#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 4.51 -0.33 0.52 1.01 -1.26 -5.08 120.40 119.78 3liy s VAL 2 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 3liy s VAL 2 Cb 0.00 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.38 3liy s VAL 2 CO 0.00 0.40 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 3liy s ILE 3 N 0.96 3.09 0.78 2.22 1.01 -1.26 -5.10 121.20 122.91 3liy s ILE 3 Ca 0.04 -1.52 -0.11 0.00 0.00 0.00 0.00 60.65 59.06 3liy s ILE 3 Cb -0.14 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.54 3liy s ILE 3 CO 0.03 -0.24 1.11 -2.16 0.00 0.00 0.00 174.94 173.68 3liy s PRO 4 N 1.23 2.09 -0.11 2.79 0.04 -1.26 -5.02 135.00 134.77 3liy s PRO 4 Ca -0.02 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.34 3liy s PRO 4 Cb -0.20 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3liy s PRO 4 CO -0.02 -1.79 -0.14 -0.51 0.04 0.00 0.00 177.00 174.59 3liy s LEU 5 N -5.86 2.67 -0.15 -3.56 1.43 -1.26 -4.89 118.68 107.06 3liy s LEU 5 Ca 0.64 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 3liy s LEU 5 Cb -0.19 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 44.51 3liy s LEU 5 CO 0.54 0.20 0.33 -0.62 0.23 0.00 0.00 176.35 177.02 3liy s ASP 6 N 0.17 -0.12 0.51 2.29 -1.08 -1.26 -5.03 116.67 112.13 3liy s ASP 6 Ca -0.08 0.75 0.19 0.00 -0.52 0.00 0.00 52.55 52.89 3liy s ASP 6 Cb -0.15 0.82 1.26 0.00 -1.46 0.00 0.00 42.92 43.39 3liy s ASP 6 CO 0.05 -0.21 2.06 1.55 0.52 0.00 0.00 175.17 179.14 3liy h PRO 7 N 7.77 0.09 0.00 4.34 0.13 -2.03 -2.54 132.00 139.77 3liy h PRO 7 Ca -0.25 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3liy h PRO 7 Cb 1.14 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3liy h PRO 7 CO 0.22 0.06 -0.26 0.00 -0.23 0.00 0.00 178.00 177.79 3liy n ALA 8 N -2.57 2.71 -3.68 -0.56 0.00 -1.26 -4.69 120.51 110.46 3liy n ALA 8 Ca 0.04 -0.17 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 3liy n ALA 8 Cb 0.33 -1.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.07 0.42 0.33 0.00 0.52 -0.96 -5.13 118.95 111.07 3liy s ARG 9 Ca 0.11 -0.33 -0.29 0.00 -0.52 0.00 0.00 55.73 54.70 3liy s ARG 9 Cb 0.15 -1.96 -0.10 0.00 0.52 0.00 0.00 34.95 33.56 3liy s ARG 9 CO 0.63 -0.68 1.30 1.03 0.02 0.00 0.00 175.30 177.60 3liy s ARG 10 N 1.96 4.35 -0.78 3.54 0.52 -1.26 -4.28 118.95 123.00 3liy s ARG 10 Ca 0.01 2.20 -0.26 0.00 -0.52 0.00 0.00 55.73 57.17 3liy s ARG 10 Cb -0.17 -3.06 0.04 0.00 0.52 0.00 0.00 34.95 32.28 3liy s ARG 10 CO -0.10 -0.19 1.28 -1.25 0.02 0.00 0.00 175.30 175.06 3liy s PRO 11 N -1.80 3.25 0.15 3.54 0.04 -1.26 -4.96 135.00 133.96 3liy s PRO 11 Ca 0.49 -0.46 0.11 0.00 0.04 0.00 0.00 61.00 61.18 3liy s PRO 11 Cb -0.39 -4.39 -0.04 0.00 0.04 0.00 0.00 34.50 29.72 3liy s PRO 11 CO 0.52 -2.12 -0.24 0.14 0.04 0.00 0.00 177.00 175.34 3liy s VAL 12 N 5.42 2.40 0.06 -0.36 -7.23 -1.26 -0.33 120.40 119.09 3liy s VAL 12 Ca 0.36 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3liy s VAL 12 Cb -0.07 -2.10 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 3liy s VAL 12 CO 0.10 0.03 -0.06 0.27 -0.31 0.00 0.00 175.10 175.13 3liy s ILE 13 N -1.26 0.47 0.21 -0.62 -4.36 -0.21 -4.94 121.20 110.48 3liy s ILE 13 Ca 0.17 -1.48 -0.30 0.00 -0.26 0.00 0.00 60.65 58.78 3liy s ILE 13 Cb -0.09 -1.09 -0.08 0.00 1.25 0.00 0.00 42.46 42.44 3liy s ILE 13 CO 0.08 -0.68 1.05 -0.54 0.24 0.00 0.00 174.94 175.09 3liy s LYS 14 N -2.76 4.67 -0.00 0.37 3.01 -1.26 -0.32 119.74 123.45 3liy s LYS 14 Ca -0.00 1.66 -0.02 0.00 -1.01 0.00 0.00 55.97 56.60 3liy s LYS 14 Cb -0.01 -3.27 -0.00 0.00 -1.01 0.00 0.00 37.83 33.54 3liy s LYS 14 CO -0.04 0.22 0.04 0.00 0.51 0.00 0.00 175.35 176.08 3liy s ALA 15 N -0.64 -0.08 -0.28 5.17 0.00 0.02 -4.00 121.76 121.95 3liy s ALA 15 Ca 0.46 -0.