#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3liv s VAL 2 N 0.00 5.07 -0.36 0.52 1.01 -1.26 -5.06 120.40 120.32 3liv s VAL 2 Ca 0.00 1.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.94 3liv s VAL 2 Cb 0.00 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3liv s VAL 2 CO 0.00 0.16 0.18 -0.63 0.00 0.00 0.00 175.10 174.81 3liv s ILE 3 N 1.69 4.35 0.81 2.22 1.01 -1.26 -5.10 121.20 124.92 3liv s ILE 3 Ca 0.26 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3liv s ILE 3 Cb -0.16 -3.44 0.08 0.00 0.01 0.00 0.00 42.46 38.95 3liv s ILE 3 CO 0.10 -0.22 1.09 -2.16 0.00 0.00 0.00 174.94 173.75 3liv s PRO 4 N 1.51 1.99 -0.16 2.79 0.04 -1.26 -5.03 135.00 134.88 3liv s PRO 4 Ca 0.01 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.08 3liv s PRO 4 Cb -0.19 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3liv s PRO 4 CO 0.06 -1.79 -0.19 -0.51 0.04 0.00 0.00 177.00 174.61 3liv s LEU 5 N -5.98 2.22 -0.03 -3.56 1.43 -1.26 -4.90 118.68 106.61 3liv s LEU 5 Ca 0.62 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3liv s LEU 5 Cb -0.17 -1.49 0.02 0.00 0.03 0.00 0.00 46.19 44.58 3liv s LEU 5 CO 0.56 0.05 -0.01 -0.62 0.23 0.00 0.00 176.35 176.57 3liv s ASP 6 N 0.98 0.41 0.33 2.29 -1.08 -1.26 -5.04 116.67 113.30 3liv s ASP 6 Ca -0.03 -0.03 0.06 0.00 -0.52 0.00 0.00 52.55 52.03 3liv s ASP 6 Cb -0.15 -0.20 0.58 0.00 -1.46 0.00 0.00 42.92 41.69 3liv s ASP 6 CO -0.05 -0.08 1.82 1.55 0.52 0.00 0.00 175.17 178.93 3liv h PRO 7 N 7.08 0.38 0.00 4.34 0.13 -2.02 -2.82 132.00 139.08 3liv h PRO 7 Ca -0.41 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3liv h PRO 7 Cb 1.14 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3liv h PRO 7 CO 0.48 0.55 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 3liv h ALA 8 N 1.47 1.00 -3.19 -0.56 0.00 -2.05 -3.41 119.26 112.52 3liv h ALA 8 Ca 0.06 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 3liv h ALA 8 Cb 0.51 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.91 3liv h ALA 8 CO 0.03 0.00 -0.76 0.50 0.00 0.00 0.00 179.25 179.02 3liv s ARG 9 N -3.57 0.72 -0.07 0.00 3.52 -1.06 -5.11 118.95 113.37 3liv s ARG 9 Ca 0.02 -0.90 -0.39 0.00 -0.13 0.00 0.00 55.73 54.33 3liv s ARG 9 Cb 0.09 -2.00 -0.17 0.00 -1.56 0.00 0.00 34.95 31.31 3liv s ARG 9 CO 0.48 -0.89 1.47 0.54 -0.81 0.00 0.00 175.30 176.09 3liv n ARG 10 N 4.90 1.00 -2.26 5.12 1.74 -1.26 -4.32 116.66 121.58 3liv n ARG 10 Ca -0.04 0.36 -0.43 0.00 -0.77 0.00 0.00 57.85 56.97 3liv n ARG 10 Cb 0.43 -2.00 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 3liv n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3liv s PRO 11 N 1.63 3.70 0.31 5.56 0.04 -1.26 -4.98 135.00 140.00 3liv s PRO 11 Ca 0.91 1.29 0.10 0.00 0.04 0.00 0.00 61.00 63.34 3liv s PRO 11 Cb -1.05 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 29.43 3liv s PRO 11 CO 0.56 -1.40 -0.08 0.14 0.04 0.00 0.00 177.00 176.26 3liv s VAL 12 N 5.25 2.64 -0.01 -0.36 -7.23 -1.26 -0.52 120.40 118.90 3liv s VAL 12 Ca 0.65 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.57 3liv s VAL 12 Cb -0.19 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.14 3liv s VAL 12 CO 0.29 -0.29 0.22 -0.51 -0.31 0.00 0.00 175.10 174.50 3liv s ILE 13 N -2.50 0.06 -0.43 -0.62 2.07 0.21 -4.88 121.20 115.10 3liv s ILE 13 Ca 0.32 -0.54 -0.25 0.00 -1.41 0.00 0.00 60.65 58.78 3liv s ILE 13 Cb -0.02 -0.50 0.02 0.00 0.13 0.00 0.00 42.46 42.10 3liv s ILE 13 CO 0.18 -0.29 0.91 -0.54 -1.91 0.00 0.00 174.94 173.28 3liv s LYS 14 N -1.21 3.60 -0.02 3.50 1.02 -1.26 -0.02 119.74 125.35 3liv s LYS 14 Ca -0.13 0.24 0.07 0.00 0.02 0.00 0.00 55.97 56.17 3liv s LYS 14 Cb -0.06 -3.89 -0.02 0.00 -0.52 0.00 0.00 37.83 33.33 3liv s LYS 14 CO 0.03 -1.13 -0.23 0.00 -0.92 0.00 0.00 175.35 173.09 3liv s ALA 15 N 3.62 2.30 -0.28 5.17 0.00 0.03 -4.11 121.76 128.49 3liv s ALA 15 Ca 0.36 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.12 3liv s ALA 15 Cb -0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3liv s ALA 15 CO 0.24 0.54 0.14 -1.14 0.00 0.00 0.00 175.76 175.54 3liv s GLN 16 N -0.74 3.66 -0.19 0.00 0.74 -0.58 -0.38 119.66 122.16 3liv s GLN 16 Ca 0.11 -0.50 -0.05 0.00 0.05 0.00 0.00 55.36 54.98 3liv s GLN 16 Cb -0.10 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.47 3liv s GLN 16 CO -0.00 -0.26 -0.02 0.08 -0.55 0.00 0.00 175.29 174.55 3liv s VAL 17 N 1.67 3.84 -0.39 1.34 1.01 0.10 -1.07 120.40 126.91 3liv s VAL 17 Ca 0.06 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 3liv s VAL 17 Cb -0.16 -2.73 0.06 0.00 0.00 0.00 0.00 36.38 33.55 3liv s VAL 17 CO 0.07 0.44 0.21 -0.62 0.00 0.00 0.00 175.10 175.20 3liv s ASP 18 N 0.94 5.57 0.00 3.32 -1.08 0.68 -2.11 116.67 123.98 3liv s ASP 18 Ca 0.01 -1.31 0.28 0.00 -0.52 0.00 0.00 52.55 51.01 3liv s ASP 18 Cb -0.14 -1.96 1.09 0.00 -1.46 0.00 0.00 42.92 40.45 3liv s ASP 18 CO 0.02 -0.45 1.82 0.35 0.52 0.00 0.00 175.17 177.43 3liv n THR 19 N 4.90 0.00 -0.98 1.71 -2.24 -1.26 -0.98 114.28 115.43 3liv n THR 19 Ca -0.11 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3liv n THR 19 Cb 0.44 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 3liv n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3liv n GLN 20 N -1.49 -0.15 0.00 -0.78 6.02 -1.26 -4.80 117.38 114.91 3liv n GLN 20 Ca 0.07 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3liv n GLN 20 Cb 0.34 -3.06 -0.00 0.00 1.02 0.00 0.00 30.24 28.53 3liv n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3liv n THR 21 N -2.55 0.00 -3.73 5.09 -2.24 -1.26 -5.05 114.28 104.54 3liv n THR 21 Ca 0.00 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.25 3liv n THR 21 Cb 0.04 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.29 3liv n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3liv n SER 22 N -0.74 -1.58 -4.74 3.42 3.41 -1.26 -4.58 113.62 107.55 3liv n SER 22 Ca 0.00 -1.96 -0.36 0.00 -0.26 0.00 0.00 58.87 56.30 3liv n SER 22 Cb 0.01 2.60 0.05 0.00 -0.26 0.00 0.00 64.21 66.61 3liv n SER 22 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3liv s HIS 23 N -3.19 2.28 0.53 7.33 0.00 -1.26 -4.57 115.29 116.41 3liv s HIS 23 Ca 0.16 1.53 -0.22 0.00 -3.00 0.00 0.00 55.06 53.53 3liv s HIS 23 Cb -0.03 -3.50 -0.06 0.00 -4.00 0.00 0.00 32.58 25.00 3liv s HIS 23 CO 0.07 -2.38 1.30 -2.30 -1.00 0.00 0.00 174.74 170.43 3liv n PRO 24 N -1.91 1.67 -3.94 -0.38 -0.02 -1.26 -4.84 135.00 124.31 3liv n PRO 24 Ca 0.14 0.61 -0.11 0.00 -2.02 0.00 0.00 63.50 62.12 3liv n PRO 24 Cb 0.50 -2.50 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 3liv n PRO 24 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3liv s LYS 25 N -2.73 0.19 0.18 -0.52 1.02 -0.90 -4.92 119.74 112.06 3liv s LYS 25 Ca 0.70 -0.35 -0.27 0.00 0.02 0.00 0.00 55.97 56.07 3liv s LYS 25 Cb -0.43 0.03 -0.08 0.00 -0.52 0.00 0.00 37.83 36.83 3liv s LYS 25 CO 0.51 -0.02 0.85 0.99 -0.92 0.00 0.00 175.35 176.76 3liv s THR 26 N -0.80 4.29 0.05 2.17 2.01 -1.26 0.03 115.64 122.13 3liv s THR 26 Ca -0.08 1.88 -0.02 0.00 0.31 0.00 0.00 61.69 63.77 3liv s THR 26 Cb -0.06 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 3liv s THR 26 CO -0.00 0.48 0.01 0.27 -0.69 0.00 0.00 174.62 174.69 3liv s ILE 27 N -0.98 0.18 -0.28 1.82 -4.36 0.49 -4.95 121.20 113.12 3liv s ILE 27 Ca 0.39 -1.50 -0.13 0.00 -0.26 0.00 0.00 60.65 59.15 3liv s ILE 27 Cb -0.24 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.24 3liv s ILE 27 CO 0.28 -0.83 0.30 -1.61 0.24 0.00 0.00 174.94 173.33 3liv s GLU 28 N -3.29 3.94 0.08 0.37 2.02 -1.26 -0.79 118.70 119.77 3liv s GLU 28 Ca 0.01 -0.14 0.07 0.00 0.02 0.00 0.00 54.97 54.93 3liv s GLU 28 Cb 0.03 -3.67 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 3liv s GLU 28 CO -0.08 -0.27 -0.13 0.00 0.02 0.00 0.00 175.26 174.80 3liv s ALA 29 N 1.95 2.83 -0.23 5.21 0.00 0.97 -4.65 121.76 127.85 3liv s ALA 29 Ca 0.12 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.61 3liv s ALA 