#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3liy s VAL 2 N 0.00 4.42 -0.32 -1.45 1.01 -1.26 -5.05 120.40 117.75 3liy s VAL 2 Ca 0.00 1.85 0.03 0.00 0.00 0.00 0.00 61.98 63.86 3liy s VAL 2 Cb 0.00 -4.19 0.08 0.00 0.00 0.00 0.00 36.38 32.28 3liy s VAL 2 CO 0.00 0.21 0.01 -0.63 0.00 0.00 0.00 175.10 174.69 3liy s ILE 3 N 0.54 2.39 0.51 2.22 1.01 -1.26 -5.10 121.20 121.52 3liy s ILE 3 Ca 0.52 -2.00 -0.22 0.00 0.00 0.00 0.00 60.65 58.94 3liy s ILE 3 Cb -0.25 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.55 3liy s ILE 3 CO 0.30 -0.38 1.22 -2.84 0.00 0.00 0.00 174.94 173.24 3liy s PRO 4 N 1.02 3.46 -0.16 2.79 0.02 -1.26 -5.01 135.00 135.85 3liy s PRO 4 Ca 0.03 1.90 -0.04 0.00 0.02 0.00 0.00 61.00 62.91 3liy s PRO 4 Cb -0.20 -2.28 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 3liy s PRO 4 CO -0.06 -0.83 -0.03 -0.51 -0.33 0.00 0.00 177.00 175.23 3liy s LEU 5 N -3.35 3.27 -0.13 -5.54 1.43 -1.26 -4.92 118.68 108.18 3liy s LEU 5 Ca 0.68 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 53.61 3liy s LEU 5 Cb -0.32 -1.79 0.06 0.00 0.03 0.00 0.00 46.19 44.18 3liy s LEU 5 CO 0.38 0.17 0.28 -0.62 0.23 0.00 0.00 176.35 176.78 3liy s ASP 6 N 0.37 0.20 0.51 2.29 -1.08 -1.26 -5.04 116.67 112.67 3liy s ASP 6 Ca -0.04 0.64 0.22 0.00 -0.52 0.00 0.00 52.55 52.84 3liy s ASP 6 Cb -0.14 0.74 1.31 0.00 -1.46 0.00 0.00 42.92 43.37 3liy s ASP 6 CO 0.03 -0.23 2.02 1.55 0.52 0.00 0.00 175.17 179.06 3liy h PRO 7 N 8.13 0.07 0.00 4.34 0.13 -2.03 -2.21 132.00 140.42 3liy h PRO 7 Ca -0.18 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3liy h PRO 7 Cb 1.12 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3liy h PRO 7 CO 0.16 0.04 -0.06 0.00 -0.23 0.00 0.00 178.00 177.92 3liy n ALA 8 N -2.60 2.36 -3.90 -0.56 0.00 -1.26 -4.71 120.51 109.84 3liy n ALA 8 Ca 0.07 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.16 3liy n ALA 8 Cb 0.47 -1.44 -0.16 0.00 0.00 0.00 0.00 19.45 18.32 3liy n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3liy s ARG 9 N -3.09 1.50 0.24 0.00 0.52 -0.83 -5.11 118.95 112.18 3liy s ARG 9 Ca 0.11 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3liy s ARG 9 Cb 0.14 -2.21 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 3liy s ARG 9 CO 0.60 -0.49 1.27 1.03 0.02 0.00 0.00 175.30 177.73 3liy s ARG 10 N 1.56 4.43 -0.63 3.54 0.52 -1.26 -4.35 118.95 122.76 3liy s ARG 10 Ca -0.01 2.03 -0.28 0.00 -0.52 0.00 0.00 55.73 56.95 3liy s ARG 10 Cb -0.16 -3.17 0.02 0.00 0.52 0.00 0.00 34.95 32.16 3liy s ARG 10 CO -0.07 -0.15 1.32 -1.25 0.02 0.00 0.00 175.30 175.16 3liy s PRO 11 N -0.68 3.30 0.29 3.54 0.04 -1.26 -4.98 135.00 135.26 3liy s PRO 11 Ca 0.53 0.16 0.11 0.00 0.04 0.00 0.00 61.00 61.83 3liy s PRO 11 Cb -0.36 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.01 3liy s PRO 11 CO 0.42 -1.97 -0.15 0.14 0.04 0.00 0.00 177.00 175.48 3liy s VAL 12 N 5.73 2.55 0.02 -0.36 -7.23 -1.26 -0.52 120.40 119.33 3liy s VAL 12 Ca 0.44 -2.30 -0.00 0.00 -1.81 0.00 0.00 61.98 58.31 3liy s VAL 12 Cb -0.09 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 3liy s VAL 12 CO 0.21 -0.35 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.11 3liy s ILE 13 N -2.51 0.12 -0.15 -0.62 2.07 0.41 -4.88 121.20 115.63 3liy s ILE 13 Ca 0.31 -1.03 -0.24 0.00 -1.41 0.00 0.00 60.65 58.28 3liy s ILE 13 Cb -0.04 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 42.10 3liy s ILE 13 CO 0.16 -0.56 0.78 -0.54 -1.91 0.00 0.00 174.94 172.86 3liy s LYS 14 N -1.79 4.31 -0.03 3.50 -0.14 -1.26 0.13 119.74 124.46 3liy s LYS 14 Ca -0.13 0.93 0.03 0.00 -1.36 0.00 0.00 55.97 55.45 3liy s LYS 14 Cb -0.08 -3.55 -0.00 0.00 -1.68 0.00 0.00 37.83 32.52 3liy s LYS 14 CO -0.02 -0.25 -0.13 0.00 -0.76 0.00 0.00 175.35 174.20 3liy s ALA 15 N 1.87 1.14 -0.36 5.17 0.00 0.10 -3.86 121.76 125.83 3liy s ALA 15 Ca 0.37 -0.51 -0.22 0.00 0.00 0.00 0.00 51.96 51.60 3liy s ALA 15 Cb -0.17 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3liy