#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nh0 s GLN 2 N 0.00 1.26 -0.28 0.54 0.74 -1.26 -5.11 119.66 115.55 1nh0 s GLN 2 Ca 0.00 -1.48 -0.11 0.00 0.05 0.00 0.00 55.36 53.82 1nh0 s GLN 2 Cb 0.00 -2.71 -0.05 0.00 1.10 0.00 0.00 33.01 31.36 1nh0 s GLN 2 CO 0.00 -0.90 0.19 0.42 -0.55 0.00 0.00 175.29 174.45 1nh0 s ILE 3 N 1.21 5.30 0.87 -2.34 1.01 -1.26 -5.08 121.20 120.90 1nh0 s ILE 3 Ca 0.08 0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.75 1nh0 s ILE 3 Cb -0.18 -3.53 0.14 0.00 0.01 0.00 0.00 42.46 38.89 1nh0 s ILE 3 CO -0.14 0.24 1.23 0.42 0.00 0.00 0.00 174.94 176.69 1nh0 s THR 4 N 1.76 2.03 -0.14 2.92 -4.23 -1.26 -5.03 115.64 111.69 1nh0 s THR 4 Ca 0.07 -0.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.70 1nh0 s THR 4 Cb -0.16 -2.98 0.30 0.00 1.34 0.00 0.00 72.50 71.00 1nh0 s THR 4 CO 0.11 0.00 1.16 0.18 -0.54 0.00 0.00 174.62 175.53 1nh0 n LEU 5 N -3.48 2.24 0.24 4.79 4.77 -1.26 -4.66 117.00 119.64 1nh0 n LEU 5 Ca 0.12 -3.11 0.11 0.00 -0.03 0.00 0.00 56.01 53.09 1nh0 n LEU 5 Cb 0.60 -0.41 0.56 0.00 -2.33 0.00 0.00 43.42 41.84 1nh0 n LEU 5 CO 0.51 0.84 0.86 -0.50 -1.33 0.00 0.00 177.39 177.77 1nh0 h TRP 6 N 0.26 0.00 -3.11 -1.77 4.06 -2.06 -3.43 115.95 109.90 1nh0 h TRP 6 Ca -0.01 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.52 1nh0 h TRP 6 Cb 1.05 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.07 1nh0 h TRP 6 CO 0.19 0.20 -0.63 1.14 -3.56 0.00 0.00 178.44 175.77 1nh0 s GLN 7 N -3.87 1.49 0.27 0.49 -2.07 -1.26 -5.12 119.66 109.60 1nh0 s GLN 7 Ca -0.01 -1.79 -0.30 0.00 -1.82 0.00 0.00 55.36 51.43 1nh0 s GLN 7 Cb 0.11 -0.73 -0.12 0.00 -1.09 0.00 0.00 33.01 31.19 1nh0 s GLN 7 CO 0.62 -0.14 1.61 0.54 -1.32 0.00 0.00 175.29 176.59 1nh0 n ARG 8 N -0.55 2.67 -2.20 9.60 1.74 -1.26 -4.87 116.66 121.79 1nh0 n ARG 8 Ca -0.03 0.95 -0.43 0.00 -0.77 0.00 0.00 57.85 57.57 1nh0 n ARG 8 Cb 0.65 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1nh0 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nh0 n PRO 9 N 2.47 3.20 -3.00 5.56 -0.04 -1.26 -4.94 135.00 136.99 1nh0 n PRO 9 Ca 0.10 -3.14 -0.39 0.00 -0.04 0.00 0.00 63.50 60.02 1nh0 n PRO 9 Cb 0.36 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.57 1nh0 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nh0 s LEU 10 N 1.79 4.56 0.14 1.53 1.43 -1.26 -1.16 118.68 125.71 1nh0 s LEU 10 Ca 0.46 1.58 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1nh0 s LEU 10 Cb 0.09 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 1nh0 s LEU 10 CO -0.02 0.18 -0.02 0.68 0.23 0.00 0.00 176.35 177.40 1nh0 s VAL 11 N -0.94 0.63 0.24 -1.59 -7.23 0.02 -4.94 120.40 106.59 1nh0 s VAL 11 Ca 0.36 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 1nh0 s VAL 11 Cb -0.22 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 1nh0 s VAL 11 CO 0.25 -0.63 1.07 0.42 -0.31 0.00 0.00 175.10 175.89 1nh0 s THR 12 N -3.68 3.71 0.10 5.32 -4.23 -1.26 -1.14 115.64 114.46 1nh0 s THR 12 Ca 0.19 1.65 0.06 0.00 -1.18 0.00 0.00 61.69 62.41 1nh0 s THR 12 Cb 0.06 -4.05 -0.03 0.00 1.34 0.00 0.00 72.50 69.81 1nh0 s THR 12 CO 0.00 0.36 -0.15 0.27 -0.54 0.00 0.00 174.62 174.56 1nh0 s ILE 13 N -0.91 1.34 -0.06 2.99 -4.36 -0.37 -0.87 121.20 118.95 1nh0 s ILE 13 Ca 0.45 -1.56 0.01 0.00 -0.26 0.00 