29 Cb -0.16 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 3liv s ALA 29 CO 0.10 0.61 0.76 -1.17 0.00 0.00 0.00 175.76 176.06 3liv s LEU 30 N -1.94 4.10 -0.52 0.00 2.96 0.31 -0.62 118.68 122.98 3liv s LEU 30 Ca 0.19 0.96 -0.28 0.00 -0.22 0.00 0.00 54.13 54.77 3liv s LEU 30 Cb -0.11 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.52 3liv s LEU 30 CO 0.10 -0.43 1.39 -0.76 -1.32 0.00 0.00 176.35 175.34 3liv s LEU 31 N 2.51 3.47 -0.28 -0.68 1.02 0.32 -0.66 118.68 124.38 3liv s LEU 31 Ca 0.33 0.44 0.00 0.00 0.02 0.00 0.00 54.13 54.91 3liv s LEU 31 Cb -0.16 -3.22 0.08 0.00 0.02 0.00 0.00 46.19 42.92 3liv s LEU 31 CO 0.09 -1.60 0.04 -0.62 0.02 0.00 0.00 176.35 174.27 3liv s ASP 32 N 4.15 4.02 0.00 2.29 -1.08 -0.08 -4.81 116.67 121.15 3liv s ASP 32 Ca 0.54 -1.53 0.26 0.00 -0.52 0.00 0.00 52.55 51.31 3liv s ASP 32 Cb -0.11 -1.08 1.23 0.00 -1.46 0.00 0.00 42.92 41.49 3liv s ASP 32 CO 0.27 -0.35 1.87 0.35 0.52 0.00 0.00 175.17 177.83 3liv n THR 33 N 4.70 0.19 1.15 1.71 -2.24 -1.26 -2.18 114.28 116.35 3liv n THR 33 Ca -0.04 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3liv n THR 33 Cb 0.43 -0.61 0.24 0.00 -2.10 0.00 0.00 70.33 68.29 3liv n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3liv n GLY 34 N 1.05 0.69 3.63 3.38 0.00 -1.26 -4.85 105.19 107.84 3liv n GLY 34 Ca 0.10 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 3liv n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3liv s ALA 35 N -1.99 3.57 0.29 4.61 0.00 -0.92 -4.97 121.76 122.35 3liv s ALA 35 Ca 0.31 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.62 3liv s ALA 35 Cb 0.20 -2.70 0.45 0.00 0.00 0.00 0.00 23.12 21.08 3liv s ALA 35 CO 0.31 -0.53 1.78 -0.44 0.00 0.00 0.00 175.76 176.88 3liv h ASP 36 N 7.83 0.55 -4.43 0.00 3.32 -1.89 -1.45 116.42 120.35 3liv h ASP 36 Ca -0.33 -0.15 -0.28 0.00 0.02 0.00 0.00 57.03 56.30 3liv h ASP 36 Cb 1.16 -0.15 -0.24 0.00 0.22 0.00 0.00 39.33 40.32 3liv h ASP 36 CO 0.68 0.70 -0.74 -0.32 -1.72 0.00 0.00 179.24 177.85 3liv s MET 37 N -4.76 0.43 0.50 3.56 1.75 -1.26 -3.68 119.30 115.84 3liv s MET 37 Ca -0.08 -0.50 -0.21 0.00 -1.25 0.00 0.00 55.69 53.65 3liv s MET 37 Cb 0.14 -0.26 -0.07 0.00 2.84 0.00 0.00 34.83 37.49 3liv s MET 37 CO 0.79 0.06 1.17 0.99 -0.65 0.00 0.00 175.02 177.37 3liv s THR 38 N -0.87 3.04 -0.07 10.11 2.01 -1.26 -4.49 115.64 124.11 3liv s THR 38 Ca -0.06 0.73 0.05 0.00 0.31 0.00 0.00 61.69 62.72 3liv s THR 38 Cb -0.07 -3.34 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 3liv s THR 38 CO 0.00 -0.06 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.96 3liv s VAL 39 N -1.61 1.87 0.10 3.82 1.01 -0.55 -1.08 120.40 123.97 3liv s VAL 39 Ca 0.68 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3liv s VAL 39 Cb -0.28 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3liv s VAL 39 CO 0.33 0.52 -0.16 0.27 0.00 0.00 0.00 175.10 176.06 3liv s ILE 40 N 0.14 1.35 0.65 2.22 -4.36 -0.31 -0.73 121.20 120.16 3liv s ILE 40 Ca -0.11 -1.55 -0.17 0.00 -0.26 0.00 0.00 60.65 58.57 3liv s ILE 40 Cb -0.15 -1.39 -0.00 0.00 1.25 0.00 0.00 42.46 42.17 3liv s ILE 40 CO 0.05 -0.27 1.19 -2.84 0.24 0.00 0.00 174.94 173.31 3liv s PRO 41 N -2.20 2.64 0.54 0.37 0.02 -0.99 -1.13 135.00 134.26 3liv s PRO 41 Ca 0.05 1.73 0.32 0.00 0.02 0.00 0.00 61.00 63.12 3liv s PRO 41 Cb -0.08 -1.90 1.45 0.00 0.02 0.00 0.00 34.50 33.99 3liv s PRO 41 CO 0.03 -1.44 2.03 0.97 -0.33 0.00 0.00 177.00 178.26 3liv h ILE 42 N 0.32 0.22 -0.02 2.83 6.09 -1.70 -3.19 117.51 122.06 3liv h ILE 42 Ca -0.49 -0.56 0.01 0.00 -1.37 0.00 0.00 64.86 62.44 3liv h ILE 42 Cb 1.29 1.46 -0.00 0.00 0.47 0.00 0.00 36.82 40.04 3liv h ILE 42 CO 0.53 0.07 0.03 0.00 -3.07 0.00 0.00 178.15 175.70 3liv h ALA 43 N 1.93 1.51 0.00 0.18 0.00 -1.92 -1.19 119.26 119.78 3liv h ALA 43 Ca -0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3liv h ALA 43 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3liv h ALA 43 CO 0.01 -0.04 -0.48 -0.07 0.00 0.00 0.00 179.25 178.67 3liv h LEU 44 N 0.00 0.00-10.51 0.00 3.38 -1.95 -3.46 115.31 102.77 3liv h LEU 44 Ca 0.01 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.53 3liv h LEU 44 Cb 0.06 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.87 3liv h LEU 44 CO -0.00 0.48 0.08 -0.36 0.09 0.00 0.00 178.44 178.74 3liv s PHE 45 N -3.91 2.94 0.11 1.13 0.40 -0.45 -4.70 117.98 113.50 3liv s PHE 45 Ca -0.02 0.24 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 3liv s PHE 45 Cb 0.13 -2.89 -0.06 0.00 0.51 0.00 0.00 43.02 40.71 3liv s PHE 45 CO 0.74 -1.04 0.39 0.45 0.70 0.00 0.00 175.22 176.46 3liv s SER 46 N -4.43 6.57 0.51 1.36 0.15 -1.26 -4.99 113.70 111.61 3liv s SER 46 Ca 0.57 0.71 0.36 0.00 0.70 0.00 0.00 55.95 58.29 3liv s SER 46 Cb -0.10 -2.14 1.51 0.00 -1.71 0.00 0.00 66.02 63.57 3liv s SER 46 CO 0.41 0.12 1.73 0.28 1.20 0.00 0.00 173.24 176.99 3liv h SER 47 N 3.34 0.09 0.00 5.45 0.02 -1.98 -3.31 113.55 117.17 3liv h SER 47 Ca -0.48 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3liv h SER 47 Cb 1.18 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.74 3liv h SER 47 CO 0.69 -0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.96 3liv n ASN 48 N -4.26 0.00 -0.89 3.07 4.13 -1.26 -5.00 115.26 111.05 3liv n ASN 48 Ca 0.31 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.57 3liv n ASN 48 Cb 1.37 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.61 3liv n ASN 48 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3liv n THR 49 N -0.07 -1.77 -2.17 3.41 -1.04 -1.25 -4.99 114.28 106.40 3liv n THR 49 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.59 3liv n THR 49 Cb 0.00 -2.40 -0.03 0.00 -1.82 0.00 0.00 70.33 66.08 3liv n THR 49 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3liv s PRO 50 N -1.41 4.31 -0.03 -2.82 0.02 -1.26 -5.03 135.00 128.77 3liv s PRO 50 Ca 0.00 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.11 3liv s PRO 50 Cb 0.00 -3.34 0.01 0.00 0.02 0.00 0.00 34.50 31.19 3liv s PRO 50 CO 0.00 -0.48 -0.09 -0.51 -0.33 0.00 0.00 177.00 175.58 3liv s LEU 51 N 1.47 1.72 0.51 -5.54 1.43 -1.26 -4.19 118.68 112.81 3liv s LEU 51 Ca 0.65 -0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.35 3liv s LEU 51 Cb -0.36 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 3liv s LEU 51 CO 0.30 0.05 1.06 -0.54 0.23 0.00 0.00 176.35 177.45 3liv s LYS 52 N 0.34 3.65 0.70 1.70 1.02 -1.02 -4.85 119.74 121.28 3liv s LYS 52 Ca -0.06 1.40 -0.11 0.00 0.02 0.00 0.00 55.97 57.22 3liv s LYS 52 Cb -0.10 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.15 3liv s LYS 52 CO 0.01 -0.57 1.06 -0.80 -0.92 0.00 0.00 175.35 174.14 3liv s ASN 53 N -2.03 5.34 -0.29 2.83 0.01 -1.26 -1.28 114.94 118.26 3liv s ASN 53 Ca 0.68 1.61 -0.24 0.00 -0.71 0.00 0.00 52.86 54.21 3liv s ASN 53 Cb -0.18 -2.48 0.14 0.00 0.41 0.00 0.00 41.25 39.13 3liv s ASN 53 CO 0.23 -1.47 1.09 0.28 -1.51 0.00 0.00 177.10 175.72 3liv s THR 54 N -3.04 0.00 -0.01 1.60 -1.32 -1.26 -4.67 115.64 106.94 3liv s THR 54 Ca 0.58 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.89 3liv s THR 54 Cb -0.14 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 3liv s THR 54 CO 0.55 0.00 0.49 -0.55 -2.21 0.00 0.00 174.62 172.90 3liv s SER 55 N 0.33 6.86 -0.04 8.08 0.15 -1.26 -4.47 113.70 123.35 3liv s SER 55 Ca 0.02 1.02 0.01 0.00 0.70 0.00 0.00 55.95 57.70 3liv s SER 55 Cb -0.05 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 3liv s SER 55 CO -0.09 0.20 -0.03 -0.69 1.20 0.00 0.00 173.24 173.83 3liv s VAL 56 N -0.52 0.39 -0.24 4.45 1.01 -0.27 -4.98 120.40 120.25 3liv s VAL 56 Ca 0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 62.12 3liv s VAL 56 Cb -0.17 -0.44 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 3liv s VAL 56 CO 0.14 0.19 0.11 -0.22 0.00 0.00 0.00 175.10 175.33 3liv s LEU 57 N 0.94 3.79 0.00 3.92 0.20 -1.26 -1.20 118.68 125.07 3liv s LEU 57 Ca -0.11 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.73 