -1.23 0.00 0.00 174.94 175.10 1c70 s LEU 63 N -1.75 4.10 0.03 2.97 2.96 -1.26 -1.04 118.68 124.69 1c70 s LEU 63 Ca 0.25 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.52 1c70 s LEU 63 Cb -0.13 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 1c70 s LEU 63 CO 0.16 -0.06 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.27 1c70 s ILE 64 N 1.49 1.82 -0.35 6.68 1.01 -0.04 -4.55 121.20 127.26 1c70 s ILE 64 Ca 0.13 -1.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 1c70 s ILE 64 Cb -0.15 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1c70 s ILE 64 CO 0.08 0.31 0.16 -0.70 0.00 0.00 0.00 174.94 174.78 1c70 s GLU 65 N -1.07 2.87 -0.37 2.79 2.12 -0.65 -0.64 118.70 123.75 1c70 s GLU 65 Ca 0.09 -1.03 -0.13 0.00 0.36 0.00 0.00 54.97 54.26 1c70 s GLU 65 Cb -0.09 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.71 1c70 s GLU 65 CO 0.01 -0.62 0.25 0.42 -0.54 0.00 0.00 175.26 174.79 1c70 s ILE 66 N 1.51 5.15 -0.97 -3.70 1.09 0.14 -1.96 121.20 122.46 1c70 s ILE 66 Ca 0.01 -0.47 -0.12 0.00 -1.10 0.00 0.00 60.65 58.97 1c70 s ILE 66 Cb -0.19 -3.75 0.01 0.00 -1.06 0.00 0.00 42.46 37.47 1c70 s ILE 66 CO 0.05 -0.14 0.68 0.00 -0.10 0.00 0.00 174.94 175.43 1c70 n GLY 68 N -1.77 1.83 3.45 0.00 0.00 -1.26 -4.97 105.19 102.48 1c70 n GLY 68 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1c70 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1c70 s HIS 69 N -2.54 2.94 0.42 1.61 4.02 -0.39 -5.10 115.29 116.25 1c70 s HIS 69 Ca 0.00 -0.43 -0.22 0.00 1.02 0.00 0.00 55.06 55.43 1c70 s HIS 69 Cb 0.00 -1.92 -0.10 0.00 -1.02 0.00 0.00 32.58 29.54 1c70 s HIS 69 CO 0.00 -0.10 0.97 0.15 1.02 0.00 0.00 174.74 176.78 1c70 s LYS 70 N 0.36 4.23 -0.02 1.40 1.02 -1.26 0.27 119.74 125.74 1c70 s LYS 70 Ca -0.07 1.22 -0.14 0.00 0.02 0.00 0.00 55.97 57.00 1c70 s LYS 70 Cb -0.15 -2.31 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1c70 s LYS 70 CO 0.04 -0.04 0.31 0.00 -0.92 0.00 0.00 175.35 174.74 1c70 s ALA 71 N -2.01 -0.78 -0.03 5.17 0.00 0.19 -4.76 121.76 119.55 1c70 s ALA 71 Ca 0.60 0.37 0.06 0.00 0.00 0.00 0.00 51.96 53.00 1c70 s ALA 71 Cb -0.13 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 1c70 s ALA 71 CO 0.17 -0.25 -0.23 0.42 0.00 0.00 0.00 175.76 175.87 1c70 s ILE 72 N -1.20 1.82 -0.02 0.00 1.09 -1.26 -0.86 121.20 120.78 1c70 s ILE 72 Ca -0.12 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 58.46 1c70 s ILE 72 Cb -0.05 -1.53 0.00 0.00 -1.06 0.00 0.00 42.46 39.82 1c70 s ILE 72 CO 0.04 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 176.00 1c70 n GLY 73 N 2.73 -1.16 3.73 6.18 0.00 -0.21 -4.90 105.19 111.55 1c70 n GLY 73 Ca -0.16 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1c70 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c70 s THR 74 N -2.50 4.75 -0.09 2.61 2.01 -1.26 -0.67 115.64 120.48 1c70 s THR 74 Ca 0.00 1.80 0.03 0.00 0.31 0.00 0.00 61.69 63.83 1c70 s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 1c70 s THR 74 CO 0.00 0.30 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.34 1c70 s VAL 75 N 0.29 1.71 -0.12 3.82 1.01 -0.40 -4.29 120.40 122.43 1c70 s VAL 75 Ca 