0.00 60.65 59.28 1nh0 s ILE 13 Cb -0.30 -1.40 0.02 0.00 1.25 0.00 0.00 42.46 42.03 1nh0 s ILE 13 CO 0.38 -0.29 -0.05 -0.75 0.24 0.00 0.00 174.94 174.46 1nh0 s LYS 14 N -2.25 0.99 -0.05 0.37 2.20 -0.20 -0.72 119.74 120.08 1nh0 s LYS 14 Ca 0.05 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1nh0 s LYS 14 Cb -0.07 -1.04 0.02 0.00 -1.51 0.00 0.00 37.83 35.23 1nh0 s LYS 14 CO 0.03 -0.14 -0.02 0.42 -0.36 0.00 0.00 175.35 175.29 1nh0 s ILE 15 N 1.21 0.39 -1.44 5.43 1.01 -0.62 -1.22 121.20 125.95 1nh0 s ILE 15 Ca -0.06 0.01 -0.09 0.00 0.00 0.00 0.00 60.65 60.50 1nh0 s ILE 15 Cb -0.14 -0.47 0.05 0.00 0.01 0.00 0.00 42.46 41.91 1nh0 s ILE 15 CO -0.02 0.21 0.95 0.61 0.00 0.00 0.00 174.94 176.69 1nh0 n GLY 16 N 4.39 -0.45 3.43 6.18 0.00 -1.26 -0.85 105.19 116.62 1nh0 n GLY 16 Ca -0.20 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nh0 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nh0 n GLY 17 N -1.69 2.28 3.70 -0.02 0.00 -1.26 -4.97 105.19 103.23 1nh0 n GLY 17 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 1nh0 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nh0 s GLN 18 N -0.01 4.20 -0.20 1.61 -0.21 -0.03 -5.07 119.66 119.95 1nh0 s GLN 18 Ca 0.00 -0.01 -0.14 0.00 0.02 0.00 0.00 55.36 55.23 1nh0 s GLN 18 Cb 0.00 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.50 1nh0 s GLN 18 CO 0.00 0.16 0.31 -1.17 -2.12 0.00 0.00 175.29 172.47 1nh0 s LEU 19 N 0.72 4.18 0.00 2.90 2.96 -1.26 -1.60 118.68 126.58 1nh0 s LEU 19 Ca 0.14 0.42 0.05 0.00 -0.22 0.00 0.00 54.13 54.51 1nh0 s LEU 19 Cb -0.13 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 1nh0 s LEU 19 CO 0.04 0.02 0.17 0.29 -1.32 0.00 0.00 176.35 175.54 1nh0 n LYS 20 N 4.11 0.41 -4.20 1.98 4.76 0.10 -5.01 118.16 120.31 1nh0 n LYS 20 Ca -0.11 -2.35 -0.19 0.00 -2.87 0.00 0.00 58.31 52.79 1nh0 n LYS 20 Cb 0.52 1.72 -0.12 0.00 -1.84 0.00 0.00 35.03 35.31 1nh0 n LYS 20 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1nh0 s GLU 21 N -2.99 0.90 0.07 1.97 -1.05 -1.26 -1.24 118.70 115.10 1nh0 s GLU 21 Ca 0.24 -1.06 -0.15 0.00 -0.15 0.00 0.00 54.97 53.85 1nh0 s GLU 21 Cb 0.01 -0.88 0.03 0.00 -0.44 0.00 0.00 34.13 32.85 1nh0 s GLU 21 CO 0.17 0.19 0.35 0.00 0.95 0.00 0.00 175.26 176.92 1nh0 s ALA 22 N -1.55 -0.81 -0.18 -0.84 0.00 -0.29 -4.58 121.76 113.51 1nh0 s ALA 22 Ca 0.02 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.80 1nh0 s ALA 22 Cb -0.08 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1nh0 s ALA 22 CO 0.03 -0.51 0.54 -1.17 0.00 0.00 0.00 175.76 174.64 1nh0 s LEU 23 N -2.37 4.18 -0.35 0.00 2.96 0.46 -0.80 118.68 122.75 1nh0 s LEU 23 Ca -0.01 0.75 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 1nh0 s LEU 23 Cb 0.01 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.94 1nh0 s LEU 23 CO -0.07 -0.16 1.53 -0.76 -1.32 0.00 0.00 176.35 175.58 1nh0 s LEU 24 N 1.46 3.64 -0.40 -0.68 1.43 -0.30 -0.54 118.68 123.28 1nh0 s LEU 24 Ca 0.26 1.12 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 1nh0 s LEU 24 Cb -0.15 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.65 1nh0 s LEU 24 CO 0.10 -1.44 0.16 -0.62 0.23 0.00 0.00 176.35 174.79 1nh0 s ASP 25 N 4.42 4.12 0.21 2.29 -1.08 -0.12 -4.78 116.67 121.73 1nh0 s ASP 25 Ca 0.67 -2.34 0.21 0.00 -0.52 0.00 0.00 