3liv s LEU 57 Cb -0.14 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.59 3liv s LEU 57 CO -0.01 0.04 0.16 0.61 -0.29 0.00 0.00 176.35 176.86 3liv n GLY 58 N 4.47 3.19 0.37 7.98 0.00 -0.78 -5.03 105.19 115.40 3liv n GLY 58 Ca -0.16 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.88 3liv n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3liv h ALA 59 N 1.72 1.79 0.00 4.61 0.00 -2.03 -2.13 119.26 123.22 3liv h ALA 59 Ca -0.31 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3liv h ALA 59 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3liv h ALA 59 CO 0.49 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3liv n GLY 60 N -1.43 -0.47 0.00 0.00 0.00 -1.26 -4.98 105.19 97.06 3liv n GLY 60 Ca 0.16 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3liv n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3liv n GLY 61 N -0.29 -0.77 3.84 -0.02 0.00 -0.80 -5.04 105.19 102.11 3liv n GLY 61 Ca 0.08 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 3liv n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3liv s GLN 62 N 0.00 3.94 -0.04 1.61 2.00 -1.26 -1.86 119.66 124.05 3liv s GLN 62 Ca 0.00 0.43 0.01 0.00 -2.00 0.00 0.00 55.36 53.80 3liv s GLN 62 Cb 0.00 -3.15 0.02 0.00 0.80 0.00 0.00 33.01 30.68 3liv s GLN 62 CO 0.00 0.63 -0.03 -0.08 -0.50 0.00 0.00 175.29 175.31 3liv s THR 63 N -1.19 0.42 -0.23 -0.34 -1.32 -0.34 -4.99 115.64 107.66 3liv s THR 63 Ca 0.28 -0.07 0.22 0.00 -1.21 0.00 0.00 61.69 60.91 3liv s THR 63 Cb -0.16 -0.46 -0.00 0.00 -1.51 0.00 0.00 72.50 70.36 3liv s THR 63 CO 0.16 0.19 1.05 1.56 -2.21 0.00 0.00 174.62 175.37 3liv h GLN 64 N 7.11 0.00 0.00 7.08 1.08 -1.87 -0.70 115.11 127.81 3liv h GLN 64 Ca -0.39 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 3liv h GLN 64 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3liv h GLN 64 CO 0.48 0.05 -0.07 -0.40 -0.95 0.00 0.00 178.83 177.93 3liv n ASP 65 N -2.74 0.35 -0.15 1.46 5.68 -1.26 -4.17 116.55 115.72 3liv n ASP 65 Ca -0.01 -0.14 -0.11 0.00 -0.50 0.00 0.00 54.79 54.03 3liv n ASP 65 Cb 0.59 0.35 -0.01 0.00 -1.14 0.00 0.00 41.12 40.91 3liv n ASP 65 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3liv h HIS 66 N 0.00 1.00 -3.57 2.11 3.86 -1.89 -3.44 115.15 113.22 3liv h HIS 66 Ca 0.00 -0.23 -0.68 0.00 -1.16 0.00 0.00 60.37 58.30 3liv h HIS 66 Cb 0.00 -0.24 -0.19 0.00 1.06 0.00 0.00 27.41 28.04 3liv h HIS 66 CO 0.00 1.00 -0.68 -0.06 0.86 0.00 0.00 177.93 179.05 3liv s PHE 67 N -4.75 2.98 0.37 2.45 0.40 -1.26 -0.24 117.98 117.93 3liv s PHE 67 Ca -0.12 -0.00 0.08 0.00 -0.60 0.00 0.00 56.93 56.29 3liv s PHE 67 Cb 0.11 -1.75 -0.07 0.00 0.51 0.00 0.00 43.02 41.82 3liv s PHE 67 CO 0.84 0.30 -0.03 0.15 0.70 0.00 0.00 175.22 177.18 3liv s LYS 68 N -0.66 1.87 0.01 0.44 1.02 0.94 -4.07 119.74 119.29 3liv s LYS 68 Ca 0.10 -2.02 0.01 0.00 0.02 0.00 0.00 55.97 54.08 3liv s LYS 68 Cb -0.11 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 3liv s LYS 68 CO 0.02 0.02 0.07 -1.17 -0.92 0.00 0.00 175.35 173.37 3liv s LEU 69 N -3.65 3.81 0.40 3.17 2.96 -0.40 0.94 118.68 125.90 3liv s LEU 69 Ca 0.34 0.09 -0.24 0.00 -0.22 0.00 0.00 54.13 54.09 3liv s LEU 69 Cb 0.07 -2.27 -0.09 0.00 0.50 0.00 0.00 46.19 44.40 3liv s LEU 69 CO 0.17 0.25 1.07 0.42 -1.32 0.00 0.00 176.35 176.95 3liv s THR 70 N -1.21 3.59 0.03 3.68 -4.23 -0.65 -2.42 115.64 114.42 3liv s THR 70 Ca 0.24 1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 61.81 3liv s THR 70 Cb -0.12 -3.64 -0.29 0.00 1.34 0.00 0.00 72.50 69.79 3liv s THR 70 CO 0.15 0.02 1.06 0.28 -0.54 0.00 0.00 174.62 175.58 3liv h SER 71 N 2.47 0.75 -2.72 3.99 0.02 -1.93 -3.44 113.55 112.70 3liv h SER 71 Ca -0.48 -0.84 -0.60 0.00 -0.84 0.00 0.00 61.79 59.02 3liv h SER 71 Cb 1.22 -0.24 -0.12 0.00 0.14 0.00 0.00 62.40 63.40 3liv h SER 71 CO 0.62 1.52 -0.68 -0.76 -1.14 0.00 0.00 176.83 176.39 3liv s LEU 72 N -7.93 3.12 0.81 5.07 1.43 -1.26 -5.04 118.68 114.88 