s ALA 15 CO 0.13 0.22 0.74 -1.14 0.00 0.00 0.00 175.76 175.71 3liy s GLN 16 N 0.02 3.75 -0.16 0.00 0.74 -0.14 -0.52 119.66 123.34 3liy s GLN 16 Ca -0.01 0.26 -0.05 0.00 0.05 0.00 0.00 55.36 55.60 3liy s GLN 16 Cb -0.09 -3.80 -0.03 0.00 1.10 0.00 0.00 33.01 30.19 3liy s GLN 16 CO 0.01 -0.80 0.01 0.08 -0.55 0.00 0.00 175.29 174.04 3liy s VAL 17 N 2.97 4.34 -0.43 1.34 1.01 0.10 -1.32 120.40 128.41 3liy s VAL 17 Ca 0.29 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3liy s VAL 17 Cb -0.14 -2.92 0.11 0.00 0.00 0.00 0.00 36.38 33.44 3liy s VAL 17 CO 0.16 0.49 0.16 -0.62 0.00 0.00 0.00 175.10 175.29 3liy s ASP 18 N 0.20 4.60 0.00 3.32 -1.08 0.04 -2.06 116.67 121.69 3liy s ASP 18 Ca 0.01 -2.54 0.19 0.00 -0.52 0.00 0.00 52.55 49.69 3liy s ASP 18 Cb -0.13 -1.65 0.97 0.00 -1.46 0.00 0.00 42.92 40.65 3liy s ASP 18 CO 0.02 -0.32 1.58 0.35 0.52 0.00 0.00 175.17 177.32 3liy n THR 19 N 3.75 0.40 -1.23 1.71 -2.24 -1.26 -1.95 114.28 113.46 3liy n THR 19 Ca 0.04 0.10 -0.10 0.00 -2.27 0.00 0.00 64.05 61.82 3liy n THR 19 Cb 0.38 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 3liy n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3liy n GLN 20 N -1.27 -1.63 -0.00 -0.78 6.02 -1.26 -4.76 117.38 113.70 3liy n GLN 20 Ca 0.09 0.78 0.01 0.00 -0.01 0.00 0.00 57.00 57.87 3liy n GLN 20 Cb 0.15 -5.02 0.01 0.00 1.02 0.00 0.00 30.24 26.39 3liy n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3liy n THR 21 N -1.94 0.16 -3.67 5.09 -2.24 -1.26 -5.09 114.28 105.33 3liy n THR 21 Ca -0.10 -0.58 -0.02 0.00 -2.27 0.00 0.00 64.05 61.08 3liy n THR 21 Cb 0.50 0.95 -0.01 0.00 -2.10 0.00 0.00 70.33 69.68 3liy n THR 21 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3liy s SER 22 N -0.29 -0.13 0.28 3.42 0.15 -1.26 -3.81 113.70 112.05 3liy s SER 22 Ca 0.03 -0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.13 3liy s SER 22 Cb 0.02 0.32 -0.12 0.00 -1.71 0.00 0.00 66.02 64.53 3liy s SER 22 CO 0.02 -0.58 1.63 1.41 1.20 0.00 0.00 173.24 176.93 3liy n HIS 23 N -0.45 2.86 -1.67 3.44 -0.00 -1.26 -4.59 115.22 113.55 3liy n HIS 23 Ca -0.07 0.20 -0.38 0.00 -0.00 0.00 0.00 57.72 57.47 3liy n HIS 23 Cb 0.62 -2.62 0.05 0.00 -0.00 0.00 0.00 29.99 28.03 3liy n HIS 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3liy n PRO 24 N 2.53 1.25 -4.00 -0.41 -0.04 -1.26 -4.89 135.00 128.18 3liy n PRO 24 Ca 0.10 0.47 -0.13 0.00 -0.04 0.00 0.00 63.50 63.90 3liy n PRO 24 Cb 0.36 -2.32 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 3liy n PRO 24 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3liy s LYS 25 N -2.76 0.23 -0.17 0.54 1.02 -0.88 -4.95 119.74 112.78 3liy s LYS 25 Ca 0.73 -0.21 -0.21 0.00 0.02 0.00 0.00 55.97 56.30 3liy s LYS 25 Cb -0.43 -0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3liy s LYS 25 CO 0.48 0.04 0.65 0.99 -0.92 0.00 0.00 175.35 176.60 3liy s THR 26 N -0.34 5.02 0.25 2.17 2.01 -1.26 -0.72 115.64 122.77 3liy s THR 26 Ca -0.02 1.26 0.07 0.00 0.31 0.00 0.00 61.69 63.31 3liy s THR 26 Cb -0.03 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 3liy s THR 26 CO -0.00 0.13 -0.08 0.27 -0.69 0.00 0.00 174.62 174.25 3liy s ILE 27 N 1.70 1.62 -0.15 1.82 -4.36 0.32 -4.92 121.20 117.22 3liy s ILE 27 Ca 0.31 -2.15 -0.21 0.00 -0.26 0.00 0.00 60.65 58.34 3liy s ILE 27 Cb -0.16 -2.29 -0.03 0.00 1.25 0.00 0.00 42.46 41.23 3liy s ILE 27 CO 0.12 -0.41 0.63 -0.70 0.24 0.00 0.00 174.94 174.81 3liy s GLU 28 N -3.71 4.29 0.03 0.37 2.12 -1.26 0.00 118.70 120.54 3liy s GLU 28 Ca 0.27 0.66 0.06 0.00 0.36 0.00 0.00 54.97 56.32 3liy s GLU 28 Cb 0.02 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.87 3liy s GLU 28 CO 0.10 -0.10 -0.18 0.00 -0.54 0.00 0.00 175.26 174.53 3liy s ALA 29 N 1.44 1.53 0.03 6.30 0.00 0.12 -4.71 121.76 126.47 3liy s ALA 29 Ca 0.31 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 3liy s ALA 29 Cb -0.16 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3liy s ALA 29 CO 0.12 0.34 1.16 -1.17 0.00 0.00 0.00 175.76 176.21 3liy s LEU 30 N -1.03 4.35 -0.40 0.00 2.96 -0.18 -0.45 118.68 123.94 3liy s LEU 30 Ca 0.06 1.91 -0.27 0.00 -0.22 0.00 0.00 54.13 55.61 3liy s LEU 30 Cb -0.08 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.06 3liy s LEU 30 CO 0.01 -0.45 1.00 -0.76 -1.32 0.00 0.00 176.35 174.83 3liy s LEU 31 N 1.25 3.90 -0.38 -0.68 1.43 0.32 0.40 118.68 124.93 3liy s LEU 31 Ca 0.57 0.