#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 5.00 -0.40 0.52 1.01 -1.26 -5.05 120.40 120.22 3liv s VAL 2 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 3liv s VAL 2 Cb 0.00 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.51 3liv s VAL 2 CO 0.00 -0.13 0.23 -0.63 0.00 0.00 0.00 175.10 174.57 3liv s ILE 3 N 2.44 4.14 0.84 2.22 1.01 -1.26 -5.08 121.20 125.50 3liv s ILE 3 Ca 0.21 -1.37 -0.11 0.00 0.00 0.00 0.00 60.65 59.38 3liv s ILE 3 Cb -0.15 -3.51 0.10 0.00 0.01 0.00 0.00 42.46 38.91 3liv s ILE 3 CO 0.12 -0.46 1.14 -2.84 0.00 0.00 0.00 174.94 172.90 3liv s PRO 4 N 1.41 1.59 -0.09 2.79 0.02 -1.26 -5.02 135.00 134.45 3liv s PRO 4 Ca 0.03 1.47 0.03 0.00 0.02 0.00 0.00 61.00 62.55 3liv s PRO 4 Cb -0.22 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3liv s PRO 4 CO 0.02 -2.19 -0.20 -0.51 -0.33 0.00 0.00 177.00 173.79 3liv s LEU 5 N -6.13 2.34 -0.25 -5.54 1.43 -1.26 -4.94 118.68 104.34 3liv s LEU 5 Ca 0.66 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.23 3liv s LEU 5 Cb -0.22 -1.47 0.09 0.00 0.03 0.00 0.00 46.19 44.62 3liv s LEU 5 CO 0.55 0.21 0.56 -0.62 0.23 0.00 0.00 176.35 177.29 3liv s ASP 6 N 0.03 -0.77 0.58 2.29 -1.08 -1.26 -5.05 116.67 111.41 3liv s ASP 6 Ca -0.08 1.30 0.36 0.00 -0.52 0.00 0.00 52.55 53.61 3liv s ASP 6 Cb -0.15 1.55 1.71 0.00 -1.46 0.00 0.00 42.92 44.57 3liv s ASP 6 CO 0.05 -0.22 2.12 1.55 0.52 0.00 0.00 175.17 179.19 3liv h PRO 7 N 7.60 0.00 0.00 4.34 0.13 -2.02 -2.92 132.00 139.13 3liv h PRO 7 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3liv h PRO 7 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3liv h PRO 7 CO 0.16 0.03 -0.80 0.00 -0.23 0.00 0.00 178.00 177.15 3liv n ALA 8 N -2.12 3.10 -4.05 -0.56 0.00 -1.26 -4.70 120.51 110.93 3liv n ALA 8 Ca -0.01 -0.31 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 3liv n ALA 8 Cb 0.22 -1.09 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 3liv n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3liv s ARG 9 N -3.18 2.08 0.26 0.00 0.52 -1.10 -5.10 118.95 112.43 3liv s ARG 9 Ca 0.05 -1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 53.49 3liv s ARG 9 Cb 0.14 -2.97 -0.12 0.00 0.52 0.00 0.00 34.95 32.52 3liv s ARG 9 CO 0.75 -0.65 1.54 0.54 0.02 0.00 0.00 175.30 177.51 3liv n ARG 10 N 4.40 2.47 -2.54 3.54 1.74 -1.26 -4.45 116.66 120.55 3liv n ARG 10 Ca -0.10 0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 57.43 3liv n ARG 10 Cb 0.42 -2.63 -0.02 0.00 -1.02 0.00 0.00 32.46 29.21 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 -0.29 3.62 0.32 5.56 0.04 -1.26 -5.00 135.00 137.99 3liv s PRO 11 Ca 0.67 0.54 0.10 0.00 0.04 0.00 0.00 61.00 62.34 3liv s PRO 11 Cb -0.55 -3.97 -0.06 0.00 0.04 0.00 0.00 34.50 29.96 3liv s PRO 11 CO 0.47 -1.52 -0.12 0.14 0.04 0.00 0.00 177.00 176.01 3liv s VAL 12 N 4.84 2.23 -0.00 -0.36 -7.23 -1.26 -0.05 120.40 118.56 3liv s VAL 12 Ca 0.49 -2.25 -0.10 0.00 -1.81 0.00 0.00 61.98 58.31 3liv s VAL 12 Cb -0.08 -2.53 0.01 0.00 0.56 0.00 0.00 36.38 34.34 3liv s VAL 12 CO 0.30 -0.27 0.21 -0.51 -0.31 0.00 0.00 175.10 174.52 3liv s ILE 13 N -2.63 0.07 -0.14 -0.62 2.07 -0.32 -4.93 121.20 114.69 3liv s ILE 13 Ca 0.31 -0.61 -0.19 0.00 -1.41 0.00 0.00 60.65 58.75 3liv s ILE 13 Cb 0.01 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 3liv s ILE 13 CO 0.15 -0.33 0.55 -0.54 -1.91 0.00 0.00 174.94 172.86 3liv s LYS 14 N -1.38 4.30 -0.01 3.50 -0.14 -1.26 -0.25 119.74 124.50 3liv s LYS 14 Ca -0.14 0.53 0.05 0.00 -1.36 0.00 0.00 55.97 55.05 3liv s LYS 14 Cb -0.07 -3.49 -0.01 0.00 -1.68 0.00 0.00 37.83 32.58 3liv s LYS 14 CO 0.03 0.00 -0.15 0.00 -0.76 0.00 0.00 175.35 174.47 3liv s ALA 15 N 1.12 1.21 -0.38 5.17 0.00 0.11 -4.15 121.76 124.84 3liv s ALA 15 Ca 0.28 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.44 3liv s ALA 15 Cb -0.16 