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.18 3liy s ALA 15 Cb -0.29 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3liy s ALA 15 CO 0.35 -0.09 0.25 -1.14 0.00 0.00 0.00 175.76 175.13 3liy s GLN 16 N -0.64 3.96 -0.19 0.00 0.74 0.00 -0.32 119.66 123.21 3liy s GLN 16 Ca -0.07 -0.21 -0.03 0.00 0.05 0.00 0.00 55.36 55.10 3liy s GLN 16 Cb -0.04 -3.66 -0.01 0.00 1.10 0.00 0.00 33.01 30.39 3liy s GLN 16 CO -0.00 -0.22 -0.06 0.08 -0.55 0.00 0.00 175.29 174.53 3liy s VAL 17 N 1.86 3.36 -0.35 1.34 1.01 0.65 -0.51 120.40 127.77 3liy s VAL 17 Ca 0.10 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 3liy s VAL 17 Cb -0.16 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.78 3liy s VAL 17 CO 0.11 0.46 0.11 -0.62 0.00 0.00 0.00 175.10 175.15 3liy s ASP 18 N 1.04 5.25 0.00 3.32 2.15 0.10 -1.46 116.67 127.07 3liy s ASP 18 Ca 0.00 -1.31 0.30 0.00 0.43 0.00 0.00 52.55 51.97 3liy s ASP 18 Cb -0.15 -1.84 1.41 0.00 -0.30 0.00 0.00 42.92 42.04 3liy s ASP 18 CO -0.00 -0.36 2.00 0.35 -0.17 0.00 0.00 175.17 176.99 3liy n THR 19 N 4.76 0.00 -1.22 1.71 -2.24 -1.26 -1.27 114.28 114.75 3liy n THR 19 Ca -0.11 -0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.59 3liy n THR 19 Cb 0.44 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.32 -1.19 -0.00 -0.78 6.02 -1.26 -4.82 117.38 114.03 3liy n GLN 20 Ca 0.12 0.70 0.02 0.00 -0.01 0.00 0.00 57.00 57.83 3liy n GLN 20 Cb 0.27 -4.78 -0.02 0.00 1.02 0.00 0.00 30.24 26.72 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 -2.45 0.00 -3.68 5.09 -2.24 -1.26 -5.07 114.28 104.68 3liy n THR 21 Ca -0.08 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.29 3liy n THR 21 Cb 0.42 0.86 0.02 0.00 -2.10 0.00 0.00 70.33 69.54 3liy n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3liy n SER 22 N -1.22 -1.92 -4.76 3.42 3.41 -1.26 -4.39 113.62 106.91 3liy n SER 22 Ca 0.00 -2.31 -0.33 0.00 -0.26 0.00 0.00 58.87 55.97 3liy n SER 22 Cb 0.07 3.19 0.06 0.00 -0.26 0.00 0.00 64.21 67.26 3liy n SER 22 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3liy s HIS 23 N -3.19 2.48 0.40 7.33 0.00 -1.26 -4.53 115.29 116.51 3liy s HIS 23 Ca 0.14 1.56 -0.27 0.00 -3.00 0.00 0.00 55.06 53.49 3liy s HIS 23 Cb -0.04 -3.25 -0.10 0.00 -4.00 0.00 0.00 32.58 25.19 3liy s HIS 23 CO 0.10 -1.91 1.40 -2.14 -1.00 0.00 0.00 174.74 171.18 3liy s PRO 24 N -3.99 4.00 0.15 -0.38 0.02 -1.26 -4.83 135.00 128.72 3liy s PRO 24 Ca 0.69 2.38 0.06 0.00 0.02 0.00 0.00 61.00 64.16 3liy s PRO 24 Cb -0.23 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 3liy s PRO 24 CO 0.41 -0.55 -0.14 0.15 -0.33 0.00 0.00 177.00 176.55 3liy s LYS 25 N -2.17 1.13 -0.14 5.54 1.02 -0.54 -4.91 119.74 119.67 3liy s LYS 25 Ca 0.55 -1.38 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 3liy s LYS 25 Cb -0.43 -0.95 -0.04 0.00 -0.52 0.00 0.00 37.83 35.90 3liy s LYS 25 CO 0.56 0.17 