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 3liy s LEU 31 Cb -0.27 -3.36 0.13 0.00 0.03 0.00 0.00 46.19 42.71 3liy s LEU 31 CO 0.28 -0.98 0.20 -0.62 0.23 0.00 0.00 176.35 175.45 3liy s ASP 32 N 2.03 3.49 0.38 2.29 2.15 -0.33 -4.80 116.67 121.88 3liy s ASP 32 Ca 0.41 -2.23 0.27 0.00 0.43 0.00 0.00 52.55 51.44 3liy s ASP 32 Cb -0.11 -0.76 1.30 0.00 -0.30 0.00 0.00 42.92 43.06 3liy s ASP 32 CO 0.22 -0.32 1.82 0.71 -0.17 0.00 0.00 175.17 177.44 3liy h THR 33 N 5.46 0.00 -0.53 1.71 1.35 -1.94 -1.51 112.91 117.46 3liy h THR 33 Ca -0.02 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3liy h THR 33 Cb 0.96 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 3liy h THR 33 CO 0.41 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3liy n GLY 34 N -0.57 1.82 3.51 5.82 0.00 -1.26 -4.80 105.19 109.71 3liy n GLY 34 Ca 0.00 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3liy n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3liy s ALA 35 N -1.48 3.38 0.24 4.61 0.00 -0.57 -4.98 121.76 122.96 3liy s ALA 35 Ca 0.38 -1.23 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 3liy s ALA 35 Cb 0.22 -2.40 0.23 0.00 0.00 0.00 0.00 23.12 21.17 3liy s ALA 35 CO 0.23 -0.71 1.91 -0.44 0.00 0.00 0.00 175.76 176.75 3liy h ASP 36 N 8.36 1.10 -5.25 0.00 3.32 -1.88 -0.46 116.42 121.62 3liy h ASP 36 Ca -0.34 -0.04 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 3liy h ASP 36 Cb 1.17 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.31 3liy h ASP 36 CO 0.59 0.82 -0.40 0.00 -1.72 0.00 0.00 179.24 178.52 3liy s MET 37 N -6.07 1.00 0.49 3.56 0.23 -1.26 -3.82 119.30 113.43 3liy s MET 37 Ca -0.13 -1.15 -0.20 0.00 -1.03 0.00 0.00 55.69 53.19 3liy s MET 37 Cb 0.17 0.34 -0.08 0.00 -1.53 0.00 0.00 34.83 33.73 3liy s MET 37 CO 0.81 -0.33 1.04 0.99 -2.03 0.00 0.00 175.02 175.50 3liy s THR 38 N -3.94 3.76 -0.07 3.16 2.01 -1.26 -4.57 115.64 114.73 3liy s THR 38 Ca 0.14 1.08 0.04 0.00 0.31 0.00 0.00 61.69 63.25 3liy s THR 38 Cb 0.05 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 69.12 3liy s THR 38 CO -0.04 -0.25 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.77 3liy s VAL 39 N -1.99 1.61 -0.04 3.82 1.01 -0.18 -1.44 120.40 123.18 3liy s VAL 39 Ca 0.67 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.94 3liy s VAL 39 Cb -0.17 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3liy s VAL 39 CO 0.21 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.91 3liy s ILE 40 N 0.31 1.87 0.38 2.22 -1.09 -0.53 -1.17 121.20 123.19 3liy s ILE 40 Ca -0.12 -0.99 -0.28 0.00 -2.23 0.00 0.00 60.65 57.04 3liy s ILE 40 Cb -0.15 -1.57 -0.11 0.00 -1.58 0.00 0.00 42.46 39.05 3liy s ILE 40 CO 0.05 0.53 1.49 -2.84 -1.23 0.00 0.00 174.94 172.93 3liy s PRO 41 N -0.29 4.09 0.56 2.79 0.02 -1.20 -0.68 135.00 140.29 3liy s PRO 41 Ca 0.02 2.57 0.33 0.00 0.02 0.00 0.00 61.00 63.94 3liy s PRO 41 Cb -0.11 -2.96 1.60 0.00 0.02 0.00 0.00 34.50 33.05 3liy s PRO 41 CO 0.02 -0.55 2.09 0.97 -0.33 0.00 0.00 177.00 179.19 3liy h ILE 42 N 2.95 0.23 0.00 2.83 2.10 -1.58 -2.17 117.51 121.87 3liy h ILE 42 Ca -0.51 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 64.97 3liy h ILE 42 Cb 1.24 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 3liy h ILE 42 CO 0.64 0.06 0.00 0.00 -1.08 0.00 0.00 178.15 177.77 3liy h ALA 43 N 1.94 1.00 -0.00 0.18 0.00 -1.90 -1.27 119.26 119.21 3liy h ALA 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3liy h ALA 43 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3liy h