52.55 50.57 1nh0 s ASP 25 Cb -0.18 -1.24 0.91 0.00 -1.46 0.00 0.00 42.92 40.95 1nh0 s ASP 25 CO 0.31 -0.32 1.64 0.35 0.52 0.00 0.00 175.17 177.67 1nh0 n THR 26 N 3.96 0.91 1.59 1.71 -2.24 -1.26 -2.06 114.28 116.89 1nh0 n THR 26 Ca 0.04 0.29 0.15 0.00 -2.27 0.00 0.00 64.05 62.26 1nh0 n THR 26 Cb 0.38 -1.20 0.79 0.00 -2.10 0.00 0.00 70.33 68.19 1nh0 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nh0 n GLY 27 N -0.18 -1.12 3.57 3.38 0.00 -1.26 -4.83 105.19 104.75 1nh0 n GLY 27 Ca 0.02 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1nh0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh0 s ALA 28 N -2.38 3.21 0.25 4.61 0.00 -0.88 -4.99 121.76 121.59 1nh0 s ALA 28 Ca 0.34 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1nh0 s ALA 28 Cb 0.21 -1.75 0.30 0.00 0.00 0.00 0.00 23.12 21.88 1nh0 s ALA 28 CO 0.43 0.18 1.72 -0.44 0.00 0.00 0.00 175.76 177.66 1nh0 h ASP 29 N 6.73 0.75 -2.09 0.00 3.32 -1.88 -0.11 116.42 123.15 1nh0 h ASP 29 Ca -0.34 -0.21 -0.60 0.00 0.02 0.00 0.00 57.03 55.90 1nh0 h ASP 29 Cb 1.18 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.39 1nh0 h ASP 29 CO 0.67 0.86 -0.69 -1.81 -1.72 0.00 0.00 179.24 176.55 1nh0 s ASP 30 N -6.68 3.60 -0.21 6.45 1.01 -1.26 -2.68 116.67 116.90 1nh0 s ASP 30 Ca -0.09 -1.18 -0.11 0.00 0.71 0.00 0.00 52.55 51.88 1nh0 s ASP 30 Cb 0.14 -0.32 -0.05 0.00 1.01 0.00 0.00 42.92 43.70 1nh0 s ASP 30 CO 0.82 -0.19 0.19 -0.89 0.21 0.00 0.00 175.17 175.30 1nh0 s THR 31 N -2.65 5.36 -0.11 -1.27 2.01 -1.26 -3.03 115.64 114.69 1nh0 s THR 31 Ca 0.32 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.60 1nh0 s THR 31 Cb 0.02 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.02 1nh0 s THR 31 CO 0.16 0.38 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.70 1nh0 s VAL 32 N 0.70 1.01 0.24 3.82 1.01 -0.40 -0.68 120.40 126.11 1nh0 s VAL 32 Ca 0.10 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1nh0 s VAL 32 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 1nh0 s VAL 32 CO 0.02 0.36 -0.13 -0.76 0.00 0.00 0.00 175.10 174.59 1nh0 s LEU 33 N 1.63 2.55 1.12 3.92 1.43 0.36 -0.87 118.68 128.81 1nh0 s LEU 33 Ca 0.03 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 1nh0 s LEU 33 Cb -0.13 -0.74 0.24 0.00 0.03 0.00 0.00 46.19 45.60 1nh0 s LEU 33 CO -0.07 -0.19 0.93 -1.84 0.23 0.00 0.00 176.35 175.41 1nh0 n GLU 34 N -0.48 -1.98 -1.76 1.70 0.28 -1.26 -1.80 120.64 115.34 1nh0 n GLU 34 Ca -0.07 -0.54 -0.42 0.00 -0.16 0.00 0.00 57.16 55.97 1nh0 n GLU 34 Cb 0.61 -2.16 -0.03 0.00 1.43 0.00 0.00 31.44 31.30 1nh0 n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1nh0 s GLU 35 N -4.33 4.15 -0.03 3.44 2.56 -1.26 -4.76 118.70 118.47 1nh0 s GLU 35 Ca 0.67 2.55 0.04 0.00 0.00 0.00 0.00 54.97 58.23 1nh0 s GLU 35 Cb -0.24 -3.48 0.06 0.00 2.00 0.00 0.00 34.13 32.47 1nh0 s GLU 35 CO 0.64 -0.80 0.93 -1.33 -0.56 0.00 0.00 175.26 174.14 1nh0 n MET 36 N 5.29 1.75 -3.78 4.30 2.81 -1.26 -5.02 117.12 121.20 1nh0 n MET 36 Ca 0.17 -1.48 -0.26 0.00 -1.81 0.00 0.00 57.70 54.32 1nh0 n MET 36 Cb 0.38 -0.96 0.04 0.00 -0.71 0.00 0.00 33.22 31.96 1nh0 n MET 36 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1nh0 n SER 37 N -0.56 -3.32 -4.71 7.83 3.41 -1.26 -4.92 113.62 110.10 1nh0 n SER 37 Ca 0.03 