3liv s LEU 72 Ca -0.11 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.30 3liv s LEU 72 Cb 0.04 -1.74 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3liv s LEU 72 CO 0.90 0.07 1.12 -2.65 0.23 0.00 0.00 176.35 176.01 3liv n PRO 73 N -0.29 0.17 -4.88 1.29 -0.02 -1.22 -4.75 135.00 125.29 3liv n PRO 73 Ca -0.09 0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 3liv n PRO 73 Cb 0.56 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 3liv n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3liv s VAL 74 N -2.12 2.80 -0.16 -1.45 1.01 -0.63 -4.66 120.40 115.18 3liv s VAL 74 Ca 0.72 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.85 3liv s VAL 74 Cb -0.29 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 3liv s VAL 74 CO 0.52 0.53 0.17 -0.76 0.00 0.00 0.00 175.10 175.57 3liv s LEU 75 N 0.36 4.28 -0.06 3.92 1.43 -0.15 -1.10 118.68 127.37 3liv s LEU 75 Ca -0.13 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 3liv s LEU 75 Cb -0.16 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3liv s LEU 75 CO 0.06 0.25 -0.17 -0.63 0.23 0.00 0.00 176.35 176.09 3liv s ILE 76 N -0.12 1.48 -0.21 -0.59 1.01 0.31 -0.23 121.20 122.84 3liv s ILE 76 Ca 0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 3liv s ILE 76 Cb -0.12 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.09 3liv s ILE 76 CO 0.02 0.43 -0.13 -0.60 0.00 0.00 0.00 174.94 174.65 3liv s ARG 77 N 0.19 2.93 0.39 2.79 6.06 -0.23 -1.23 118.95 129.84 3liv s ARG 77 Ca -0.08 -0.89 -0.06 0.00 -2.50 0.00 0.00 55.73 52.20 3liv s ARG 77 Cb -0.13 -2.78 -0.05 0.00 0.06 0.00 0.00 34.95 32.05 3liv s ARG 77 CO 0.03 -0.30 0.69 -0.51 -2.50 0.00 0.00 175.30 172.72 3liv s LEU 78 N 1.31 3.84 0.47 -0.88 1.43 -1.26 -1.53 118.68 122.05 3liv s LEU 78 Ca 0.02 0.88 0.18 0.00 -1.03 0.00 0.00 54.13 54.18 3liv s LEU 78 Cb -0.15 -3.76 1.15 0.00 0.03 0.00 0.00 46.19 43.46 3liv s LEU 78 CO -0.08 -0.40 2.02 -0.65 0.23 0.00 0.00 176.35 177.47 3liv h PRO 79 N 0.95 0.00 0.00 1.29 0.11 -2.01 -3.34 132.00 129.00 3liv h PRO 79 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3liv h PRO 79 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3liv h PRO 79 CO 0.63 0.16 -0.14 0.27 -0.21 0.00 0.00 178.00 178.71 3liv h PHE 80 N 0.00 0.00 -2.86 0.65 -0.00 -1.95 -3.47 116.94 109.32 3liv h PHE 80 Ca -0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.97 57.43 3liv h PHE 80 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.28 3liv h PHE 80 CO 0.00 0.00 0.86 1.03 -0.00 0.00 0.00 178.31 180.20 3liv s ARG 81 N -1.46 4.26 0.10 6.09 0.52 -1.25 -4.90 118.95 122.30 3liv s ARG 81 Ca -0.04 2.12 0.22 0.00 -0.52 0.00 0.00 55.73 57.51 3liv s ARG 81 Cb 0.01 -3.48 0.88 0.00 0.52 0.00 0.00 34.95 32.87 3liv s ARG 81 CO 0.06 -0.59 1.68 0.25 0.02 0.00 0.00 175.30 176.72 3liv n THR 82 N 4.48 0.68 -3.82 0.02 -2.24 -1.26 -4.39 114.28 107.75 3liv n THR 82 Ca 0.14 0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.66 3liv n THR 82 Cb 0.42 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 3liv n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3liv s THR 83 N -3.10 3.86 0.35 4.28 -1.32 -1.26 -5.08 115.64 113.37 3liv s THR 83 Ca 0.08 -0.41 -0.28 0.00 -1.21 0.00 0.00 61.69 59.87 3liv s THR 83 Cb 0.12 -2.83 -0.11 0.00 -1.51 0.00 0.00 72.50 68.17 3liv s THR 83 CO 0.41 0.32 1.45 -2.16 -2.21 0.00 0.00 174.62 172.43 3liv s PRO 84 N 1.54 4.17 0.29 7.08 0.04 -1.26 -4.88 135.00 141.99 3liv s PRO 84 Ca 0.05 2.48 -0.29 0.00 0.04 0.00 0.00 61.00 63.28 3liv s PRO 84 Cb -0.15 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.29 3liv s PRO 84 CO 0.01 -0.46 1.25 0.42 0.04 0.00 0.00 177.00 178.25 3liv s ILE 85 N -0.96 3.02 -0.22 0.56 1.01 -0.37 -4.90 121.20 119.35 3liv s ILE 85 Ca 0.53 0.99 -0.01 0.00 0.00 0.00 0.00 60.65 62.16 3liv s ILE 85 Cb -0.45 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.45 3liv s ILE 85 CO 0.58 0.22 0.00 -0.69 0.00 0.00 0.00 174.94 175.06 3liv s VAL 