ALA 43 CO 0.01 0.00 -0.10 1.28 0.00 0.00 0.00 179.25 180.44 3liy n LEU 44 N -2.50 0.19 -4.83 0.00 4.77 -0.81 -4.87 117.00 108.95 3liy n LEU 44 Ca -0.01 0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.93 3liy n LEU 44 Cb 0.11 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3liy n LEU 44 CO 0.16 0.04 -0.22 -0.36 -1.33 0.00 0.00 177.39 175.68 3liy s PHE 45 N -2.76 3.29 0.45 -1.77 0.08 -0.48 -4.67 117.98 112.12 3liy s PHE 45 Ca 0.21 0.11 -0.25 0.00 0.12 0.00 0.00 56.93 57.12 3liy s PHE 45 Cb 0.19 -1.64 -0.08 0.00 -0.57 0.00 0.00 43.02 40.92 3liy s PHE 45 CO 0.52 0.54 1.33 -1.54 -0.10 0.00 0.00 175.22 175.97 3liy s SER 46 N -2.59 6.01 0.03 1.36 1.04 -1.25 -4.92 113.70 113.38 3liy s SER 46 Ca 0.31 2.69 -0.37 0.00 0.48 0.00 0.00 55.95 59.06 3liy s SER 46 Cb -0.12 -2.64 -0.17 0.00 0.10 0.00 0.00 66.02 63.20 3liy s SER 46 CO 0.24 -1.06 1.39 -1.20 0.98 0.00 0.00 173.24 173.59 3liy n SER 47 N -0.22 1.69 -0.65 7.02 7.64 -1.26 -2.36 113.62 125.48 3liy n SER 47 Ca 0.06 1.11 -0.07 0.00 1.01 0.00 0.00 58.87 60.98 3liy n SER 47 Cb 0.44 -1.17 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 3liy n SER 47 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3liy n ASN 48 N 2.90 -3.56 -4.77 6.43 3.02 -1.26 -5.02 115.26 113.01 3liy n ASN 48 Ca 0.20 0.13 -0.39 0.00 -0.03 0.00 0.00 54.58 54.48 3liy n ASN 48 Cb 0.18 -2.06 -0.01 0.00 -0.61 0.00 0.00 39.78 37.28 3liy n ASN 48 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3liy s THR 49 N -2.30 2.77 0.07 3.41 -4.23 -0.99 -4.98 115.64 109.38 3liy s THR 49 Ca 0.00 0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 60.90 3liy s THR 49 Cb 0.00 -3.41 -0.08 0.00 1.34 0.00 0.00 72.50 70.35 3liy s THR 49 CO 0.00 0.11 1.68 -2.84 -0.54 0.00 0.00 174.62 173.03 3liy s PRO 50 N -2.17 4.19 0.00 3.99 0.02 -1.26 -5.00 135.00 134.77 3liy s PRO 50 Ca 0.55 2.36 0.01 0.00 0.02 0.00 0.00 61.00 63.95 3liy s PRO 50 Cb -0.37 -3.63 -0.01 0.00 0.02 0.00 0.00 34.50 30.51 3liy s PRO 50 CO 0.47 -0.76 -0.05 -0.51 -0.33 0.00 0.00 177.00 175.82 3liy s LEU 51 N 2.78 2.04 0.00 -5.54 1.43 -1.26 -4.00 118.68 114.13 3liy s LEU 51 Ca 0.75 -0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.58 3liy s LEU 51 Cb -0.40 -0.23 -0.06 0.00 0.03 0.00 0.00 46.19 45.54 3liy s LEU 51 CO 0.33 0.02 0.38 -0.54 0.23 0.00 0.00 176.35 176.77 3liy s LYS 52 N -0.28 3.84 0.43 1.70 1.02 0.60 -4.87 119.74 122.18 3liy s LYS 52 Ca 0.00 0.32 -0.25 0.00 0.02 0.00 0.00 55.97 56.06 3liy s LYS 52 Cb -0.03 -3.18 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 3liy s LYS 52 CO -0.00 0.68 1.30 0.09 -0.92 0.00 0.00 175.35 176.49 3liy n ASN 53 N 1.66 2.68 -3.53 2.83 3.02 -1.26 0.12 115.26 120.79 3liy n ASN 53 Ca -0.13 1.11 -0.13 0.00 -0.03 0.00 0.00 54.58 55.39 3liy n ASN 53 Cb 0.53 -1.52 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 3liy n ASN 53 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3liy s THR 54 N -1.20 0.02 0.03 3.41 -1.32 -1.25 -4.61 115.64 110.72 3liy s THR 54 Ca 0.61 -0.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.90 3liy s THR 54 Cb -0.50 -1.02 -0.04 0.00 -1.51 0.00 0.00 72.50 69.43 3liy s THR 54 CO 0.58 -0.11 0.08 -0.44 -2.21 0.00 0.00 174.62 172.52 3liy s SER 55 N -2.34 5.62 -0.00 8.08 0.01 -1.26 -4.54 113.70 119.27 3liy s SER 55 Ca -0.02 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.34 3liy s SER 55 Cb -0.00 -1.58 -0.00 0.00 0.21 0.00 0.00 66.02 64.65 3liy s SER 55 CO -0.07 0.23 -0.03 -0.69 0.41 0.00 0.00 173.24 173.09 3liy s VAL 56 N -1.27 0.28 -0.18 3.43 1.01 -0.67 -5.00 120.40 118.00 3liy s VAL 56 Ca 0.25 -0.15 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3liy s VAL 56 Cb -0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3liy s VAL 56 CO 0.17 0.08 0.06 -0.22 0.00 0.00 0.00 175.10 175.19 3liy s LEU 57 N -0.05 3.79 0.00 3.92 0.20 -1.26 -1.04 118.68 124.24 3liy s LEU 57 Ca 0.01 0.08 0.00 0.00 0.69 0.00 0.00 54.13 54.91 3liy s LEU 57 Cb -0.02 -1.95 