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 1nh0 n SER 37 Cb 0.43 -4.10 -0.03 0.00 -0.26 0.00 0.00 64.21 60.25 1nh0 n SER 37 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1nh0 s LEU 38 N -7.00 4.35 0.75 1.04 1.43 -1.26 -4.97 118.68 113.02 1nh0 s LEU 38 Ca 0.36 2.20 -0.11 0.00 -1.03 0.00 0.00 54.13 55.55 1nh0 s LEU 38 Cb -0.18 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.51 1nh0 s LEU 38 CO 0.81 -0.65 1.08 -2.16 0.23 0.00 0.00 176.35 175.67 1nh0 s PRO 39 N 1.55 2.50 0.00 1.29 0.04 -1.26 -4.92 135.00 134.19 1nh0 s PRO 39 Ca 0.63 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1nh0 s PRO 39 Cb -0.34 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.24 1nh0 s PRO 39 CO 0.29 -1.35 0.00 0.41 0.04 0.00 0.00 177.00 176.39 1nh0 n GLY 40 N -2.19 0.78 3.72 0.56 0.00 -1.26 -4.94 105.19 101.86 1nh0 n GLY 40 Ca 0.07 -1.88 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 1nh0 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nh0 s ARG 41 N -2.21 1.95 0.28 1.61 1.04 -1.26 -5.08 118.95 115.28 1nh0 s ARG 41 Ca 0.00 1.67 0.04 0.00 -1.04 0.00 0.00 55.73 56.39 1nh0 s ARG 41 Cb 0.00 -1.82 -0.04 0.00 -2.04 0.00 0.00 34.95 31.05 1nh0 s ARG 41 CO 0.00 -1.96 0.20 1.67 -0.04 0.00 0.00 175.30 175.17 1nh0 s TRP 42 N -2.19 1.52 -0.09 5.89 -2.14 -1.26 -4.73 118.94 115.95 1nh0 s TRP 42 Ca 0.72 -1.50 0.02 0.00 2.66 0.00 0.00 56.10 57.99 1nh0 s TRP 42 Cb -0.27 -0.70 0.01 0.00 -3.10 0.00 0.00 33.47 29.42 1nh0 s TRP 42 CO 0.48 -0.71 -0.14 0.21 -2.66 0.00 0.00 176.95 174.13 1nh0 s LYS 43 N -3.77 2.00 0.42 3.25 2.20 -0.68 -4.91 119.74 118.25 1nh0 s LYS 43 Ca 0.39 -0.49 -0.23 0.00 -0.36 0.00 0.00 55.97 55.27 1nh0 s LYS 43 Cb 0.04 -1.69 -0.09 0.00 -1.51 0.00 0.00 37.83 34.59 1nh0 s LYS 43 CO 0.20 -0.03 1.07 -1.25 -0.36 0.00 0.00 175.35 174.98 1nh0 s PRO 44 N 0.88 4.03 0.27 4.03 0.04 -1.26 -0.52 135.00 142.46 1nh0 s PRO 44 Ca -0.10 1.55 -0.20 0.00 0.04 0.00 0.00 61.00 62.30 1nh0 s PRO 44 Cb -0.15 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 31.95 1nh0 s PRO 44 CO 0.01 -0.27 0.68 -1.59 0.04 0.00 0.00 177.00 175.87 1nh0 s LYS 45 N -2.63 1.74 -0.06 4.56 -2.85 -0.70 -4.91 119.74 114.88 1nh0 s LYS 45 Ca 0.60 -1.02 -0.01 0.00 -1.00 0.00 0.00 55.97 54.55 1nh0 s LYS 45 Cb -0.23 0.59 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 1nh0 s LYS 45 CO 0.28 -0.79 0.02 -1.64 0.10 0.00 0.00 175.35 173.32 1nh0 s MET 46 N -3.93 2.97 0.32 1.78 -1.94 -1.26 -0.98 119.30 116.25 1nh0 s MET 46 Ca 0.12 -0.45 0.03 0.00 -1.71 0.00 0.00 55.69 53.68 1nh0 s MET 46 Cb -0.05 -2.79 -0.05 0.00 2.01 0.00 0.00 34.83 33.94 1nh0 s MET 46 CO 0.07 0.68 0.09 0.96 -0.01 0.00 0.00 175.02 176.81 1nh0 s ILE 47 N -0.98 0.84 0.31 2.53 -4.36 -0.62 -4.98 121.20 113.93 1nh0 s ILE 47 Ca 0.16 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.36 1nh0 s ILE 47 Cb -0.11 -2.66 0.03 0.00 1.25 0.00 0.00 42.46 40.97 1nh0 s ILE 47 CO 0.06 0.00 0.73 -0.83 0.24 0.00 0.00 174.94 175.13 1nh0 s GLY 48 N -3.44 0.08 0.00 6.27 0.00 -1.26 -0.92 107.32 108.05 1nh0 s GLY 48 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1nh0 s GLY 48 CO 0.15 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.67 1nh0 n GLY 49 N -0.48 3.21 3.74 0.20 0.00 -0.47 -5.00 105.19 106.39 1nh0 n GLY 49 Ca -0.05 