0.51 0.99 -0.92 0.00 0.00 175.35 176.67 3liy s THR 26 N -2.56 5.15 0.25 2.17 2.01 -1.26 -0.25 115.64 121.15 3liy s THR 26 Ca 0.14 1.00 0.07 0.00 0.31 0.00 0.00 61.69 63.22 3liy s THR 26 Cb -0.03 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 3liy s THR 26 CO 0.04 0.27 -0.08 0.27 -0.69 0.00 0.00 174.62 174.43 3liy s ILE 27 N 0.96 1.64 -0.30 1.82 -4.36 0.56 -4.97 121.20 116.55 3liy s ILE 27 Ca 0.27 -2.15 -0.10 0.00 -0.26 0.00 0.00 60.65 58.41 3liy s ILE 27 Cb -0.15 -2.32 -0.02 0.00 1.25 0.00 0.00 42.46 41.21 3liy s ILE 27 CO 0.11 -0.39 0.15 -0.70 0.24 0.00 0.00 174.94 174.35 3liy s GLU 28 N -3.71 3.50 0.03 0.37 2.12 -1.26 -0.80 118.70 118.95 3liy s GLU 28 Ca 0.27 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 55.06 3liy s GLU 28 Cb 0.02 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 3liy s GLU 28 CO 0.10 -0.34 -0.18 0.00 -0.54 0.00 0.00 175.26 174.30 3liy s ALA 29 N 1.64 2.57 -0.03 6.30 0.00 0.57 -4.64 121.76 128.17 3liy s ALA 29 Ca 0.05 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 3liy s ALA 29 Cb -0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 3liy s ALA 29 CO 0.07 0.57 0.98 -1.17 0.00 0.00 0.00 175.76 176.21 3liy s LEU 30 N -1.34 4.33 -0.42 0.00 2.96 0.23 -1.05 118.68 123.39 3liy s LEU 30 Ca 0.14 1.61 -0.25 0.00 -0.22 0.00 0.00 54.13 55.40 3liy s LEU 30 Cb -0.10 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3liy s LEU 30 CO 0.05 -0.32 0.92 -0.76 -1.32 0.00 0.00 176.35 174.91 3liy s LEU 31 N 1.32 4.01 -0.29 -0.68 1.43 0.55 -0.52 118.68 124.50 3liy s LEU 31 Ca 0.50 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 3liy s LEU 31 Cb -0.20 -3.21 0.09 0.00 0.03 0.00 0.00 46.19 42.90 3liy s LEU 31 CO 0.25 -0.95 0.05 -0.62 0.23 0.00 0.00 176.35 175.31 3liy s ASP 32 N 2.08 3.99 0.28 2.29 2.15 -0.72 -4.79 116.67 121.95 3liy s ASP 32 Ca 0.37 -1.54 0.25 0.00 0.43 0.00 0.00 52.55 52.06 3liy s ASP 32 Cb -0.11 -1.02 0.97 0.00 -0.30 0.00 0.00 42.92 42.46 3liy s ASP 32 CO 0.23 -0.36 1.75 0.71 -0.17 0.00 0.00 175.17 177.32 3liy h THR 33 N 6.55 0.00 -0.34 1.71 1.35 -1.94 -2.27 112.91 117.96 3liy h THR 33 Ca -0.13 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 3liy h THR 33 Cb 1.04 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3liy h THR 33 CO 0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3liy n GLY 34 N 0.30 0.64 3.50 5.82 0.00 -1.26 -4.80 105.19 109.39 3liy n GLY 34 Ca 0.03 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.55 3.26 0.36 4.61 0.00 -0.85 -4.97 121.76 122.62 3liy s ALA 35 Ca 0.25 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3liy s ALA 35 Cb 0.13 -2.12 0.70 0.00 0.00 0.00 0.00 23.12 21.83 3liy s ALA 35 CO 0.18 -0.38 1.94 -0.44 0.00 0.00 0.00 175.76 177.05 3liy h ASP 36 N 8.00 0.47 -4.95 0.00 3.32 -1.87 -1.06 116.42 120.33 3liy h ASP 36 Ca -0.37 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.43 3liy h ASP 36 Cb 1.18 -0.12 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 3liy h ASP 36 CO 0.59 0.48 -0.70 -0.32 -1.72 0.00 0.00 179.24 177.57 3liy s MET 37 N -5.13 0.43 0.38 3.56 1.75 -1.26 -3.78 119.30 115.26 3liy s MET 37 Ca -0.08 -0.77 -0.25 0.00 -1.25 0.00 0.00 55.69 53.34 3liy s MET 37 Cb 0.16 0.02 -0.09 0.00 2.84 0.00 0.00 34.83 37.76 3liy s MET 37 CO 0.75 -0.03 1.08 0.99 -0.65 0.00 0.00 175.02 177.16 