0.00 0.00 -0.43 0.00 0.00 46.19 43.79 3liy s LEU 57 CO -0.00 0.19 0.00 0.61 -0.29 0.00 0.00 176.35 176.85 3liy n GLY 58 N 3.45 4.74 0.30 7.98 0.00 -0.58 -5.00 105.19 116.08 3liy n GLY 58 Ca -0.17 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 3liy n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3liy h ALA 59 N 1.23 1.31 -0.16 4.61 0.00 -2.03 -0.12 119.26 124.10 3liy h ALA 59 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3liy h ALA 59 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3liy h ALA 59 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3liy n GLY 60 N -0.97 0.18 0.95 0.00 0.00 -1.26 -5.03 105.19 99.07 3liy n GLY 60 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3liy n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3liy n GLY 61 N 0.64 -0.91 3.78 -0.02 0.00 -0.06 -4.97 105.19 103.67 3liy n GLY 61 Ca 0.06 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 43.88 3liy n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3liy s GLN 62 N 0.00 4.16 -0.10 1.61 0.74 -1.26 -1.53 119.66 123.28 3liy s GLN 62 Ca 0.00 0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.95 3liy s GLN 62 Cb 0.00 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.79 3liy s GLN 62 CO 0.00 0.45 -0.21 -0.08 -0.55 0.00 0.00 175.29 174.89 3liy s THR 63 N -0.35 2.30 -0.25 -0.34 -1.32 -0.20 -4.99 115.64 110.49 3liy s THR 63 Ca 0.26 -0.94 0.23 0.00 -1.21 0.00 0.00 61.69 60.03 3liy s THR 63 Cb -0.17 -1.89 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 3liy s THR 63 CO 0.13 0.55 1.04 0.00 -2.21 0.00 0.00 174.62 174.14 3liy n GLN 64 N 3.42 0.59 -0.07 7.08 1.13 -1.26 -1.67 117.38 126.60 3liy n GLN 64 Ca -0.19 0.11 -0.08 0.00 -1.94 0.00 0.00 57.00 54.91 3liy n GLN 64 Cb 0.53 -1.81 -0.09 0.00 0.11 0.00 0.00 30.24 28.97 3liy n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3liy n ASP 65 N -2.63 2.12 0.10 1.08 10.43 -1.26 -4.51 116.55 121.87 3liy n ASP 65 Ca 0.00 -0.03 -0.05 0.00 2.57 0.00 0.00 54.79 57.28 3liy n ASP 65 Cb 0.54 0.49 0.09 0.00 1.84 0.00 0.00 41.12 44.08 3liy n ASP 65 CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 177.20 176.58 3liy h HIS 66 N 0.00 0.19 -4.27 1.24 3.86 -1.89 -3.45 115.15 110.84 3liy h HIS 66 Ca -0.35 -0.08 -0.69 0.00 -1.16 0.00 0.00 60.37 58.08 3liy h HIS 66 Cb 1.72 -0.03 -0.26 0.00 1.06 0.00 0.00 27.41 29.90 3liy h HIS 66 CO 0.01 0.80 -0.85 -0.06 0.86 0.00 0.00 177.93 178.69 3liy s PHE 67 N -3.50 2.45 0.37 2.45 0.08 -1.26 -1.13 117.98 117.44 3liy s PHE 67 Ca -0.03 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 56.77 3liy s PHE 67 Cb 0.12 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3liy s PHE 67 CO 0.80 0.12 0.22 0.15 -0.10 0.00 0.00 175.22 176.40 3liy s LYS 68 N -1.01 2.43 -0.10 0.44 -0.14 -0.46 -3.83 119.74 117.08 3liy s LYS 68 Ca 0.12 -1.56 -0.03 0.00 -1.36 0.00 0.00 55.97 53.14 3liy s LYS 68 Cb -0.10 -2.23 -0.03 0.00 -1.68 0.00 0.00 37.83 33.79 3liy s LYS 68 CO 0.02 0.01 0.04 -1.17 -0.76 0.00 0.00 175.35 173.48 3liy s LEU 69 N -3.93 3.78 0.83 3.17 2.96 0.12 -0.36 118.68 125.24 3liy s LEU 69 Ca 0.41 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.43 3liy s LEU 69 Cb -0.02 -1.88 0.09 0.00 0.50 0.00 0.00 46.19 44.88 3liy s LEU 69 CO 0.24 0.38 1.13 0.42 -1.32 0.00 0.00 176.35 177.20 3liy s THR 70 N -0.88 2.67 -0.13 3.68 -4.23 -0.87 -0.29 115.64 115.59 3liy s THR 70 Ca 0.13 0.23 0.17 0.00 -1.18 0.00 0.00 61.69 61.05 3liy s THR 70 Cb -0.12 -2.51 -0.23 0.00 1.34 0.00 0.00 72.50 70.99 3liy s THR 70 CO 0.03 -0.27 0.45 -1.20 -0.54 0.00 0.00 174.62 173.08 3liy n SER 71 N -3.76 0.39 -4.60 3.99 7.64 -1.26 -4.69 113.62 111.34 3liy n SER 71 Ca 0.11 0.18 -0.24 0.00 1.01 0.00 0.00 58.87 59.92 3liy n SER 71 Cb 0.52 0.75 -0.08 0.00 -1.01 0.00 0.00 64.21 64.39 3liy n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3liy s LEU 72 N -5.51 3.04 0.75 -3.43 1.43 -1.26 -5.08 118.68 108.62 3liy s LEU 72 Ca -0.07 -0.70 -0.14 0.00 -1.03 