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.66 3liv s ALA 15 CO 0.11 0.29 0.42 -1.14 0.00 0.00 0.00 175.76 175.45 3liv s GLN 16 N -0.38 3.37 -0.24 0.00 0.74 -0.37 -0.16 119.66 122.62 3liv s GLN 16 Ca 0.05 -0.52 -0.07 0.00 0.05 0.00 0.00 55.36 54.88 3liv s GLN 16 Cb -0.06 -3.87 -0.03 0.00 1.10 0.00 0.00 33.01 30.15 3liv s GLN 16 CO -0.00 -0.68 0.05 0.08 -0.55 0.00 0.00 175.29 174.18 3liv s VAL 17 N 2.13 4.18 -0.48 1.34 1.01 0.10 -0.99 120.40 127.69 3liv s VAL 17 Ca 0.13 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.78 3liv s VAL 17 Cb -0.17 -2.95 0.12 0.00 0.00 0.00 0.00 36.38 33.38 3liv s VAL 17 CO 0.13 0.35 0.38 -0.62 0.00 0.00 0.00 175.10 175.34 3liv s ASP 18 N 1.59 5.83 0.30 3.32 2.15 0.24 -2.20 116.67 127.90 3liv s ASP 18 Ca 0.06 -1.84 0.25 0.00 0.43 0.00 0.00 52.55 51.46 3liv s ASP 18 Cb -0.15 -2.06 1.03 0.00 -0.30 0.00 0.00 42.92 41.44 3liv s ASP 18 CO 0.03 -0.72 1.76 0.71 -0.17 0.00 0.00 175.17 176.77 3liv h THR 19 N 6.06 0.00 -1.13 1.71 1.35 -1.81 0.10 112.91 119.19 3liv h THR 19 Ca -0.24 -0.29 -0.34 0.00 -0.55 0.00 0.00 66.41 64.99 3liv h THR 19 Cb 1.08 1.08 -0.11 0.00 -1.73 0.00 0.00 68.15 68.47 3liv h THR 19 CO 0.90 0.00 -0.34 0.00 -0.25 0.00 0.00 175.52 175.83 3liv n GLN 20 N -2.38 -1.20 0.00 4.72 6.02 -1.26 -4.76 117.38 118.52 3liv n GLN 20 Ca 0.02 1.03 0.00 0.00 -0.01 0.00 0.00 57.00 58.04 3liv n GLN 20 Cb 0.25 -5.28 0.00 0.00 1.02 0.00 0.00 30.24 26.23 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 -2.83 0.00 -3.84 5.09 -2.24 -1.26 -5.09 114.28 104.11 3liv n THR 21 Ca -0.17 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3liv n THR 21 Cb 0.57 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.84 3liv n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3liv s SER 22 N -0.68 -0.03 0.15 3.42 1.04 -1.26 -4.07 113.70 112.27 3liv s SER 22 Ca 0.00 -0.37 -0.33 0.00 0.48 0.00 0.00 55.95 55.72 3liv s SER 22 Cb 0.00 0.31 -0.17 0.00 0.10 0.00 0.00 66.02 66.27 3liv s SER 22 CO 0.00 -0.61 1.04 1.41 0.98 0.00 0.00 173.24 176.06 3liv n HIS 23 N -0.69 0.89 -1.65 5.02 -0.00 -1.26 -4.60 115.22 112.94 3liv n HIS 23 Ca -0.03 0.80 -0.38 0.00 -0.00 0.00 0.00 57.72 58.11 3liv n HIS 23 Cb 0.60 -2.19 0.05 0.00 -0.00 0.00 0.00 29.99 28.45 3liv n HIS 23 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3liv n PRO 24 N 1.56 1.03 -4.09 -0.41 -0.02 -1.26 -4.89 135.00 126.91 3liv n PRO 24 Ca 0.16 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.90 3liv n PRO 24 Cb 0.22 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 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 -2.83 0.41 -0.07 -0.52 1.02 -0.94 -4.94 119.74 111.87 3liv s LYS 25 Ca 0.76 -0.36 -0.25 0.00 0.02 0.00 0.00 55.97 56.14 3liv s LYS 25 Cb -0.42 -0.31 -0.03 0.00 -0.52 0.00 0.00 37.83 36.55 3liv s LYS 25 CO 0.47 0.07 0.76 0.99 -0.92 0.00 0.00 175.35 176.72 3liv s THR 26 N -0.56 5.00 0.14 2.17 2.01 -1.26 0.01 115.64 123.14 3liv s THR 26 Ca -0.03 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.57 3liv s THR 26 Cb -0.05 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 3liv s THR 26 CO -0.00 0.20 -0.08 0.27 -0.69 0.00 0.00 174.62 174.33 3liv s ILE 27 N 1.03 0.97 -0.09 1.82 -4.36 0.77 -4.93 121.20 116.40 3liv s ILE 27 Ca 0.40 -2.01 -0.24 0.00 -0.26 0.00 0.00 60.65 58.54 3liv s ILE 27 Cb -0.18 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.66 3liv s ILE 27 CO 0.19 -0.75 0.73 -0.70 0.24 0.00 0.00 174.94 174.65 3liv s GLU 28 N -3.79 4.40 0.02 0.37 2.12 -1.26 0.08 118.70 120.63 3liv s GLU 28 Ca 0.16 0.90 0.04 0.00 0.36 0.00 0.00 54.97 56.43 3liv s GLU 28 Cb 0.04 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 3liv s GLU 28 CO -0.01 -0.04 -0.12 0.00 -0.54 0.00 0.00 175.26 174.56 3liv s ALA 29 N 1.16 0.95 0.17 6.30 0.00 0.66 -4.65 121.76 126.35 3liv s ALA 29 Ca 0.37 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3liv s