3liy s THR 38 N -1.93 3.57 -0.10 10.11 2.01 -1.26 -4.37 115.64 123.68 3liy s THR 38 Ca -0.10 1.27 0.04 0.00 0.31 0.00 0.00 61.69 63.22 3liy s THR 38 Cb -0.06 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.75 3liy s THR 38 CO -0.02 0.08 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.07 3liy s VAL 39 N -1.53 1.94 0.17 3.82 1.01 -0.12 -1.15 120.40 124.55 3liy s VAL 39 Ca 0.56 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3liy s VAL 39 Cb -0.25 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3liy s VAL 39 CO 0.32 0.53 -0.18 0.27 0.00 0.00 0.00 175.10 176.04 3liy s ILE 40 N 0.39 1.81 0.37 2.22 -4.36 -0.40 -0.69 121.20 120.54 3liy s ILE 40 Ca -0.18 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.00 3liy s ILE 40 Cb -0.18 -1.86 -0.09 0.00 1.25 0.00 0.00 42.46 41.58 3liy s ILE 40 CO 0.08 -0.35 1.15 -2.16 0.24 0.00 0.00 174.94 173.91 3liy s PRO 41 N -2.89 4.20 0.60 0.37 0.04 -1.20 -0.78 135.00 135.34 3liy s PRO 41 Ca 0.16 1.82 0.39 0.00 0.04 0.00 0.00 61.00 63.42 3liy s PRO 41 Cb -0.05 -2.79 1.97 0.00 0.04 0.00 0.00 34.50 33.67 3liy s PRO 41 CO 0.07 -0.18 2.19 0.97 0.04 0.00 0.00 177.00 180.08 3liy h ILE 42 N 2.51 0.00 0.00 0.56 2.10 -1.57 -2.26 117.51 118.85 3liy h ILE 42 Ca -0.48 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3liy h ILE 42 Cb 1.23 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 38.10 3liy h ILE 42 CO 0.64 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.71 3liy h ALA 43 N 2.01 1.00 0.00 0.18 0.00 -1.90 -1.11 119.26 119.44 3liy h ALA 43 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3liy h ALA 43 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3liy h ALA 43 CO 0.00 0.00 -0.34 -0.07 0.00 0.00 0.00 179.25 178.84 3liy h LEU 44 N 0.00 0.00 -9.87 0.00 3.38 -1.79 -3.46 115.31 103.57 3liy h LEU 44 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3liy h LEU 44 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3liy h LEU 44 CO 0.00 0.34 -0.22 -0.36 0.09 0.00 0.00 178.44 178.29 3liy s PHE 45 N -3.68 3.54 0.77 1.13 0.40 -0.42 -4.73 117.98 114.99 3liy s PHE 45 Ca -0.00 0.79 -0.12 0.00 -0.60 0.00 0.00 56.93 56.99 3liy s PHE 45 Cb 0.11 -2.17 0.06 0.00 0.51 0.00 0.00 43.02 41.54 3liy s PHE 45 CO 0.68 0.45 1.13 -1.54 0.70 0.00 0.00 175.22 176.63 3liy s SER 46 N -1.99 4.24 0.46 1.36 1.04 -1.26 -4.91 113.70 112.63 3liy s SER 46 Ca 0.37 2.03 0.18 0.00 0.48 0.00 0.00 55.95 59.01 3liy s SER 46 Cb -0.13 -2.55 1.14 0.00 0.10 0.00 0.00 66.02 64.58 3liy s SER 46 CO 0.20 -2.22 1.95 0.77 0.98 0.00 0.00 173.24 174.92 3liy h SER 47 N -0.91 0.28 -1.25 7.02 4.64 -1.97 -2.82 113.55 118.54 3liy h SER 47 Ca -0.45 0.01 -0.58 0.00 -0.47 0.00 0.00 61.79 60.30 3liy h SER 47 Cb 1.25 -0.04 -0.42 0.00 -0.31 0.00 0.00 62.40 62.88 3liy h SER 47 CO 0.49 0.15 -0.69 -0.46 -0.87 0.00 0.00 176.83 175.45 3liy n ASN 48 N -4.45 4.90 -4.71 4.97 0.23 -1.26 -5.01 115.26 109.93 3liy n ASN 48 Ca 0.12 -3.73 -0.42 0.00 -0.53 0.00 0.00 54.58 50.01 3liy n ASN 48 Cb 0.51 -0.44 -0.03 0.00 -2.08 0.00 0.00 39.78 37.74 3liy n ASN 48 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3liy s THR 49 N -5.18 4.80 -0.24 5.53 2.01 -1.07 -5.01 115.64 116.48 3liy s THR 49 Ca 0.49 2.01 -0.29 0.00 0.31 0.00 0.00 61.69 64.21 3liy s THR 49 Cb 0.41 -4.29 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 