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 1nh0 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nh0 s ILE 50 N -0.22 2.78 0.00 -0.61 1.01 -1.26 -2.56 121.20 120.33 1nh0 s ILE 50 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 60.65 61.27 1nh0 s ILE 50 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1nh0 s ILE 50 CO 0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 1nh0 n GLY 51 N 2.59 1.75 0.00 6.18 0.00 -1.26 -4.94 105.19 109.50 1nh0 n GLY 51 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1nh0 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nh0 n GLY 52 N -2.00 0.70 3.39 -0.02 0.00 -1.06 -5.11 105.19 101.09 1nh0 n GLY 52 Ca 0.00 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 1nh0 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nh0 s PHE 53 N -2.80 2.21 0.05 1.61 0.40 -1.26 -1.36 117.98 116.82 1nh0 s PHE 53 Ca 0.00 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1nh0 s PHE 53 Cb 0.00 -1.14 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 1nh0 s PHE 53 CO 0.00 0.40 -0.08 0.96 0.70 0.00 0.00 175.22 177.20 1nh0 s ILE 54 N -1.44 0.60 0.12 0.64 -4.36 -0.09 -4.98 121.20 111.68 1nh0 s ILE 54 Ca 0.17 -1.13 -0.28 0.00 -0.26 0.00 0.00 60.65 59.15 1nh0 s ILE 54 Cb -0.09 -0.69 -0.07 0.00 1.25 0.00 0.00 42.46 42.87 1nh0 s ILE 54 CO 0.08 -0.38 0.86 -0.75 0.24 0.00 0.00 174.94 174.99 1nh0 s LYS 55 N -1.66 4.63 0.16 0.37 2.47 -1.26 -1.59 119.74 122.86 1nh0 s LYS 55 Ca -0.09 1.28 0.02 0.00 -1.56 0.00 0.00 55.97 55.63 1nh0 s LYS 55 Cb -0.10 -3.34 -0.05 0.00 -1.46 0.00 0.00 37.83 32.89 1nh0 s LYS 55 CO 0.00 0.34 -0.02 0.14 0.16 0.00 0.00 175.35 175.98 1nh0 s VAL 56 N -0.39 0.73 -0.21 4.02 -7.23 -0.16 -4.38 120.40 112.78 1nh0 s VAL 56 Ca 0.41 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1nh0 s VAL 56 Cb -0.23 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1nh0 s VAL 56 CO 0.27 -0.55 0.01 -0.13 -0.31 0.00 0.00 175.10 174.40 1nh0 s ARG 57 N -3.89 3.61 -0.25 4.82 0.52 -0.10 -1.72 118.95 121.94 1nh0 s ARG 57 Ca 0.22 -0.52 -0.18 0.00 -0.52 0.00 0.00 55.73 54.73 1nh0 s ARG 57 Cb 0.06 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 1nh0 s ARG 57 CO 0.03 -0.04 0.54 -1.14 0.02 0.00 0.00 175.30 174.70 1nh0 s GLN 58 N 1.15 4.10 -0.15 3.54 0.74 0.32 -0.71 119.66 128.65 1nh0 s GLN 58 Ca 0.03 0.38 -0.00 0.00 0.05 0.00 0.00 55.36 55.82 1nh0 s GLN 58 Cb -0.14 -3.64 -0.01 0.00 1.10 0.00 0.00 33.01 30.32 1nh0 s GLN 58 CO 0.02 -0.33 -0.14 0.71 -0.55 0.00 0.00 175.29 175.00 1nh0 s TYR 59 N 2.23 2.80 0.37 1.67 1.51 -0.02 -1.68 117.35 124.23 1nh0 s TYR 59 Ca 0.23 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1nh0 s TYR 59 Cb -0.16 -1.88 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 1nh0 s TYR 59 CO 0.09 -0.39 0.55 -0.51 -1.11 0.00 0.00 175.55 174.18 1nh0 s ASP 60 N 0.68 5.99 -1.41 2.29 1.01 -1.26 -0.84 116.67 123.13 1nh0 s ASP 60 Ca -0.07 0.09 -0.04 0.00 0.71 0.00 0.00 52.55 53.24 1nh0 s ASP 60 Cb -0.16 -1.50 0.03 0.00 1.01 0.00 0.00 42.92 42.31 1nh0 s ASP 60 CO 0.02 -0.49 0.68 0.00 0.21 0.00 0.00 175.17 175.60 1nh0 n GLN 61 N -1.80 -4.47 -3.25 8.23 6.02 -1.19 -4.91 117.38 116.02 1nh0 n GLN 61 Ca -0.01 0.54 -0.38 0.00 -0.01 0.00 0.00 57.00 57.13 1nh0 n GLN 61 Cb 0.58 -5.05 -0.06 0.00 1.02 0.00 