0.43 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1c70 s VAL 75 Cb -0.21 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 1c70 s VAL 75 CO 0.25 0.48 0.01 -0.76 0.00 0.00 0.00 175.10 175.08 1c70 s LEU 76 N 0.55 3.60 -0.12 3.92 1.43 0.38 -1.01 118.68 127.42 1c70 s LEU 76 Ca -0.15 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1c70 s LEU 76 Cb -0.17 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.21 1c70 s LEU 76 CO 0.05 0.30 -0.20 -0.69 0.23 0.00 0.00 176.35 176.05 1c70 s VAL 77 N -0.43 1.87 -0.70 -1.59 1.01 -0.01 -0.67 120.40 119.88 1c70 s VAL 77 Ca 0.08 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1c70 s VAL 77 Cb -0.12 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1c70 s VAL 77 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1c70 n GLY 78 N 3.99 -0.65 2.99 4.51 0.00 -0.39 -1.35 105.19 114.28 1c70 n GLY 78 Ca -0.20 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1c70 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1c70 n PRO 79 N 0.00 2.36 -4.23 1.61 -0.04 -1.26 -2.10 135.00 131.33 1c70 n PRO 79 Ca 0.00 -2.41 -0.31 0.00 -0.04 0.00 0.00 63.50 60.74 1c70 n PRO 79 Cb 0.00 -3.21 -0.09 0.00 -0.04 0.00 0.00 33.50 30.16 1c70 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1c70 s THR 80 N 4.37 4.05 -0.91 0.52 -1.32 -1.26 -5.00 115.64 116.09 1c70 s THR 80 Ca 0.52 -0.78 0.27 0.00 -1.21 0.00 0.00 61.69 60.50 1c70 s THR 80 Cb 0.12 -2.86 0.25 0.00 -1.51 0.00 0.00 72.50 68.51 1c70 s THR 80 CO 0.01 0.27 1.86 -0.81 -2.21 0.00 0.00 174.62 173.74 1c70 n PRO 81 N 1.05 0.09 -3.71 7.08 -0.04 -1.26 -4.73 135.00 133.47 1c70 n PRO 81 Ca -0.13 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 1c70 n PRO 81 Cb 0.52 -1.60 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 1c70 n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1c70 s VAL 82 N -3.04 0.06 -0.13 0.52 0.11 -1.26 -5.11 120.40 111.54 1c70 s VAL 82 Ca 0.12 -0.46 -0.29 0.00 -2.93 0.00 0.00 61.98 58.42 1c70 s VAL 82 Cb 0.16 -0.81 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1c70 s VAL 82 CO 0.54 -0.25 1.05 0.20 -3.33 0.00 0.00 175.10 173.31 1c70 s ASN 83 N -1.64 7.17 -0.25 3.54 0.01 -1.26 -4.69 114.94 117.83 1c70 s ASN 83 Ca -0.09 1.54 -0.07 0.00 -0.71 0.00 0.00 52.86 53.53 1c70 s ASN 83 Cb -0.03 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1c70 s ASN 83 CO 0.02 -0.53 0.06 -0.63 -1.51 0.00 0.00 177.10 174.51 1c70 s ILE 84 N 2.37 4.26 -0.43 0.60 -1.09 0.46 -1.30 121.20 126.08 1c70 s ILE 84 Ca 0.49 -0.19 -0.15 0.00 -2.23 0.00 0.00 60.65 58.57 1c70 s ILE 84 Cb -0.19 -2.99 0.04 0.00 -1.58 0.00 0.00 42.46 37.75 1c70 s ILE 84 CO 0.16 0.35 0.33 -0.63 -1.23 0.00 0.00 174.94 173.92 1c70 s ILE 85 N 1.58 5.20 0.31 2.92 -1.09 -0.33 -2.00 121.20 127.80 1c70 s ILE 85 Ca 0.06 -0.85 -0.01 0.00 -2.23 0.00 0.00 60.65 57.63 1c70 s ILE 85 Cb -0.15 -3.99 0.06 0.00 -1.58 0.00 0.00 42.46 36.81 1c70 s ILE 85 CO 0.03 -0.42 0.43 0.61 -1.23 0.00 0.00 174.94 174.36 1c70 n GLY 86 N 5.17 0.56 0.26 6.18 0.00 -1.23 -0.98 105.19 115.15 1c70 n GLY 86 Ca -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 46.02 43.96 1c70 