3liy s THR 49 CO -0.11 0.14 1.44 -2.84 -0.69 0.00 0.00 174.62 172.56 3liy s PRO 50 N 1.14 3.92 0.02 4.92 0.02 -1.26 -5.01 135.00 138.75 3liy s PRO 50 Ca 0.52 1.51 0.09 0.00 0.02 0.00 0.00 61.00 63.14 3liy s PRO 50 Cb -0.21 -3.93 -0.03 0.00 0.02 0.00 0.00 34.50 30.35 3liy s PRO 50 CO 0.27 -1.12 -0.26 -0.51 -0.33 0.00 0.00 177.00 175.05 3liy s LEU 51 N 4.58 2.13 0.23 -5.54 1.43 -1.26 -4.04 118.68 116.21 3liy s LEU 51 Ca 0.63 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 3liy s LEU 51 Cb -0.21 -1.27 -0.08 0.00 0.03 0.00 0.00 46.19 44.66 3liy s LEU 51 CO 0.25 0.27 0.59 -0.54 0.23 0.00 0.00 176.35 177.15 3liy s LYS 52 N -1.01 3.89 0.49 1.70 1.02 0.02 -4.86 119.74 120.99 3liy s LYS 52 Ca 0.11 0.41 -0.21 0.00 0.02 0.00 0.00 55.97 56.30 3liy s LYS 52 Cb -0.10 -2.67 -0.07 0.00 -0.52 0.00 0.00 37.83 34.47 3liy s LYS 52 CO 0.01 0.32 1.11 -0.80 -0.92 0.00 0.00 175.35 175.07 3liy s ASN 53 N -2.19 6.14 0.20 2.83 0.01 -1.26 -0.27 114.94 120.40 3liy s ASN 53 Ca 0.46 2.14 -0.19 0.00 -0.71 0.00 0.00 52.86 54.56 3liy s ASN 53 Cb -0.12 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.00 3liy s ASN 53 CO 0.20 -0.93 0.57 0.28 -1.51 0.00 0.00 177.10 175.71 3liy s THR 54 N -1.73 0.02 0.08 1.60 -1.32 -1.25 -4.73 115.64 108.30 3liy s THR 54 Ca 0.67 -0.60 0.05 0.00 -1.21 0.00 0.00 61.69 60.60 3liy s THR 54 Cb -0.23 -1.47 -0.04 0.00 -1.51 0.00 0.00 72.50 69.24 3liy s THR 54 CO 0.28 -0.08 -0.01 -0.44 -2.21 0.00 0.00 174.62 172.16 3liy s SER 55 N -2.84 4.98 -0.01 8.08 0.01 -1.26 -4.55 113.70 118.11 3liy s SER 55 Ca 0.07 -0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.16 3liy s SER 55 Cb -0.02 -1.18 0.01 0.00 0.21 0.00 0.00 66.02 65.04 3liy s SER 55 CO -0.04 0.19 -0.02 -0.69 0.41 0.00 0.00 173.24 173.09 3liy s VAL 56 N -1.27 0.19 -0.24 3.43 1.01 -0.51 -4.98 120.40 118.04 3liy s VAL 56 Ca 0.24 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 3liy s VAL 56 Cb -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 36.38 36.02 3liy s VAL 56 CO 0.17 0.08 0.25 -0.22 0.00 0.00 0.00 175.10 175.37 3liy s LEU 57 N 0.20 4.11 0.00 3.92 0.20 -1.26 -0.20 118.68 125.65 3liy s LEU 57 Ca -0.02 0.23 0.00 0.00 0.69 0.00 0.00 54.13 55.03 3liy s LEU 57 Cb -0.04 -2.25 0.00 0.00 -0.43 0.00 0.00 46.19 43.47 3liy s LEU 57 CO -0.01 -0.01 0.00 0.61 -0.29 0.00 0.00 176.35 176.66 3liy n GLY 58 N 4.29 5.48 0.16 7.98 0.00 -0.75 -5.00 105.19 117.35 3liy n GLY 58 Ca -0.12 -1.62 -0.06 0.00 0.00 0.00 0.00 46.02 44.22 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 1.00 0.21 -0.28 4.61 0.00 -2.03 -1.80 119.26 120.97 3liy h ALA 59 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3liy h ALA 59 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3liy h ALA 59 CO 0.00 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.19 3liy n GLY 60 N -1.28 2.03 0.00 0.00 0.00 -1.26 -5.02 105.19 99.66 3liy n GLY 60 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.37 -1.01 3.73 -0.02 0.00 -0.68 -5.00 105.19 102.59 3liy n GLY 61 Ca 0.13 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 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 4.65 -0.09 1.61 0.74 -1.26 -1.82 119.66 123.49 3liy s GLN 62 Ca 0.00 1.37 0.03 0.00 0.05 0.00 0.00 55.36 56.81 3liy s GLN 62 Cb 0.00 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.72 