ALA 29 Cb -0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 3liv s ALA 29 CO 0.17 0.18 1.06 -1.17 0.00 0.00 0.00 175.76 175.99 3liv s LEU 30 N -0.88 4.50 -0.34 0.00 2.96 0.48 -1.18 118.68 124.22 3liv s LEU 30 Ca 0.01 2.01 -0.20 0.00 -0.22 0.00 0.00 54.13 55.72 3liv s LEU 30 Cb -0.07 -3.60 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 3liv s LEU 30 CO 0.01 -0.16 0.61 -0.76 -1.32 0.00 0.00 176.35 174.73 3liv s LEU 31 N -0.33 4.25 -0.36 -0.68 1.43 0.93 0.03 118.68 123.94 3liv s LEU 31 Ca 0.48 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3liv s LEU 31 Cb -0.28 -2.76 0.12 0.00 0.03 0.00 0.00 46.19 43.31 3liv s LEU 31 CO 0.33 -0.55 0.17 -0.62 0.23 0.00 0.00 176.35 175.92 3liv s ASP 32 N 1.76 3.60 0.17 2.29 2.15 -0.26 -4.79 116.67 121.58 3liv s ASP 32 Ca 0.24 -2.05 0.15 0.00 0.43 0.00 0.00 52.55 51.32 3liv s ASP 32 Cb -0.15 -0.75 0.73 0.00 -0.30 0.00 0.00 42.92 42.45 3liv s ASP 32 CO 0.14 -0.34 1.47 0.35 -0.17 0.00 0.00 175.17 176.61 3liv n THR 33 N 4.27 1.23 1.07 1.71 -2.24 -1.26 -1.86 114.28 117.21 3liv n THR 33 Ca 0.04 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.41 3liv n THR 33 Cb 0.38 -1.41 0.22 0.00 -2.10 0.00 0.00 70.33 67.42 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 -0.82 -0.95 3.59 3.38 0.00 -1.26 -4.82 105.19 104.31 3liv n GLY 34 Ca 0.01 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.82 3.54 0.37 4.61 0.00 -0.77 -4.96 121.76 121.73 3liv s ALA 35 Ca 0.15 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.20 3liv s ALA 35 Cb 0.18 -2.64 0.72 0.00 0.00 0.00 0.00 23.12 21.38 3liv s ALA 35 CO 0.67 -0.66 2.00 -0.44 0.00 0.00 0.00 175.76 177.32 3liv h ASP 36 N 8.28 0.56 -3.75 0.00 3.32 -1.87 -0.03 116.42 122.93 3liv h ASP 36 Ca -0.33 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 56.48 3liv h ASP 36 Cb 1.17 -0.14 -0.27 0.00 0.22 0.00 0.00 39.33 40.30 3liv h ASP 36 CO 0.61 0.46 -0.60 -0.32 -1.72 0.00 0.00 179.24 177.67 3liv s MET 37 N -5.44 0.12 0.48 3.56 1.75 -1.26 -3.33 119.30 115.17 3liv s MET 37 Ca -0.09 0.16 -0.24 0.00 -1.25 0.00 0.00 55.69 54.27 3liv s MET 37 Cb 0.17 0.04 -0.07 0.00 2.84 0.00 0.00 34.83 37.81 3liv s MET 37 CO 0.75 -0.02 1.33 0.99 -0.65 0.00 0.00 175.02 177.42 3liv s THR 38 N 0.13 2.36 -0.15 10.11 2.01 -1.26 -4.48 115.64 124.36 3liv s THR 38 Ca -0.01 0.29 -0.00 0.00 0.31 0.00 0.00 61.69 62.28 3liv s THR 38 Cb -0.01 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.33 3liv s THR 38 CO -0.00 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.13 3liv s VAL 39 N -1.31 2.92 -0.05 3.82 1.01 0.40 -1.24 120.40 125.95 3liv s VAL 39 Ca 0.64 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.00 3liv s VAL 39 Cb -0.39 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 3liv s VAL 39 CO 0.48 0.51 -0.25 -0.63 0.00 0.00 0.00 175.10 175.21 3liv s ILE 40 N 0.65 2.08 0.33 2.22 -1.09 -0.41 -1.27 121.20 123.72 3liv s ILE 40 Ca -0.07 -1.07 -0.28 0.00 -2.23 0.00 0.00 60.65 57.00 3liv s ILE 40 Cb -0.15 -1.74 -0.10 0.00 -1.58 0.00 0.00 42.46 38.89 3liv s ILE 40 CO 0.02 0.57 1.24 -2.84 -1.23 0.00 0.00 174.94 172.71 3liv s PRO 41 N -0.29 4.36 0.59 2.79 0.02 -1.16 -1.06 135.00 140.23 3liv s PRO 41 Ca 0.00 2.07 0.28 0.00 0.02 0.00 0.00 61.00 63.38 3liv s PRO 41 Cb -0.13 -3.03 1.57 0.00 0.02 0.00 0.00 34.50 32.94 3liv s PRO 41 CO 0.02 -0.13 2.02 0.97 -0.33 0.00 0.00 177.00 179.55 3liv h ILE 42 N 2.92 0.45 -0.26 2.83 2.10 -1.42 -2.07 117.51 122.06 3liv h ILE 42 Ca -0.48 0.00 0.07 0.00 1.08 0.00 0.00 64.86 65.53 3liv h ILE 42 Cb 1.23 0.75 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 3liv h ILE 42 CO 0.65 0.00 0.33 0.00 -1.08 0.00 0.00 178.15 178.06 3liv h ALA 43 N 1.65 1.86 -0.21 0.18 0.00 -1.91 -1.67 119.26 119.16 3liv h ALA 43 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3liv h ALA 43 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3liv