0.00 30.24 26.73 1nh0 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1nh0 s ILE 62 N -3.66 5.14 -0.21 5.09 -1.09 -0.16 -4.78 121.20 121.54 1nh0 s ILE 62 Ca 0.18 1.06 -0.27 0.00 -2.23 0.00 0.00 60.65 59.39 1nh0 s ILE 62 Cb -0.09 -3.87 -0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1nh0 s ILE 62 CO 0.84 0.28 0.94 -0.76 -1.23 0.00 0.00 174.94 175.02 1nh0 s LEU 63 N 0.84 4.12 -0.00 2.97 1.43 -1.26 -1.54 118.68 125.24 1nh0 s LEU 63 Ca 0.28 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.66 1nh0 s LEU 63 Cb -0.16 -3.39 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 1nh0 s LEU 63 CO 0.12 -0.56 -0.03 -0.51 0.23 0.00 0.00 176.35 175.60 1nh0 s ILE 64 N 2.79 0.22 -0.20 -0.59 2.07 -0.65 -4.49 121.20 120.35 1nh0 s ILE 64 Ca 0.41 -0.15 -0.05 0.00 -1.41 0.00 0.00 60.65 59.45 1nh0 s ILE 64 Cb -0.16 -0.20 -0.03 0.00 0.13 0.00 0.00 42.46 42.21 1nh0 s ILE 64 CO 0.09 0.05 -0.00 -0.70 -1.91 0.00 0.00 174.94 172.46 1nh0 s GLU 65 N -0.11 3.64 -0.25 3.50 2.12 -0.36 -1.03 118.70 126.21 1nh0 s GLU 65 Ca 0.01 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 54.84 1nh0 s GLU 65 Cb -0.01 -3.07 0.05 0.00 0.26 0.00 0.00 34.13 31.35 1nh0 s GLU 65 CO -0.00 0.04 -0.10 0.42 -0.54 0.00 0.00 175.26 175.08 1nh0 s ILE 66 N 0.92 2.37 -1.59 -3.70 1.01 0.02 -1.03 121.20 119.20 1nh0 s ILE 66 Ca 0.01 -1.40 -0.14 0.00 0.00 0.00 0.00 60.65 59.12 1nh0 s ILE 66 Cb -0.14 -2.30 0.11 0.00 0.01 0.00 0.00 42.46 40.13 1nh0 s ILE 66 CO 0.02 0.09 0.83 0.00 0.00 0.00 0.00 174.94 175.87 1nh0 n GLY 68 N -1.59 2.21 3.69 0.00 0.00 -1.26 -5.01 105.19 103.24 1nh0 n GLY 68 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 1nh0 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nh0 s HIS 69 N -2.82 3.36 0.21 1.61 4.02 -0.03 -5.07 115.29 116.58 1nh0 s HIS 69 Ca 0.00 0.29 -0.27 0.00 1.02 0.00 0.00 55.06 56.09 1nh0 s HIS 69 Cb 0.00 -2.23 -0.09 0.00 -1.02 0.00 0.00 32.58 29.24 1nh0 s HIS 69 CO 0.00 0.16 0.86 0.15 1.02 0.00 0.00 174.74 176.93 1nh0 s LYS 70 N 0.75 4.68 0.15 1.40 1.02 -1.26 -0.80 119.74 125.68 1nh0 s LYS 70 Ca 0.08 1.30 -0.10 0.00 0.02 0.00 0.00 55.97 57.27 1nh0 s LYS 70 Cb -0.12 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1nh0 s LYS 70 CO 0.02 0.52 0.29 0.00 -0.92 0.00 0.00 175.35 175.26 1nh0 s ALA 71 N -1.22 -0.16 -0.03 5.17 0.00 -0.20 -4.83 121.76 120.50 1nh0 s ALA 71 Ca 0.39 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1nh0 s ALA 71 Cb -0.24 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.68 1nh0 s ALA 71 CO 0.28 -0.63 -0.04 -1.50 0.00 0.00 0.00 175.76 173.87 1nh0 s ILE 72 N -3.93 0.46 -0.01 0.00 2.07 -1.26 -1.63 121.20 116.89 1nh0 s ILE 72 Ca 0.14 -0.13 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 1nh0 s ILE 72 Cb 0.03 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.17 1nh0 s ILE 72 CO -0.03 0.18 0.19 0.61 -1.91 0.00 0.00 174.94 173.99 1nh0 n GLY 73 N 3.71 0.49 3.79 1.50 0.00 -0.59 -4.89 105.19 109.20 1nh0 n GLY 73 Ca -0.22 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 1nh0 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nh0 s THR 74 N -2.08 4.54 -0.05 2.61 2.01 -1.26 -0.99 115.64 120.42 1nh0 s THR 74 Ca 0.05 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.58 1nh0 s THR 74 Cb -0.00 