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c70 h ARG 87 N 0.00 0.40 -0.51 1.61 3.08 -0.71 -1.80 114.38 116.44 1c70 h ARG 87 Ca -0.14 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 59.89 1c70 h ARG 87 Cb 0.51 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1c70 h ARG 87 CO 0.15 0.44 0.34 -2.95 -1.07 0.00 0.00 179.97 176.88 1c70 h ASN 88 N 0.39 0.39 0.00 7.04 -1.07 -1.80 -2.49 115.58 118.04 1c70 h ASN 88 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.45 1c70 h ASN 88 Cb 0.28 -0.08 -0.00 0.00 -2.07 0.00 0.00 38.32 36.45 1c70 h ASN 88 CO 0.01 0.25 -1.94 0.18 0.07 0.00 0.00 177.43 176.00 1c70 n LEU 89 N -4.47 0.00 -0.10 6.14 4.77 -0.90 -4.42 117.00 118.01 1c70 n LEU 89 Ca 0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1c70 n LEU 89 Cb 0.25 0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.47 1c70 n LEU 89 CO 0.34 0.01 0.77 -0.07 -1.33 0.00 0.00 177.39 177.12 1c70 h LEU 90 N 0.00 0.78 -1.29 2.23 3.38 -1.01 -2.74 115.31 116.66 1c70 h LEU 90 Ca -0.01 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1c70 h LEU 90 Cb 0.96 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1c70 h LEU 90 CO 0.00 0.93 0.50 0.71 0.09 0.00 0.00 178.44 180.68 1c70 h THR 91 N 0.71 1.09 -0.55 0.22 1.35 -1.67 -0.21 112.91 113.85 1c70 h THR 91 Ca 0.11 -0.31 -0.10 0.00 -0.55 0.00 0.00 66.41 65.56 1c70 h THR 91 Cb 0.63 0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.14 1c70 h THR 91 CO 0.04 0.17 -0.05 1.56 -0.25 0.00 0.00 175.52 176.99 1c70 h GLN 92 N 0.90 0.99 -0.16 4.72 1.08 -1.70 -1.72 115.11 119.22 1c70 h GLN 92 Ca 0.31 -0.33 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1c70 h GLN 92 Cb 0.11 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1c70 h GLN 92 CO -0.10 1.00 0.00 0.44 -0.95 0.00 0.00 178.83 179.23 1c70 n ILE 93 N -4.17 0.21 -1.83 2.54 -5.35 -1.11 -4.91 119.36 104.73 1c70 n ILE 93 Ca 0.02 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1c70 n ILE 93 Cb 0.36 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 1c70 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1c70 n GLY 94 N 1.08 0.45 3.72 3.28 0.00 -0.65 -5.01 105.19 108.06 1c70 n GLY 94 Ca 0.15 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1c70 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c70 s THR 96 N 0.82 1.25 -0.17 0.00 -4.23 -1.26 -4.70 115.64 107.35 1c70 s THR 96 Ca 0.59 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 1c70 s THR 96 Cb -0.32 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 70.78 1c70 s THR 96 CO 0.31 0.00 -0.18 -0.22 -0.54 0.00 0.00 174.62 173.99 1c70 s LEU 97 N -3.54 1.98 0.03 4.79 0.20 -1.26 -5.09 118.68 115.79 1c70 s LEU 97 Ca 0.34 -0.60 0.07 0.00 0.69 0.00 0.00 54.13 54.64 1c70 s LEU 97 Cb 0.08 -1.38 -0.02 0.00 -0.43 0.00 0.00 46.19 44.44 1c70 s LEU 97 CO 0.15 -0.02 -0.21 0.20 -0.29 0.00 0.00 176.35 176.18 1c70 s ASN 98 N 1.36 2.55 0.00 3.68 -0.87 -1.26 -5.30 114.94 115.10 1c70 s ASN 98 Ca 0.05 -0.49 0.00 0.00 -1.57 0.00 0.00 52.86 50.85 1c70 s ASN 98 Cb -0.13 -0.23 0.00 0.00 -0.02 0.00 0.00 41.25 40.87 1c70 s ASN 98 CO -0.12 0.20 0.00 2.22 -2.57 0.00 0.00 177.10 176.83