h ALA 43 CO -0.00 -0.47 0.00 1.28 0.00 0.00 0.00 179.25 180.06 3liv n LEU 44 N -3.59 1.29 -4.42 0.00 4.77 -0.78 -4.84 117.00 109.43 3liv n LEU 44 Ca 0.04 -0.65 -0.26 0.00 -0.03 0.00 0.00 56.01 55.11 3liv n LEU 44 Cb 0.47 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.25 3liv n LEU 44 CO 0.25 0.30 -0.52 -0.36 -1.33 0.00 0.00 177.39 175.72 3liv s PHE 45 N -1.69 2.26 0.49 -1.77 0.40 -0.63 -4.60 117.98 112.45 3liv s PHE 45 Ca 0.15 -0.36 -0.21 0.00 -0.60 0.00 0.00 56.93 55.90 3liv s PHE 45 Cb 0.08 -1.11 -0.07 0.00 0.51 0.00 0.00 43.02 42.43 3liv s PHE 45 CO 0.09 0.51 1.10 -1.54 0.70 0.00 0.00 175.22 176.08 3liv s SER 46 N -2.76 6.15 0.61 1.36 1.04 -1.26 -4.93 113.70 113.90 3liv s SER 46 Ca 0.21 2.10 0.33 0.00 0.48 0.00 0.00 55.95 59.07 3liv s SER 46 Cb -0.07 -2.58 1.93 0.00 0.10 0.00 0.00 66.02 65.40 3liv s SER 46 CO 0.10 -0.92 2.26 0.28 0.98 0.00 0.00 173.24 175.94 3liv h SER 47 N 1.65 0.00 0.01 7.02 0.02 -1.94 -2.91 113.55 117.41 3liv h SER 47 Ca -0.49 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 3liv h SER 47 Cb 1.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3liv h SER 47 CO 0.59 0.00 -0.14 0.78 -1.14 0.00 0.00 176.83 176.92 3liv h ASN 48 N 0.00 0.26 -3.53 3.07 4.21 -1.97 -3.48 115.58 114.14 3liv h ASN 48 Ca 0.01 -0.06 -0.52 0.00 1.21 0.00 0.00 56.30 56.94 3liv h ASN 48 Cb 0.05 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3liv h ASN 48 CO -0.00 0.43 0.45 0.42 -1.29 0.00 0.00 177.43 177.44 3liv s THR 49 N -4.70 4.06 0.10 2.81 -4.23 -1.10 -5.00 115.64 107.58 3liv s THR 49 Ca -0.06 1.73 -0.31 0.00 -1.18 0.00 0.00 61.69 61.87 3liv s THR 49 Cb 0.15 -4.10 -0.09 0.00 1.34 0.00 0.00 72.50 69.79 3liv s THR 49 CO 0.74 0.27 1.77 -2.84 -0.54 0.00 0.00 174.62 174.03 3liv s PRO 50 N -0.14 4.16 0.09 3.99 0.02 -1.26 -5.03 135.00 136.83 3liv s PRO 50 Ca 0.49 2.50 0.08 0.00 0.02 0.00 0.00 61.00 64.09 3liv s PRO 50 Cb -0.28 -3.63 -0.03 0.00 0.02 0.00 0.00 34.50 30.58 3liv s PRO 50 CO 0.33 -0.81 -0.20 -0.51 -0.33 0.00 0.00 177.00 175.48 3liv s LEU 51 N 2.81 2.28 -0.12 -5.54 1.43 -1.26 -3.94 118.68 114.34 3liv s LEU 51 Ca 0.79 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 53.11 3liv s LEU 51 Cb -0.44 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3liv s LEU 51 CO 0.35 0.06 0.26 -0.54 0.23 0.00 0.00 176.35 176.71 3liv s LYS 52 N -1.82 3.97 0.38 1.70 1.02 0.10 -4.88 119.74 120.22 3liv s LYS 52 Ca 0.06 0.07 -0.27 0.00 0.02 0.00 0.00 55.97 55.84 3liv s LYS 52 Cb -0.10 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.78 3liv s LYS 52 CO 0.04 0.48 1.40 0.09 -0.92 0.00 0.00 175.35 176.43 3liv n ASN 53 N 2.79 3.29 -3.74 2.83 3.02 -1.26 0.84 115.26 123.03 3liv n ASN 53 Ca -0.15 1.19 -0.13 0.00 -0.03 0.00 0.00 54.58 55.46 3liv n ASN 53 Cb 0.53 -1.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.05 3liv n ASN 53 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3liv s THR 54 N -1.13 0.06 -0.14 3.41 -1.32 -1.25 -4.72 115.64 110.55 3liv s THR 54 Ca 0.56 -0.46 -0.05 0.00 -1.21 0.00 0.00 61.69 60.53 3liv s THR 54 Cb -0.50 -0.66 -0.04 0.00 -1.51 0.00 0.00 72.50 69.79 3liv s THR 54 CO 0.62 -0.25 0.03 -0.55 -2.21 0.00 0.00 174.62 172.26 3liv s SER 55 N -1.37 5.45 -0.09 8.08 0.15 -1.26 -4.43 113.70 120.24 3liv s SER 55 Ca -0.13 0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.65 3liv s SER 55 Cb -0.05 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.50 3liv s SER 55 CO 0.04 0.27 -0.13 -0.69 1.20 0.00 0.00 173.24 173.93 3liv s VAL 56 N -0.22 1.29 -0.24 4.45 1.01 -0.57 -4.98 120.40 121.14 3liv s VAL 56 Ca 0.07 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3liv s VAL 56 Cb -0.12 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3liv s VAL 56 CO 0.02 0.39 0.26 -0.22 0.00 0.00 0.00 175.10 175.55 3liv s LEU 57 N 0.87 4.10 0.26 3.92 0.20 -1.26 -1.19 118.68 125.58 3liv