0.00 0.00 54.13 52.19 3liy s LEU 72 Cb 0.08 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.76 3liy s LEU 72 CO 0.84 0.03 1.17 -2.84 0.23 0.00 0.00 176.35 175.77 3liy s PRO 73 N -3.47 2.08 -0.15 1.29 0.02 -1.25 -4.71 135.00 128.81 3liy s PRO 73 Ca 0.30 1.61 -0.00 0.00 0.02 0.00 0.00 61.00 62.92 3liy s PRO 73 Cb -0.07 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3liy s PRO 73 CO 0.18 -1.85 -0.14 0.08 -0.33 0.00 0.00 177.00 174.94 3liy s VAL 74 N -2.24 2.81 -0.11 3.83 1.01 -0.58 -4.54 120.40 120.59 3liy s VAL 74 Ca 0.71 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3liy s VAL 74 Cb -0.25 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 3liy s VAL 74 CO 0.48 0.51 0.15 -0.76 0.00 0.00 0.00 175.10 175.47 3liy s LEU 75 N 0.70 4.38 -0.06 3.92 1.43 -0.82 -1.16 118.68 127.07 3liy s LEU 75 Ca -0.07 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 3liy s LEU 75 Cb -0.16 -2.14 0.02 0.00 0.03 0.00 0.00 46.19 43.94 3liy s LEU 75 CO 0.02 0.39 -0.07 -0.63 0.23 0.00 0.00 176.35 176.29 3liy s ILE 76 N -1.07 0.74 -0.09 -0.59 1.01 -0.00 -0.78 121.20 120.41 3liy s ILE 76 Ca 0.17 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.63 3liy s ILE 76 Cb -0.12 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.60 3liy s ILE 76 CO 0.06 0.28 -0.21 -0.13 0.00 0.00 0.00 174.94 174.93 3liy s ARG 77 N 0.99 2.97 0.54 2.79 0.52 -0.44 -0.11 118.95 126.21 3liy s ARG 77 Ca -0.10 -0.83 -0.00 0.00 -0.52 0.00 0.00 55.73 54.28 3liy s ARG 77 Cb -0.14 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.01 3liy s ARG 77 CO 0.00 0.26 0.78 -0.51 0.02 0.00 0.00 175.30 175.85 3liy s LEU 78 N 0.16 3.34 0.17 2.53 1.02 -1.26 -0.97 118.68 123.67 3liy s LEU 78 Ca -0.12 0.18 -0.33 0.00 0.02 0.00 0.00 54.13 53.88 3liy s LEU 78 Cb -0.16 -3.03 -0.15 0.00 0.02 0.00 0.00 46.19 42.86 3liy s LEU 78 CO 0.07 -1.05 1.25 -2.65 0.02 0.00 0.00 176.35 173.98 3liy n PRO 79 N -2.34 1.35 -1.44 1.29 -0.02 -1.25 -2.02 135.00 130.58 3liy n PRO 79 Ca 0.06 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 61.87 3liy n PRO 79 Cb 0.59 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.97 3liy n PRO 79 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3liy n PHE 80 N 1.78 0.00 -4.82 6.00 3.72 -1.26 -4.96 117.46 117.91 3liy n PHE 80 Ca 0.15 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.26 3liy n PHE 80 Cb 0.25 -2.82 -0.17 0.00 -0.94 0.00 0.00 39.48 35.81 3liy n PHE 80 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3liy s ARG 81 N -3.24 2.52 -0.05 -1.08 1.81 -0.85 -5.03 118.95 113.03 3liy s ARG 81 Ca 0.00 -0.69 -0.15 0.00 -1.72 0.00 0.00 55.73 53.18 3liy s ARG 81 Cb 0.00 -2.00 -0.31 0.00 -0.45 0.00 0.00 34.95 32.20 3liy s ARG 81 CO 0.00 0.06 0.72 1.79 -0.68 0.00 0.00 175.30 177.20 3liy h THR 82 N 5.84 1.10 -2.79 0.02 1.35 -1.93 -3.38 112.91 113.12 3liy h THR 82 Ca -0.26 -2.52 -0.53 0.00 -0.55 0.00 0.00 66.41 62.55 3liy h THR 82 Cb 1.21 2.86 0.04 0.00 -1.73 0.00 0.00 68.15 70.52 3liy h THR 82 CO 0.49 0.79 0.90 -0.89 -0.25 0.00 0.00 175.52 176.56 3liy s THR 83 N -2.53 2.74 0.21 6.82 2.01 -1.26 -4.99 115.64 118.63 3liy s THR 83 Ca -0.16 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.15 3liy s THR 83 Cb 0.04 -3.30 -0.08 0.00 0.01 0.00 0.00 72.50 69.17 3liy s THR 83 CO 0.84 0.03 0.64 -2.16 -0.69 0.00 0.00 174.62 173.28 3liy s PRO 84 N 1.51 4.08 0.25 4.92 0.04 -1.26 -4.75 135.00 139.79 3liy s PRO 84 Ca 0.71 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 3liy s PRO 84 Cb -0.43 -2.83 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 3liy s PRO 84 CO 0.31 0.39 1.46 0.42 0.04 0.00 0.00 177.00 179.62 3liy s ILE 85 N -1.58 2.61 -0.22 0.56 1.01 0.84 -4.86 121.20 119.56 3liy s ILE 85 Ca 0.43 0.51 0.02 0.00 0.00 0.00 0.00 60.65 61.60 3liy s ILE 85 Cb -0.15 -3.33 0.04 0.00 0.01 0.00 0.00 42.46 39.04 3liy s ILE 85 CO 0.20 0.08 -0.14 -0.69 0.00 0.00 0.00 174.94 174.39 3liy s VAL 86 N 0.03 2.03 -0.26 2.92 1.01 -1.26 -0.82 120.40 124.04 3liy s VAL 86 Ca 0.60 -1.