3liy s GLN 62 CO 0.00 0.21 -0.20 -0.08 -0.55 0.00 0.00 175.29 174.67 3liy s THR 63 N 0.07 2.48 -0.34 -0.34 -1.32 0.72 -4.96 115.64 111.93 3liy s THR 63 Ca 0.46 -0.89 0.22 0.00 -1.21 0.00 0.00 61.69 60.27 3liy s THR 63 Cb -0.23 -1.97 -0.22 0.00 -1.51 0.00 0.00 72.50 68.57 3liy s THR 63 CO 0.28 0.56 0.75 0.00 -2.21 0.00 0.00 174.62 174.00 3liy n GLN 64 N 3.23 0.47 -0.06 7.08 3.00 -1.26 -1.43 117.38 128.40 3liy n GLN 64 Ca -0.18 -0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.58 3liy n GLN 64 Cb 0.53 -1.58 -0.14 0.00 0.00 0.00 0.00 30.24 29.05 3liy n GLN 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3liy n ASP 65 N -2.13 1.37 0.11 1.08 8.00 -1.26 -4.60 116.55 119.11 3liy n ASP 65 Ca -0.01 0.13 -0.02 0.00 0.71 0.00 0.00 54.79 55.61 3liy n ASP 65 Cb 0.50 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 3liy n ASP 65 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3liy h HIS 66 N 0.02 0.00 -4.18 1.24 3.86 -1.91 -3.45 115.15 110.73 3liy h HIS 66 Ca -0.45 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.25 3liy h HIS 66 Cb 2.04 0.00 -0.27 0.00 1.06 0.00 0.00 27.41 30.24 3liy h HIS 66 CO 0.03 0.72 -0.82 -0.06 0.86 0.00 0.00 177.93 178.67 3liy s PHE 67 N -2.96 1.45 0.38 2.45 0.40 -1.26 0.09 117.98 118.52 3liy s PHE 67 Ca 0.02 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.12 3liy s PHE 67 Cb 0.09 -0.90 -0.06 0.00 0.51 0.00 0.00 43.02 42.67 3liy s PHE 67 CO 0.77 0.02 0.05 0.15 0.70 0.00 0.00 175.22 176.91 3liy s LYS 68 N -0.75 2.07 -0.10 0.44 -0.14 -0.41 -3.83 119.74 117.02 3liy s LYS 68 Ca 0.05 -1.88 -0.03 0.00 -1.36 0.00 0.00 55.97 52.76 3liy s LYS 68 Cb -0.07 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.19 3liy s LYS 68 CO 0.00 0.02 0.00 -0.51 -0.76 0.00 0.00 175.35 174.11 3liy s LEU 69 N -3.76 3.58 0.70 3.17 1.43 0.63 -0.40 118.68 124.04 3liy s LEU 69 Ca 0.36 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 3liy s LEU 69 Cb 0.04 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.45 3liy s LEU 69 CO 0.20 0.34 1.17 0.42 0.23 0.00 0.00 176.35 178.71 3liy s THR 70 N -0.66 2.67 -0.14 5.49 -4.23 -0.69 -0.80 115.64 117.28 3liy s THR 70 Ca 0.11 0.32 0.11 0.00 -1.18 0.00 0.00 61.69 61.05 3liy s THR 70 Cb -0.12 -2.87 -0.23 0.00 1.34 0.00 0.00 72.50 70.62 3liy s THR 70 CO 0.02 -0.18 0.29 -1.54 -0.54 0.00 0.00 174.62 172.67 3liy n SER 71 N -2.58 0.86 -4.88 3.99 3.41 -1.26 -4.65 113.62 108.51 3liy n SER 71 Ca 0.12 0.16 -0.27 0.00 -0.26 0.00 0.00 58.87 58.63 3liy n SER 71 Cb 0.51 0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 64.60 3liy n SER 71 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3liy s LEU 72 N -6.05 4.12 0.74 1.04 1.43 -1.26 -4.99 118.68 113.70 3liy s LEU 72 Ca -0.13 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 3liy s LEU 72 Cb 0.07 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.60 3liy s LEU 72 CO 0.79 0.07 0.99 -2.65 0.23 0.00 0.00 176.35 175.79 3liy n PRO 73 N -0.36 0.46 -4.70 1.29 -0.02 -1.20 -4.73 135.00 125.75 3liy n PRO 73 Ca -0.07 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.29 3liy n PRO 73 Cb 0.54 -2.25 -0.13 0.00 -0.02 0.00 0.00 33.50 31.64 3liy n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3liy s VAL 74 N -1.86 3.32 -0.10 -1.45 1.01 -0.43 -4.63 120.40 116.26 3liy s