s LEU 57 Ca -0.10 0.23 -0.08 0.00 0.69 0.00 0.00 54.13 54.87 3liv s LEU 57 Cb -0.15 -2.26 -0.01 0.00 -0.43 0.00 0.00 46.19 43.33 3liv s LEU 57 CO 0.01 -0.03 0.40 -0.83 -0.29 0.00 0.00 176.35 175.61 3liv s GLY 58 N 1.24 0.94 0.28 7.98 0.00 -0.94 -5.02 107.32 111.80 3liv s GLY 58 Ca 0.12 -1.20 0.14 0.00 0.00 0.00 0.00 44.72 43.78 3liv s GLY 58 CO 0.07 -0.88 1.24 0.00 0.00 0.00 0.00 173.10 173.53 3liv n ALA 59 N -0.40 0.74 1.87 3.20 0.00 -1.26 0.27 120.51 124.94 3liv n ALA 59 Ca -0.00 0.81 0.01 0.00 0.00 0.00 0.00 53.44 54.25 3liv n ALA 59 Cb 0.63 -0.77 0.05 0.00 0.00 0.00 0.00 19.45 19.36 3liv n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3liv n GLY 60 N -1.24 -0.94 0.00 0.00 0.00 -1.26 -5.02 105.19 96.74 3liv n GLY 60 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.46 -1.84 3.85 -0.02 0.00 0.14 -5.02 105.19 102.76 3liv n GLY 61 Ca 0.01 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 3.83 -0.06 1.61 2.00 -1.26 -2.21 119.66 123.57 3liv s GLN 62 Ca 0.00 0.31 -0.01 0.00 -2.00 0.00 0.00 55.36 53.66 3liv s GLN 62 Cb 0.00 -3.19 0.03 0.00 0.80 0.00 0.00 33.01 30.64 3liv s GLN 62 CO 0.00 0.69 0.01 -0.08 -0.50 0.00 0.00 175.29 175.41 3liv s THR 63 N -1.11 0.31 0.07 -0.34 -1.32 -0.33 -4.99 115.64 107.93 3liv s THR 63 Ca 0.23 0.14 0.08 0.00 -1.21 0.00 0.00 61.69 60.94 3liv s THR 63 Cb -0.16 -0.46 -0.16 0.00 -1.51 0.00 0.00 72.50 70.21 3liv s THR 63 CO 0.13 0.24 1.30 1.56 -2.21 0.00 0.00 174.62 175.63 3liv h GLN 64 N 8.15 0.00 0.00 7.08 1.08 -1.88 -1.51 115.11 128.03 3liv h GLN 64 Ca -0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3liv h GLN 64 Cb 1.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 3liv h GLN 64 CO 0.28 0.91 -0.48 -0.40 -0.95 0.00 0.00 178.83 178.19 3liv n ASP 65 N -3.32 2.08 0.08 1.46 3.85 -1.26 -4.26 116.55 115.17 3liv n ASP 65 Ca 0.00 -0.30 -0.12 0.00 -0.71 0.00 0.00 54.79 53.66 3liv n ASP 65 Cb 0.91 1.02 -0.05 0.00 -1.35 0.00 0.00 41.12 41.65 3liv n ASP 65 CO 0.00 0.00 0.00 -0.74 -1.01 0.00 0.00 177.20 175.45 3liv h HIS 66 N 0.00 0.45 -3.71 2.11 2.76 -1.87 -3.45 115.15 111.44 3liv h HIS 66 Ca 0.00 -0.26 -0.67 0.00 -2.20 0.00 0.00 60.37 57.23 3liv h HIS 66 Cb 0.03 -0.04 -0.18 0.00 1.55 0.00 0.00 27.41 28.77 3liv h HIS 66 CO 0.00 1.10 -0.77 -0.06 -1.30 0.00 0.00 177.93 176.90 3liv s PHE 67 N -3.13 2.64 0.23 5.26 0.08 -1.26 -2.12 117.98 119.69 3liv s PHE 67 Ca -0.04 -0.21 0.10 0.00 0.12 0.00 0.00 56.93 56.91 3liv s PHE 67 Cb 0.09 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 3liv s PHE 67 CO 0.85 0.37 -0.19 0.15 -0.10 0.00 0.00 175.22 176.31 3liv s LYS 68 N -1.96 1.51 -0.04 0.44 -0.14 -0.24 -3.87 119.74 115.43 3liv s LYS 68 Ca 0.18 -1.64 -0.08 0.00 -1.36 0.00 0.00 55.97 53.07 3liv s LYS 68 Cb -0.11 -1.56 -0.05 0.00 -1.68 0.00 0.00 37.83 34.44 3liv s LYS 68 CO 0.10 0.30 0.24 -1.17 -0.76 0.00 0.00 175.35 174.06 3liv s LEU 69 N -3.22 4.40 0.74 3.17 2.96 0.25 0.28 118.68 127.25 3liv s LEU 69 Ca 0.25 0.60 -0.11 0.00 -0.22 0.00 0.00 54.13 54.65 3liv s LEU 69 Cb -0.04 -2.42 0.04 0.00 0.50 0.00 0.00 46.19 44.27 3liv s LEU 69 CO 0.11 0.33 1.08 0.42 -1.32 0.00 0.00 176.35 176.97 3liv s THR 70 N -1.15 3.62 -0.22 3.68 -4.23 -0.83 0.02 115.64 116.54 3liv s THR 70 Ca 0.22 0.53 0.11 0.00 -1.18 0.00 0.00 61.69 61.37 3liv s THR 70 Cb -0.13 -3.23 -0.21 0.00 1.34 0.00 0.00 72.50 70.27 3liv s THR 70 CO 0.11 -0.69 -0.05 -1.20 -0.54 0.00 0.00 174.62 172.25 3liv n SER 71 N -3.30 0.87 -4.72 3.99 7.64 -1.25 -4.70 113.62 112.15 3liv n SER 71 Ca 0.08 -0.05 -0.30 0.00 1.01 0.00 0.00 58.87 59.60 3liv n SER 71 Cb 0.54 0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 64.11 3liv n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3liv s LEU 72 N -5.87 3.58 0.88 -3.43 1.43 -1.26 -5.05 118.68 108.96 3liv s LEU 72 Ca -0.19 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.65 3liv s LEU 