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.47 1nh0 s THR 74 CO -0.00 0.53 -0.17 0.68 -0.69 0.00 0.00 174.62 174.97 1nh0 s VAL 75 N -1.07 1.41 -0.19 3.82 -7.23 -0.02 -4.49 120.40 112.63 1nh0 s VAL 75 Ca 0.33 -0.69 -0.09 0.00 -1.81 0.00 0.00 61.98 59.71 1nh0 s VAL 75 Cb -0.21 -1.22 -0.05 0.00 0.56 0.00 0.00 36.38 35.46 1nh0 s VAL 75 CO 0.23 0.41 0.12 -0.76 -0.31 0.00 0.00 175.10 174.79 1nh0 s LEU 76 N 0.14 4.15 -0.18 1.32 1.43 0.15 -0.84 118.68 124.85 1nh0 s LEU 76 Ca -0.06 0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1nh0 s LEU 76 Cb -0.12 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 1nh0 s LEU 76 CO 0.03 0.19 -0.04 -0.69 0.23 0.00 0.00 176.35 176.06 1nh0 s VAL 77 N 0.32 3.70 0.02 -1.59 1.01 0.12 -0.49 120.40 123.49 1nh0 s VAL 77 Ca 0.07 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1nh0 s VAL 77 Cb -0.11 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.66 1nh0 s VAL 77 CO -0.02 0.46 0.51 0.61 0.00 0.00 0.00 175.10 176.67 1nh0 n GLY 78 N 4.02 0.64 2.35 4.51 0.00 -0.75 -0.93 105.19 115.04 1nh0 n GLY 78 Ca -0.18 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1nh0 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nh0 n PRO 79 N -0.37 3.87 -3.09 1.61 -0.04 -1.26 -4.28 135.00 131.43 1nh0 n PRO 79 Ca 0.01 -2.56 -0.37 0.00 -0.04 0.00 0.00 63.50 60.53 1nh0 n PRO 79 Cb 0.25 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 1nh0 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nh0 s THR 80 N 0.81 4.54 -0.23 0.52 -1.32 -1.26 -4.97 115.64 113.74 1nh0 s THR 80 Ca 0.64 1.39 0.29 0.00 -1.21 0.00 0.00 61.69 62.80 1nh0 s THR 80 Cb 0.20 -3.95 0.34 0.00 -1.51 0.00 0.00 72.50 67.58 1nh0 s THR 80 CO -0.07 0.35 1.83 -0.65 -2.21 0.00 0.00 174.62 173.87 1nh0 h PRO 81 N 3.85 0.00 -3.55 7.08 0.11 -1.98 -3.44 132.00 134.07 1nh0 h PRO 81 Ca -0.48 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.39 1nh0 h PRO 81 Cb 1.20 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.01 1nh0 h PRO 81 CO 0.65 0.00 -0.67 0.08 -0.21 0.00 0.00 178.00 177.85 1nh0 s VAL 82 N -3.44 -0.02 0.15 3.15 1.01 -1.26 -5.13 120.40 114.86 1nh0 s VAL 82 Ca 0.04 0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 1nh0 s VAL 82 Cb 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 36.38 36.29 1nh0 s VAL 82 CO 0.53 0.03 1.35 0.20 0.00 0.00 0.00 175.10 177.22 1nh0 s ASN 83 N 0.44 6.86 -0.09 3.32 0.01 -1.26 -4.85 114.94 119.36 1nh0 s ASN 83 Ca -0.03 2.35 0.03 0.00 -0.71 0.00 0.00 52.86 54.50 1nh0 s ASN 83 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.02 1nh0 s ASN 83 CO -0.02 -0.60 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.16 1nh0 s ILE 84 N 0.67 1.67 -0.43 0.60 1.01 -0.05 -0.41 121.20 124.26 1nh0 s ILE 84 Ca 0.61 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 60.31 1nh0 s ILE 84 Cb -0.37 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.66 1nh0 s ILE 84 CO 0.34 0.47 0.42 -0.63 0.00 0.00 0.00 174.94 175.54 1nh0 s ILE 85 N 0.60 5.13 0.37 2.92 -1.09 0.29 -1.27 121.20 128.14 1nh0 s ILE 85 Ca -0.14 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1nh0 s ILE 85 Cb -0.17 -4.05 0.07 0.00 -1.58 0.00 0.00 42.46 36.74 1nh0 s ILE 85 CO 0.05 -0.45 0.50 0.61 -1.23 0.00 0.00 174.94 174.41 1nh0 n GLY 86 N 5.14 0.95 0.23 6.18 0.00 -1.17 -0.94 105.19 115.58 1nh0 n GLY 86 Ca -0.09 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 43.97 1nh0 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nh0 h ARG 87 N 0.00 0.00 -0.42 1.61 3.08 -1.02 -0.97 114.38 116.67 1nh0 h ARG 87 Ca -0.17 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.94 1nh0 h ARG 87 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1nh0 h ARG 87 CO 0.19 0.15 0.28 -2.95 -1.07 0.00 0.00 179.97 176.58 1nh0 h ASN 88 N 0.00 0.27 0.01 7.04 -1.07 -1.77 -1.98 115.58 118.09 1nh0 h ASN 88 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 56.30 56.04 1nh0 h ASN 88 Cb 0.29 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 36.42 1nh0 h ASN 88 CO 0.02 0.18 -2.34 0.18 0.07 0.00 0.00 177.43 175.54 1nh0 n LEU 89 N -4.47 0.02 -0.37 6.14 4.77 -0.70 -4.30 117.00 118.09 1nh0 n LEU 89 Ca 0.05 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 1nh0 n LEU 89 Cb 0.26 0.44 0.16 0.00 -2.33 0.00 0.00 43.42 41.95 1nh0 n LEU 89 CO 0.35 0.45 1.28 -0.07 -1.33 0.00 0.00 177.39 178.06 1nh0 h LEU 90 N 0.00 1.08 -1.43 2.23 3.38 -0.93 -0.95 115.31 118.68 1nh0 h LEU 90 Ca -0.49 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 1nh0 h LEU 90 Cb 2.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 1nh0 h LEU 90 CO 0.03 0.73 0.30 0.71 0.09 0.00 0.00 178.44 180.29 1nh0 h THR 91 N 1.24 1.15 0.00 0.22 1.35 -1.58 -1.68 112.91 113.62 1nh0 h THR 91 Ca 0.40 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.91 1nh0 h THR 91 Cb 0.03 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1nh0 h THR 91 CO -0.13 0.15 -0.09 1.56 -0.25 0.00 0.00 175.52 176.77 1nh0 h GLN 92 N 0.69 0.00 -0.37 4.72 1.08 -1.36 -2.64 115.11 117.24 1nh0 h GLN 92 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1nh0 h GLN 92 Cb -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.41 1nh0 h GLN 92 CO -0.03 0.09 0.00 0.44 -0.95 0.00 0.00 178.83 178.37 1nh0 n ILE 93 N -3.18 0.47 -1.80 2.54 -5.35 -1.09 -4.88 119.36 106.06 1nh0 n ILE 93 Ca 0.01 -0.73 -0.04 0.00 -0.27 0.00 0.00 62.75 61.72 1nh0 n ILE 93 Cb 0.41 1.00 -0.01 0.00 -1.74 0.00 0.00 39.64 39.30 1nh0 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nh0 n GLY 94 N 1.50 0.34 3.73 3.28 0.00 -1.00 -5.00 105.19 108.04 1nh0 n GLY 94 Ca 0.19 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1nh0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nh0 s THR 96 N 0.02 1.35 -0.05 0.00 -4.23 -1.26 -4.62 115.64 106.85 1nh0 s THR 96 Ca 0.47 -2.11 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 1nh0 s THR 96 Cb -0.23 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1nh0 s THR 96 CO 0.29 -0.69 0.30 -0.76 -0.54 0.00 0.00 174.62 173.23 1nh0 s LEU 97 N -3.22 4.43 -0.01 4.79 1.43 -1.26 -5.09 118.68 119.75 1nh0 s LEU 97 Ca 0.19 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.05 1nh0 s LEU 97 Cb 0.02 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1nh0 s LEU 97 CO 0.03 0.34 -0.02 0.20 0.23 0.00 0.00 176.35 177.13 1nh0 s ASN 98 N -0.96 0.34 0.00 2.29 -0.87 -1.26 -5.29 114.94 109.20 1nh0 s ASN 98 Ca 0.20 -0.04 0.00 0.00 -1.57 0.00 0.00 52.86 51.45 1nh0 s ASN 98 Cb -0.15 -0.08 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 1nh0 s ASN 98 CO 0.09 0.00 0.00 2.22 -2.57 0.00 0.00 177.10 176.85