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.23 3liy s VAL 86 Cb -0.42 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3liy s VAL 86 CO 0.43 0.21 0.11 -0.76 0.00 0.00 0.00 175.10 175.09 3liy s LEU 87 N 1.22 3.65 0.33 3.92 1.43 -0.31 -4.96 118.68 123.96 3liy s LEU 87 Ca -0.03 -0.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3liy s LEU 87 Cb -0.17 -1.98 0.71 0.00 0.03 0.00 0.00 46.19 44.79 3liy s LEU 87 CO -0.08 -0.05 1.86 0.74 0.23 0.00 0.00 176.35 179.04 3liy h THR 88 N 5.51 0.88 -3.02 5.49 2.02 -1.93 -1.53 112.91 120.32 3liy h THR 88 Ca -0.37 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 66.46 3liy h THR 88 Cb 1.18 -0.01 -0.16 0.00 -1.74 0.00 0.00 68.15 67.42 3liy h THR 88 CO 0.57 0.15 -0.07 -0.55 0.37 0.00 0.00 175.52 175.99 3liy s SER 89 N -5.77 -0.31 0.36 4.18 0.15 -1.26 -3.82 113.70 107.23 3liy s SER 89 Ca -0.11 -0.00 -0.16 0.00 0.70 0.00 0.00 55.95 56.38 3liy s SER 89 Cb 0.22 0.45 0.04 0.00 -1.71 0.00 0.00 66.02 65.02 3liy s SER 89 CO 0.80 -0.70 0.75 0.00 1.20 0.00 0.00 173.24 175.28 3liy s LEU 91 N -3.04 3.75 -0.13 0.00 1.43 -0.52 -2.06 118.68 118.11 3liy s LEU 91 Ca 0.16 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 3liy s LEU 91 Cb -0.05 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.06 3liy s LEU 91 CO 0.11 -0.47 -0.06 -0.69 0.23 0.00 0.00 176.35 175.47 3liy s VAL 92 N -2.47 0.98 -0.52 -1.59 1.01 0.51 -1.45 120.40 116.87 3liy s VAL 92 Ca 0.53 -0.35 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 3liy s VAL 92 Cb -0.10 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.24 3liy s VAL 92 CO 0.33 0.28 1.15 -0.62 0.00 0.00 0.00 175.10 176.23 3liy s ASP 93 N 1.72 6.55 0.00 3.32 2.15 0.14 -1.36 116.67 129.19 3liy s ASP 93 Ca 0.04 0.29 0.19 0.00 0.43 0.00 0.00 52.55 53.50 3liy s ASP 93 Cb -0.13 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 40.88 3liy s ASP 93 CO -0.08 -1.34 1.60 0.35 -0.17 0.00 0.00 175.17 175.53 3liy n THR 94 N 6.76 0.47 0.30 1.71 -2.24 -0.28 -1.48 114.28 119.52 3liy n THR 94 Ca 0.10 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 62.09 3liy n THR 94 Cb 0.49 -0.80 0.16 0.00 -2.10 0.00 0.00 70.33 68.08 3liy n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3liy n LYS 95 N -1.33 2.14 -2.10 -0.78 4.76 -1.26 -4.91 118.16 114.68 3liy n LYS 95 Ca 0.08 -1.99 -0.20 0.00 -2.87 0.00 0.00 58.31 53.33 3liy n LYS 95 Cb 0.17 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 3liy n LYS 95 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3liy n ASN 96 N 1.13 -5.55 -0.03 4.39 3.02 -0.93 -4.88 115.26 112.41 3liy n ASN 96 Ca 0.15 0.19 -0.11 0.00 -0.03 0.00 0.00 54.58 54.77 3liy n ASN 96 Cb 0.51 -4.73 -0.14 0.00 -0.61 0.00 0.00 39.78 34.81 3liy n ASN 96 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3liy n ASN 97 N -1.73 0.98 -4.10 6.41 5.03 -1.26 -4.98 115.26 115.61 3liy n ASN 97 Ca -0.22 0.31 -0.26 0.00 0.87 0.00 0.00 54.58 55.28 3liy n ASN 97 Cb 0.67 -0.05 -0.16 0.00 -1.02 0.00 0.00 39.78 39.22 3liy n ASN 97 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3liy s TRP 98 N -2.57 1.70 -0.20 3.10 0.52 -1.26 -5.10 118.94 115.13 3liy s TRP 98 Ca -0.09 -0.58 -0.00 0.00 0.02 0.00 0.00 56.10 55.45 3liy s TRP 98 Cb 0.08 -1.18 0.05 0.00 -1.15 0.00 0.00 33.47 31.27 3liy s TRP 98 CO 0.81 -0.24 -0.05 0.00 0.02 0.00 0.00 176.95 177.49 3liy s ALA 99 N 0.34 1.68 -0.08 0.98 0.00 -1.26 -3.24 121.76 120.18 3liy s ALA 99 Ca -0.10 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 3liy s ALA 99 Cb -0.14 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.73 3liy s ALA 99 CO 0.04 -1.00 -0.04 0.42 0.00 0.00 0.00 175.76 175.18 3liy s ILE 100 N 1.54 0.67 -0.39 0.00 1.01 -0.32 -1.01 121.20 122.70 3liy s ILE 100 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 60.65 60.32 3liy s ILE 100 Cb -0.17 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.57 3liy s ILE 100 CO -0.07 0.30 