72 Cb 0.07 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 44.03 3liv s LEU 72 CO 0.72 0.17 0.56 -2.65 0.23 0.00 0.00 176.35 175.38 3liv n PRO 73 N 0.54 -0.10 -5.16 1.29 -0.02 -1.25 -4.73 135.00 125.56 3liv n PRO 73 Ca -0.10 0.02 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 3liv n PRO 73 Cb 0.52 -1.94 -0.16 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.26 2.31 -0.17 -1.45 1.01 -0.18 -4.57 120.40 115.08 3liv s VAL 74 Ca 0.61 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 3liv s VAL 74 Cb -0.25 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 3liv s VAL 74 CO 0.63 0.57 0.05 -0.76 0.00 0.00 0.00 175.10 175.59 3liv s LEU 75 N -0.21 3.78 -0.13 3.92 1.02 0.35 -0.97 118.68 126.44 3liv s LEU 75 Ca -0.02 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.23 3liv s LEU 75 Cb -0.13 -1.95 0.02 0.00 0.02 0.00 0.00 46.19 44.14 3liv s LEU 75 CO 0.03 0.19 -0.17 -0.63 0.02 0.00 0.00 176.35 175.80 3liv s ILE 76 N 0.27 1.69 -0.17 -0.59 1.01 -0.15 0.80 121.20 124.07 3liv s ILE 76 Ca 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 3liv s ILE 76 Cb -0.12 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.78 3liv s ILE 76 CO 0.00 0.48 -0.04 -0.13 0.00 0.00 0.00 174.94 175.25 3liv s ARG 77 N 1.14 3.58 0.01 2.79 0.52 -0.17 -1.21 118.95 125.62 3liv s ARG 77 Ca -0.02 -0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 54.56 3liv s ARG 77 Cb -0.14 -2.92 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 3liv s ARG 77 CO -0.06 0.13 0.29 -0.51 0.02 0.00 0.00 175.30 175.18 3liv s LEU 78 N 0.64 4.37 0.62 2.53 1.43 -1.26 -1.23 118.68 125.77 3liv s LEU 78 Ca -0.03 0.62 0.27 0.00 -1.03 0.00 0.00 54.13 53.96 3liv s LEU 78 Cb -0.14 -2.70 1.34 0.00 0.03 0.00 0.00 46.19 44.71 3liv s LEU 78 CO 0.02 0.25 1.76 1.55 0.23 0.00 0.00 176.35 180.16 3liv h PRO 79 N 4.02 0.00 0.01 1.29 0.13 -2.00 -2.78 132.00 132.67 3liv h PRO 79 Ca -0.50 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.23 3liv h PRO 79 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3liv h PRO 79 CO 0.66 0.00 -2.39 1.97 -0.23 0.00 0.00 178.00 178.01 3liv n PHE 80 N -3.33 0.19 -3.12 1.56 -1.74 -1.26 -4.98 117.46 104.77 3liv n PHE 80 Ca 0.07 0.05 -0.39 0.00 -0.56 0.00 0.00 57.45 56.62 3liv n PHE 80 Cb 0.73 -1.02 -0.05 0.00 1.52 0.00 0.00 39.48 40.65 3liv n PHE 80 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3liv s ARG 81 N -2.51 4.38 0.19 3.97 1.81 -1.05 -4.98 118.95 120.76 3liv s ARG 81 Ca -0.35 0.86 0.09 0.00 -1.72 0.00 0.00 55.73 54.61 3liv s ARG 81 Cb 0.10 -3.34 0.06 0.00 -0.45 0.00 0.00 34.95 31.32 3liv s ARG 81 CO 0.58 0.35 1.44 1.79 -0.68 0.00 0.00 175.30 178.79 3liv h THR 82 N 4.09 1.59 -3.38 0.02 1.35 -1.94 -3.39 112.91 111.24 3liv h THR 82 Ca -0.45 -2.80 -0.58 0.00 -0.55 0.00 0.00 66.41 62.03 3liv h THR 82 Cb 1.20 2.51 -0.08 0.00 -1.73 0.00 0.00 68.15 70.05 3liv h THR 82 CO 0.70 0.80 -0.02 0.42 -0.25 0.00 0.00 175.52 177.17 3liv s THR 83 N -3.14 5.11 0.25 6.82 -4.23 -1.26 -5.04 115.64 114.14 3liv s THR 83 Ca -0.00 1.10 -0.30 0.00 -1.18 0.00 0.00 61.69 61.31 3liv s THR 83 Cb 0.11 -3.89 -0.10 0.00 1.34 0.00 0.00 72.50 69.96 3liv s THR 83 CO 0.79 0.23 1.40 -2.16 -0.54 0.00 0.00 174.62 174.35 3liv s PRO 84 N 1.16 4.30 0.33 3.99 0.04 -1.26 -4.86 135.00 138.70 3liv s PRO 84 Ca 0.28 2.25 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 3liv s PRO 84 Cb -0.16 -3.12 -0.11 0.00 0.04 0.00 0.00 34.50 31.16 3liv s PRO 84 CO 0.12 -0.37 1.39 0.42 0.04 0.00 0.00 177.00 178.60 3liv s ILE 85 N -0.11 2.48 -0.17 0.56 1.01 -0.35 -4.87 121.20 119.76 3liv s ILE 85 Ca 0.58 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.70 3liv s ILE 85 Cb -0.41 -3.30 0.04 0.00 0.01 0.00 0.00 42.46 38.80 3liv s ILE 85 CO 0.43 0.11 -0.09 -0.69 0.00 0.00 0.00 174.94 174.70 3liv s VAL 86 N -0.96 1.41 -0.25 2.92 1.01 -1.26 -0.97 120.40 122.30 