VAL 74 Ca 0.73 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3liy s VAL 74 Cb -0.34 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3liy s VAL 74 CO 0.50 0.54 0.06 -0.76 0.00 0.00 0.00 175.10 175.44 3liy s LEU 75 N 0.00 3.92 -0.07 3.92 1.02 -0.40 -1.32 118.68 125.75 3liy s LEU 75 Ca -0.02 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.40 3liy s LEU 75 Cb -0.14 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.17 3liy s LEU 75 CO 0.04 0.38 -0.06 -0.63 0.02 0.00 0.00 176.35 176.10 3liy s ILE 76 N -0.89 0.73 -0.16 -0.59 1.01 0.06 0.03 121.20 121.40 3liy s ILE 76 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.60 3liy s ILE 76 Cb -0.12 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3liy s ILE 76 CO 0.03 0.29 -0.09 -0.13 0.00 0.00 0.00 174.94 175.04 3liy s ARG 77 N 1.33 3.45 0.32 2.79 0.52 0.33 -0.29 118.95 127.39 3liy s ARG 77 Ca -0.04 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.53 3liy s ARG 77 Cb -0.14 -2.79 -0.04 0.00 0.52 0.00 0.00 34.95 32.51 3liy s ARG 77 CO -0.03 0.12 0.53 -0.51 0.02 0.00 0.00 175.30 175.44 3liy s LEU 78 N 0.63 4.04 0.03 2.53 1.43 -1.26 -0.82 118.68 125.26 3liy s LEU 78 Ca -0.05 0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.49 3liy s LEU 78 Cb -0.15 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 3liy s LEU 78 CO 0.03 -0.25 0.84 -2.65 0.23 0.00 0.00 176.35 174.55 3liy n PRO 79 N -1.49 -0.08 -1.36 1.29 -0.02 -1.26 -2.22 135.00 129.86 3liy n PRO 79 Ca -0.04 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 61.98 3liy n PRO 79 Cb 0.55 -1.25 0.10 0.00 -0.02 0.00 0.00 33.50 32.89 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 -3.30 3.00 -4.21 6.00 3.72 -1.26 -4.90 117.46 116.51 3liy n PHE 80 Ca 0.00 -2.60 -0.20 0.00 -0.05 0.00 0.00 57.45 54.60 3liy n PHE 80 Cb 0.05 -1.16 -0.16 0.00 -0.94 0.00 0.00 39.48 37.27 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 -3.66 0.85 0.20 -1.08 3.00 -0.94 -5.02 118.95 112.29 3liy s ARG 81 Ca 0.60 -0.15 0.16 0.00 0.00 0.00 0.00 55.73 56.35 3liy s ARG 81 Cb 0.49 -0.83 -0.01 0.00 0.00 0.00 0.00 34.95 34.60 3liy s ARG 81 CO 0.02 -0.04 1.19 1.79 0.00 0.00 0.00 175.30 178.26 3liy h THR 82 N 5.98 0.64 -3.09 0.02 1.35 -1.90 -3.40 112.91 112.51 3liy h THR 82 Ca -0.37 -2.02 -0.57 0.00 -0.55 0.00 0.00 66.41 62.90 3liy h THR 82 Cb 1.16 2.20 -0.05 0.00 -1.73 0.00 0.00 68.15 69.73 3liy h THR 82 CO 0.48 0.37 0.91 -0.89 -0.25 0.00 0.00 175.52 176.14 3liy s THR 83 N -2.98 4.29 0.43 6.82 2.01 -1.26 -5.00 115.64 119.96 3liy s THR 83 Ca 0.01 1.51 -0.21 0.00 0.31 0.00 0.00 61.69 63.31 3liy s THR 83 Cb 0.08 -4.17 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 3liy s THR 83 CO 0.77 -0.35 0.98 -2.16 -0.69 0.00 0.00 174.62 173.18 3liy s PRO 84 N 3.79 4.14 0.16 4.92 0.04 -1.26 -4.79 135.00 142.00 3liy s PRO 84 Ca 0.53 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 3liy s PRO 84 Cb -0.17 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.05 3liy s PRO 84 CO 0.18 -0.12 1.13 0.42 0.04 0.00 0.00 177.00 178.64 3liy s ILE 85 N -2.03 3.85 -0.17 0.56 1.01 0.60 -4.88 121.20 120.14 3liy s ILE 85 Ca 0.62 1.55 0.01 0.00 0.00 0.00 0.00 60.65 62.83 3liy s ILE 85 Cb -0.13 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3liy s ILE 85 CO 0.17 0.24 -0.18 -0.69 0.00 0.00 0.00 174.94 