86 N -0.94 0.99 -0.23 2.92 1.01 -1.26 -0.53 120.40 122.36 3liv s VAL 86 Ca 0.49 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3liv s VAL 86 Cb -0.37 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 3liv s VAL 86 CO 0.47 -0.19 0.19 -0.76 0.00 0.00 0.00 175.10 174.81 3liv s LEU 87 N 1.64 4.14 0.48 3.92 1.43 -0.26 -4.95 118.68 125.09 3liv s LEU 87 Ca -0.03 0.19 0.14 0.00 -1.03 0.00 0.00 54.13 53.40 3liv s LEU 87 Cb -0.18 -2.16 1.13 0.00 0.03 0.00 0.00 46.19 45.01 3liv s LEU 87 CO -0.08 0.07 2.10 0.74 0.23 0.00 0.00 176.35 179.41 3liv h THR 88 N 4.95 1.05 -1.83 5.49 2.02 -1.94 -1.68 112.91 120.97 3liv h THR 88 Ca -0.38 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3liv h THR 88 Cb 1.17 0.94 -0.22 0.00 -1.74 0.00 0.00 68.15 68.30 3liv h THR 88 CO 0.68 0.05 0.30 -0.55 0.37 0.00 0.00 175.52 176.38 3liv s SER 89 N -6.97 -0.58 0.33 4.18 0.15 -1.26 -3.46 113.70 106.09 3liv s SER 89 Ca -0.06 0.86 -0.17 0.00 0.70 0.00 0.00 55.95 57.28 3liv s SER 89 Cb 0.17 0.79 0.03 0.00 -1.71 0.00 0.00 66.02 65.30 3liv s SER 89 CO 0.69 -0.37 0.73 0.00 1.20 0.00 0.00 173.24 175.49 3liv s LEU 91 N -3.00 4.09 -0.15 0.00 1.43 -0.24 -1.63 118.68 119.18 3liv s LEU 91 Ca 0.14 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 3liv s LEU 91 Cb -0.05 -3.71 0.03 0.00 0.03 0.00 0.00 46.19 42.48 3liv s LEU 91 CO 0.10 -0.15 -0.12 -0.69 0.23 0.00 0.00 176.35 175.71 3liv s VAL 92 N -1.96 1.43 -0.44 -1.59 1.01 0.27 -1.16 120.40 117.95 3liv s VAL 92 Ca 0.47 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.65 3liv s VAL 92 Cb -0.11 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.91 3liv s VAL 92 CO 0.24 0.40 0.74 -0.62 0.00 0.00 0.00 175.10 175.86 3liv s ASP 93 N 1.54 6.39 0.10 3.32 2.15 -0.28 -0.04 116.67 129.84 3liv s ASP 93 Ca 0.04 -0.17 0.24 0.00 0.43 0.00 0.00 52.55 53.09 3liv s ASP 93 Cb -0.13 -2.36 0.29 0.00 -0.30 0.00 0.00 42.92 40.42 3liv s ASP 93 CO -0.10 -0.86 1.27 0.35 -0.17 0.00 0.00 175.17 175.66 3liv n THR 94 N 6.03 0.32 0.00 1.71 -2.24 0.66 -2.04 114.28 118.73 3liv n THR 94 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3liv n THR 94 Cb 0.48 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3liv n THR 94 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3liv n LYS 95 N -2.08 0.00 -1.86 -0.78 0.00 -1.24 -4.96 118.16 107.25 3liv n LYS 95 Ca 0.03 0.19 -0.15 0.00 0.00 0.00 0.00 58.31 58.38 3liv n LYS 95 Cb 0.44 -0.62 0.08 0.00 0.00 0.00 0.00 35.03 34.92 3liv n LYS 95 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3liv n ASN 96 N -1.84 0.86 -3.37 3.14 3.02 -1.26 -5.03 115.26 110.78 3liv n ASN 96 Ca 0.00 -1.72 -0.26 0.00 -0.03 0.00 0.00 54.58 52.56 3liv n ASN 96 Cb 0.00 -0.41 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 3liv n ASN 96 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3liv n ASN 97 N -2.94 3.15 -4.85 6.41 4.13 -1.26 -4.74 115.26 115.16 3liv n ASN 97 Ca 0.10 -3.32 -0.32 0.00 1.68 0.00 0.00 54.58 52.73 3liv n ASN 97 Cb 0.38 -0.66 -0.02 0.00 -1.54 0.00 0.00 39.78 37.93 3liv n ASN 97 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3liv s TRP 98 N -2.27 3.46 -0.13 3.10 0.51 -1.26 -4.70 118.94 117.65 3liv s TRP 98 Ca 0.39 1.43 -0.04 0.00 -2.12 0.00 0.00 56.10 55.77 3liv s TRP 98 Cb 0.16 -2.79 0.05 0.00 -0.81 0.00 0.00 33.47 30.08 3liv s TRP 98 CO -0.03 -0.49 0.07 0.00 -0.51 0.00 0.00 176.95 175.99 3liv s ALA 99 N -2.75 0.45 -0.17 0.98 0.00 -1.26 -2.35 121.76 116.68 3liv s ALA 99 Ca 0.58 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.32 3liv s ALA 99 Cb -0.11 -0.90 0.06 0.00 0.00 0.00 0.00 23.12 22.17 3liv s ALA 99 CO 0.37 -0.91 0.06 0.42 0.00 0.00 0.00 175.76 175.70 3liv s ILE 100 N 2.10 0.22 -0.08 0.00 1.01 0.09 -0.53 121.20 124.01 3liv s ILE 100 Ca 0.03 -0.29 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 3liv s ILE 100 Cb -0.15 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 3liv s ILE 100 CO -0.07 -0.19 1.23 -0.63 0.00 0.00 0.00 174.94 