3liv s VAL 86 Ca 0.52 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3liv s VAL 86 Cb -0.42 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 3liv s VAL 86 CO 0.55 0.24 0.01 -0.76 0.00 0.00 0.00 175.10 175.14 3liv s LEU 87 N 1.52 3.30 0.50 3.92 1.43 -0.14 -4.96 118.68 124.26 3liv s LEU 87 Ca 0.01 -0.51 0.29 0.00 -1.03 0.00 0.00 54.13 52.89 3liv s LEU 87 Cb -0.15 -1.80 1.39 0.00 0.03 0.00 0.00 46.19 45.66 3liv s LEU 87 CO -0.09 -0.09 1.86 0.74 0.23 0.00 0.00 176.35 179.01 3liv h THR 88 N 5.78 0.55 -1.57 5.49 2.02 -1.93 -0.47 112.91 122.77 3liv h THR 88 Ca -0.37 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 66.85 3liv h THR 88 Cb 1.15 0.43 -0.27 0.00 -1.74 0.00 0.00 68.15 67.72 3liv h THR 88 CO 0.60 0.02 0.46 -0.55 0.37 0.00 0.00 175.52 176.42 3liv s SER 89 N -5.52 -0.44 0.25 4.18 0.15 -1.26 -3.80 113.70 107.25 3liv s SER 89 Ca -0.06 0.84 -0.11 0.00 0.70 0.00 0.00 55.95 57.32 3liv s SER 89 Cb 0.22 0.89 -0.01 0.00 -1.71 0.00 0.00 66.02 65.42 3liv s SER 89 CO 0.78 -0.14 0.45 0.00 1.20 0.00 0.00 173.24 175.53 3liv s LEU 91 N -3.05 3.85 -0.11 0.00 1.43 -0.38 -1.96 118.68 118.47 3liv s LEU 91 Ca 0.24 1.40 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 3liv s LEU 91 Cb 0.00 -4.27 0.01 0.00 0.03 0.00 0.00 46.19 41.96 3liv s LEU 91 CO 0.10 -0.40 -0.18 -0.69 0.23 0.00 0.00 176.35 175.41 3liv s VAL 92 N -2.31 1.70 -0.55 -1.59 1.01 0.14 -1.29 120.40 117.50 3liv s VAL 92 Ca 0.56 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3liv s VAL 92 Cb -0.10 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.81 3liv s VAL 92 CO 0.24 0.48 0.95 -0.62 0.00 0.00 0.00 175.10 176.15 3liv s ASP 93 N 0.76 6.34 0.00 3.32 -1.08 -0.23 -1.08 116.67 124.70 3liv s ASP 93 Ca -0.10 -0.36 0.25 0.00 -0.52 0.00 0.00 52.55 51.82 3liv s ASP 93 Cb -0.16 -2.44 1.24 0.00 -1.46 0.00 0.00 42.92 40.11 3liv s ASP 93 CO 0.01 -1.24 1.85 0.35 0.52 0.00 0.00 175.17 176.66 3liv n THR 94 N 6.20 0.20 0.00 1.71 -2.24 -0.90 -1.06 114.28 118.19 3liv n THR 94 Ca 0.02 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3liv n THR 94 Cb 0.47 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 3liv n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3liv n LYS 95 N -1.33 0.00 0.00 -0.78 4.76 -1.26 -4.92 118.16 114.63 3liv n LYS 95 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3liv n LYS 95 Cb 0.22 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.41 3liv n LYS 95 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3liv n ASN 96 N 0.00 0.00 -2.82 4.39 2.04 -1.26 -4.75 115.26 112.85 3liv n ASN 96 Ca 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 54.58 54.13 3liv n ASN 96 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 3liv n ASN 96 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3liv n ASN 97 N 0.24 -7.75 -4.36 0.53 5.03 -1.26 -5.03 115.26 102.66 3liv n ASN 97 Ca 0.00 1.19 -0.30 0.00 0.87 0.00 0.00 54.58 56.34 3liv n ASN 97 Cb 0.00 -4.61 -0.14 0.00 -1.02 0.00 0.00 39.78 34.01 3liv n ASN 97 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3liv s TRP 98 N -1.56 2.30 -0.18 3.10 0.51 -1.26 -5.03 118.94 116.82 3liv s TRP 98 Ca 0.02 -0.40 -0.03 0.00 -2.12 0.00 0.00 56.10 53.56 3liv s TRP 98 Cb -0.00 -1.34 0.06 0.00 -0.81 0.00 0.00 33.47 31.37 3liv s TRP 98 CO 0.64 0.19 0.04 0.00 -0.51 0.00 0.00 176.95 177.31 3liv s ALA 99 N -0.88 0.90 -0.12 0.98 0.00 -1.26 -3.00 121.76 118.38 3liv s ALA 99 Ca 0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.48 3liv s ALA 99 Cb -0.10 -1.12 0.04 0.00 0.00 0.00 0.00 23.12 21.94 3liv s ALA 99 CO 0.03 -1.10 -0.02 0.42 0.00 0.00 0.00 175.76 175.09 3liv s ILE 100 N 1.91 0.65 -0.44 0.00 1.01 -0.39 -0.38 121.20 123.55 3liv s ILE 100 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 3liv s ILE 100 Cb -0.16 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.49 3liv s ILE 100 