0.69 -0.63 0.00 0.00 0.00 174.94 175.22 3liy s ILE 101 N 1.63 4.81 0.33 2.92 -1.09 0.16 -1.01 121.20 128.94 3liy s ILE 101 Ca 0.01 0.50 0.05 0.00 -2.23 0.00 0.00 60.65 58.98 3liy s ILE 101 Cb -0.13 -4.17 0.05 0.00 -1.58 0.00 0.00 42.46 36.63 3liy s ILE 101 CO -0.05 -0.47 0.43 0.61 -1.23 0.00 0.00 174.94 174.23 3liy n GLY 102 N 4.79 2.05 0.26 6.18 0.00 -1.26 -1.18 105.19 116.02 3liy n GLY 102 Ca 0.00 -2.19 0.13 0.00 0.00 0.00 0.00 46.02 43.96 3liy n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3liy h ARG 103 N 0.00 0.00 -0.56 1.61 3.08 -1.22 -1.23 114.38 116.06 3liy h ARG 103 Ca -0.16 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3liy h ARG 103 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 3liy h ARG 103 CO 0.23 0.12 0.31 0.38 -1.07 0.00 0.00 179.97 179.94 3liy h ASP 104 N 0.00 0.69 -0.01 7.04 2.03 -1.80 0.66 116.42 125.03 3liy h ASP 104 Ca -0.00 -0.08 -0.24 0.00 -0.73 0.00 0.00 57.03 55.98 3liy h ASP 104 Cb 0.48 -0.17 0.02 0.00 -0.83 0.00 0.00 39.33 38.82 3liy h ASP 104 CO 0.02 0.57 -0.93 0.00 -1.03 0.00 0.00 179.24 177.87 3liy h ALA 105 N 1.14 0.12 -0.44 4.15 0.00 -1.82 -3.24 119.26 119.17 3liy h ALA 105 Ca 0.20 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3liy h ALA 105 Cb 0.03 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3liy h ALA 105 CO -0.03 0.61 -0.01 -0.07 0.00 0.00 0.00 179.25 179.75 3liy h LEU 106 N 0.29 0.70 -0.80 0.00 -0.00 -1.07 -1.48 115.31 112.94 3liy h LEU 106 Ca -0.11 -0.16 0.05 0.00 -0.00 0.00 0.00 57.88 57.66 3liy h LEU 106 Cb 1.59 -0.18 -0.06 0.00 -0.00 0.00 0.00 40.66 42.01 3liy h LEU 106 CO 0.18 0.77 0.49 -0.61 -0.00 0.00 0.00 178.44 179.27 3liy h GLN 107 N 0.68 0.88 0.00 1.13 4.15 -0.93 -1.29 115.11 119.73 3liy h GLN 107 Ca 0.14 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 3liy h GLN 107 Cb 0.43 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3liy h GLN 107 CO 0.02 0.59 -0.42 1.96 -1.93 0.00 0.00 178.83 179.04 3liy h GLN 108 N 0.91 0.00 0.00 1.69 4.20 -1.31 -1.74 115.11 118.86 3liy h GLN 108 Ca 0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.05 3liy h GLN 108 Cb 0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3liy h GLN 108 CO -0.16 0.42 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 3liy n GLN 110 N -2.30 -2.37 -2.23 0.00 6.02 -0.66 -4.97 117.38 110.87 3liy n GLN 110 Ca 0.03 0.94 -0.37 0.00 -0.01 0.00 0.00 57.00 57.59 3liy n GLN 110 Cb 0.27 -5.64 -0.00 0.00 1.02 0.00 0.00 30.24 25.88 3liy n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3liy s GLY 111 N -2.18 2.75 0.15 1.08 0.00 -0.56 -5.03 107.32 103.52 3liy s GLY 111 Ca 0.06 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.72 3liy s GLY 111 CO 0.08 1.36 -0.01 -1.34 0.00 0.00 0.00 173.10 173.18 3liy s VAL 112 N -1.59 0.64 -0.03 1.40 -7.23 -1.26 -4.73 120.40 107.60 3liy s VAL 112 Ca 0.67 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.81 3liy s VAL 112 Cb -0.28 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3liy s VAL 112 CO 0.33 -0.58 0.23 -0.76 -0.31 0.00 0.00 175.10 174.00 3liy s LEU 113 N -3.13 4.38 -0.15 1.32 1.43 -1.26 -5.10 118.68 116.18 3liy s LEU 113 Ca 0.21 0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3liy s LEU 113 Cb 0.06 -2.51 0.03 0.00 0.03 0.00 0.00 46.19 43.80 3liy s LEU 113 CO 0.01 0.30 -0.09 -0.47 0.23 0.00 0.00 176.35 176.33 3liy s TYR 114 N -1.22 1.89 -0.36 0.29 5.04 -1.26 -5.09 117.35 116.63 3liy s TYR 114 Ca 0.24 -1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 53.71 3liy s TYR 114 Cb -0.13 -1.43 0.06 0.00 0.35 0.00 0.00 41.96 40.81 3liy s TYR 114 CO 0.13 -0.62 0.14 -0.51 -1.34 0.00 0.00 175.55 173.36 3liy s LEU 115 N 1.57 4.59 0.00 6.97 1.43 -1.26 -5.16 118.68 126.83 3liy s LEU 115 Ca 0.03 -1.35 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 3liy s LEU 115 Cb -0.14 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.20 3liy s LEU 115 CO -0.09 -0.40 0.39 -2.65 0.23 0.00 0.00 176.35 173.83