175.28 3liv s ILE 101 N 2.00 4.23 0.16 2.92 -1.09 0.17 -1.48 121.20 128.12 3liv s ILE 101 Ca 0.01 1.54 0.01 0.00 -2.23 0.00 0.00 60.65 59.99 3liv s ILE 101 Cb -0.16 -3.99 0.01 0.00 -1.58 0.00 0.00 42.46 36.74 3liv s ILE 101 CO -0.08 -0.04 0.11 0.61 -1.23 0.00 0.00 174.94 174.31 3liv n GLY 102 N 3.45 3.09 0.28 6.18 0.00 -1.26 -0.90 105.19 116.02 3liv n GLY 102 Ca 0.12 -2.21 0.17 0.00 0.00 0.00 0.00 46.02 44.09 3liv n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3liv h ARG 103 N 0.00 0.00 0.00 1.61 3.08 -1.42 -0.81 114.38 116.84 3liv h ARG 103 Ca -0.11 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.96 3liv h ARG 103 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3liv h ARG 103 CO 0.17 0.03 -0.08 0.38 -1.07 0.00 0.00 179.97 179.40 3liv h ASP 104 N 0.00 -0.21 -0.27 7.04 2.03 -1.81 0.15 116.42 123.35 3liv h ASP 104 Ca -0.00 0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 56.24 3liv h ASP 104 Cb 0.49 0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.08 3liv h ASP 104 CO 0.00 -0.11 -0.21 0.00 -1.03 0.00 0.00 179.24 177.89 3liv h ALA 105 N 0.85 0.39 -0.62 4.15 0.00 -1.75 -3.14 119.26 119.15 3liv h ALA 105 Ca 0.03 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3liv h ALA 105 Cb 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3liv h ALA 105 CO -0.08 0.33 0.13 -0.07 0.00 0.00 0.00 179.25 179.57 3liv h LEU 106 N 0.34 0.93 -0.44 0.00 3.38 -1.05 -2.49 115.31 115.98 3liv h LEU 106 Ca 0.05 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3liv h LEU 106 Cb 0.75 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3liv h LEU 106 CO 0.05 0.92 0.11 -0.61 0.09 0.00 0.00 178.44 179.00 3liv h GLN 107 N 0.94 0.24 0.00 1.13 4.15 -0.74 0.11 115.11 120.94 3liv h GLN 107 Ca 0.20 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3liv h GLN 107 Cb 0.36 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.00 3liv h GLN 107 CO 0.00 0.16 0.00 1.96 -1.93 0.00 0.00 178.83 179.02 3liv h GLN 108 N 0.25 0.00 -0.32 1.69 4.20 -1.40 -1.16 115.11 118.37 3liv h GLN 108 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3liv h GLN 108 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3liv h GLN 108 CO -0.26 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.90 3liv n GLN 110 N -0.08 -4.66 -2.66 0.00 6.02 -0.44 -4.98 117.38 110.59 3liv n GLN 110 Ca 0.19 0.62 -0.37 0.00 -0.01 0.00 0.00 57.00 57.44 3liv n GLN 110 Cb 0.79 -5.15 -0.05 0.00 1.02 0.00 0.00 30.24 26.85 3liv n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3liv s GLY 111 N -4.30 2.75 0.06 1.08 0.00 0.33 -5.02 107.32 102.22 3liv s GLY 111 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 44.72 45.41 3liv s GLY 111 CO 0.81 1.04 -0.11 -1.34 0.00 0.00 0.00 173.10 173.50 3liv s VAL 112 N -1.66 0.85 -0.13 1.40 -7.23 -1.26 -4.73 120.40 107.64 3liv s VAL 112 Ca 0.54 -1.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.29 3liv s VAL 112 Cb -0.20 -0.86 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 3liv s VAL 112 CO 0.25 -0.29 0.66 -0.76 -0.31 0.00 0.00 175.10 174.65 3liv s LEU 113 N -1.66 4.24 -0.19 1.32 1.43 -1.26 -5.08 118.68 117.48 3liv s LEU 113 Ca -0.06 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.05 3liv s LEU 113 Cb -0.10 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.14 3liv s LEU 113 CO 0.01 -0.18 -0.13 -0.47 0.23 0.00 0.00 176.35 175.81 3liv s TYR 114 N 1.29 2.84 -0.29 0.29 5.04 -1.26 -5.09 117.35 120.18 3liv s TYR 114 Ca 0.33 -1.20 0.01 0.00 -2.44 0.00 0.00 57.07 53.77 3liv s TYR 114 Cb -0.17 -1.98 0.06 0.00 0.35 0.00 0.00 41.96 40.23 3liv s TYR 114 CO 0.14 -0.61 -0.05 -0.51 -1.34 0.00 0.00 175.55 173.19 3liv s LEU 115 N 1.20 3.76 0.00 6.97 1.02 -1.26 -5.17 118.68 125.19 3liv s LEU 115 Ca 0.02 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 52.78 3liv s LEU 115 Cb -0.14 -1.63 0.00 0.00 0.02 0.00 0.00 46.19 44.44 3liv s LEU 115 CO -0.05 -0.24 0.24 -2.65 0.02 0.00 0.00 176.35 173.67