CO -0.08 0.17 0.79 -0.63 0.00 0.00 0.00 174.94 175.19 3liv s ILE 101 N 1.85 4.66 0.00 2.92 -1.09 0.10 -0.45 121.20 129.19 3liv s ILE 101 Ca 0.03 0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.95 3liv s ILE 101 Cb -0.14 -4.31 0.00 0.00 -1.58 0.00 0.00 42.46 36.44 3liv s ILE 101 CO -0.07 -0.68 0.00 0.61 -1.23 0.00 0.00 174.94 173.58 3liv n GLY 102 N 4.92 2.48 0.20 6.18 0.00 -1.26 -1.11 105.19 116.59 3liv n GLY 102 Ca 0.02 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.08 1.61 3.08 -1.13 -0.25 114.38 117.61 3liv h ARG 103 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3liv h ARG 103 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3liv h ARG 103 CO 0.00 0.31 -0.28 0.38 -1.07 0.00 0.00 179.97 179.31 3liv h ASP 104 N 0.00 -0.86 -0.17 7.04 3.04 -1.80 0.15 116.42 123.83 3liv h ASP 104 Ca -0.00 0.12 -0.02 0.00 -3.24 0.00 0.00 57.03 53.89 3liv h ASP 104 Cb 0.90 0.36 -0.01 0.00 -1.04 0.00 0.00 39.33 39.55 3liv h ASP 104 CO 0.04 -0.33 0.02 0.00 -2.04 0.00 0.00 179.24 176.92 3liv h ALA 105 N 0.46 0.22 -0.04 4.15 0.00 -1.71 -3.19 119.26 119.16 3liv h ALA 105 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3liv h ALA 105 Cb 0.51 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3liv h ALA 105 CO -0.30 -0.10 -0.22 -0.07 0.00 0.00 0.00 179.25 178.57 3liv h LEU 106 N 0.05 0.06 -0.33 0.00 3.38 -0.85 -2.00 115.31 115.62 3liv h LEU 106 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3liv h LEU 106 Cb 0.34 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3liv h LEU 106 CO 0.01 0.29 0.20 -0.61 0.09 0.00 0.00 178.44 178.42 3liv h GLN 107 N 0.06 0.45 0.00 1.13 4.15 -0.69 0.30 115.11 120.50 3liv h GLN 107 Ca 0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3liv h GLN 107 Cb 0.43 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 3liv h GLN 107 CO 0.03 0.33 -0.03 1.96 -1.93 0.00 0.00 178.83 179.19 3liv h GLN 108 N 0.43 0.00 -0.05 1.69 4.20 -1.39 -2.00 115.11 117.99 3liv h GLN 108 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3liv h GLN 108 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3liv h GLN 108 CO -0.02 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.17 3liv n GLN 110 N -0.32 -4.61 -2.11 0.00 1.13 -0.75 -4.96 117.38 105.76 3liv n GLN 110 Ca 0.18 0.52 -0.40 0.00 -1.94 0.00 0.00 57.00 55.36 3liv n GLN 110 Cb 0.21 -5.25 -0.02 0.00 0.11 0.00 0.00 30.24 25.30 3liv n GLN 110 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3liv s GLY 111 N -3.54 2.97 0.07 1.08 0.00 0.10 -5.03 107.32 102.96 3liv s GLY 111 Ca 0.54 1.23 0.01 0.00 0.00 0.00 0.00 44.72 46.50 3liv s GLY 111 CO 0.86 1.86 -0.05 -1.34 0.00 0.00 0.00 173.10 174.42 3liv s VAL 112 N -1.19 0.47 -0.14 1.40 -7.23 -1.26 -4.75 120.40 107.70 3liv s VAL 112 Ca 0.51 -1.65 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 3liv s VAL 112 Cb -0.39 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 3liv s VAL 112 CO 0.51 -0.79 0.26 -0.76 -0.31 0.00 0.00 175.10 174.01 3liv s LEU 113 N -2.59 4.29 -0.16 1.32 1.43 -1.26 -5.10 118.68 116.60 3liv s LEU 113 Ca 0.04 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 3liv s LEU 113 Cb 0.02 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 3liv s LEU 113 CO -0.05 0.18 -0.08 -0.47 0.23 0.00 0.00 176.35 176.16 3liv s TYR 114 N 0.05 2.91 -0.26 0.29 5.04 -1.26 -5.08 117.35 119.04 3liv s TYR 114 Ca 0.16 -0.62 0.03 0.00 -2.44 0.00 0.00 57.07 54.20 3liv s TYR 114 Cb -0.13 -1.95 0.06 0.00 0.35 0.00 0.00 41.96 40.30 3liv s TYR 114 CO 0.04 -0.25 -0.08 -0.51 -1.34 0.00 0.00 175.55 173.41 3liv s LEU 115 N 0.64 3.35 0.00 6.97 1.43 -1.26 -5.15 118.68 124.66 3liv s LEU 115 Ca -0.05 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 3liv s LEU 115 Cb -0.15 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3liv s LEU 115 CO 0.03 -0.22 0.16 -2.65 0.23 0.00 0.00 176.35 173.89