174.49 3liy s VAL 86 N -0.03 1.86 -0.17 2.92 1.01 -1.26 -0.76 120.40 123.96 3liy s VAL 86 Ca 0.51 -0.82 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 3liy s VAL 86 Cb -0.30 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 3liy s VAL 86 CO 0.34 0.51 0.00 -0.76 0.00 0.00 0.00 175.10 175.19 3liy s LEU 87 N 1.36 3.42 0.27 3.92 1.43 -0.43 -4.97 118.68 123.68 3liy s LEU 87 Ca 0.05 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3liy s LEU 87 Cb -0.13 -1.85 0.37 0.00 0.03 0.00 0.00 46.19 44.61 3liy s LEU 87 CO -0.12 0.15 1.80 0.74 0.23 0.00 0.00 176.35 179.15 3liy h THR 88 N 5.12 1.23 -3.34 5.49 2.02 -1.93 -1.15 112.91 120.35 3liy h THR 88 Ca -0.34 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 65.88 3liy h THR 88 Cb 1.18 0.73 -0.16 0.00 -1.74 0.00 0.00 68.15 68.16 3liy h THR 88 CO 0.64 0.32 -0.21 -0.94 0.37 0.00 0.00 175.52 175.70 3liy s SER 89 N -6.59 -0.14 0.16 4.18 1.04 -1.26 -3.23 113.70 107.86 3liy s SER 89 Ca -0.10 -0.24 -0.07 0.00 0.48 0.00 0.00 55.95 56.02 3liy s SER 89 Cb 0.15 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 3liy s SER 89 CO 0.81 -0.68 0.24 0.00 0.98 0.00 0.00 173.24 174.59 3liy s LEU 91 N -2.99 3.86 -0.14 0.00 1.43 -0.30 -1.70 118.68 118.84 3liy s LEU 91 Ca 0.19 1.58 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 3liy s LEU 91 Cb 0.04 -4.45 0.03 0.00 0.03 0.00 0.00 46.19 41.84 3liy s LEU 91 CO 0.01 -0.41 -0.09 -0.69 0.23 0.00 0.00 176.35 175.40 3liy s VAL 92 N -2.30 1.20 -0.43 -1.59 1.01 0.47 -1.27 120.40 117.50 3liy s VAL 92 Ca 0.60 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 3liy s VAL 92 Cb -0.09 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.07 3liy s VAL 92 CO 0.20 0.32 1.09 -0.62 0.00 0.00 0.00 175.10 176.09 3liy s ASP 93 N 1.62 6.71 0.21 3.32 2.15 0.04 -1.29 116.67 129.44 3liy s ASP 93 Ca 0.04 0.62 0.23 0.00 0.43 0.00 0.00 52.55 53.86 3liy s ASP 93 Cb -0.13 -2.54 0.91 0.00 -0.30 0.00 0.00 42.92 40.86 3liy s ASP 93 CO -0.09 -1.11 1.69 0.35 -0.17 0.00 0.00 175.17 175.84 3liy n THR 94 N 6.49 0.80 1.09 1.71 -2.24 0.11 -1.46 114.28 120.78 3liy n THR 94 Ca 0.11 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 3liy n THR 94 Cb 0.48 -1.04 0.20 0.00 -2.10 0.00 0.00 70.33 67.87 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 -2.11 0.50 -3.34 -0.78 4.01 -1.26 -4.89 118.16 110.29 3liy n LYS 95 Ca 0.03 -0.34 -0.24 0.00 -0.51 0.00 0.00 58.31 57.25 3liy n LYS 95 Cb 0.25 -1.49 0.03 0.00 -0.51 0.00 0.00 35.03 33.30 3liy n LYS 95 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3liy n ASN 96 N -0.96 -5.16 0.03 4.39 3.02 -0.98 -4.88 115.26 110.72 3liy n ASN 96 Ca 0.08 -0.43 0.01 0.00 -0.03 0.00 0.00 54.58 54.22 3liy n ASN 96 Cb 0.36 -4.17 -0.08 0.00 -0.61 0.00 0.00 39.78 35.27 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 -2.55 0.75 -4.04 6.41 5.03 -1.26 -4.99 115.26 114.61 3liy n ASN 97 Ca -0.04 0.32 -0.25 0.00 0.87 0.00 0.00 54.58 55.48 3liy n ASN 97 Cb 0.57 0.37 -0.16 0.00 -1.02 0.00 0.00 39.78 39.54 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 -2.98 1.49 -0.15 3.10 0.51 -1.26 -5.08 118.94 114.56 3liy s TRP 98 Ca -0.03 -0.53 -0.00 0.00 -2.12 0.00 0.00 56.10 53.41 3liy s TRP 98 Cb 0.09 -1.08 0.03 0.00 -0.81 0.00 0.00 33.47 31.70 3liy s TRP 98 CO 0.82 -0.26 -0.09 0.00 -0.51 0.00 0.00 176.95 176.91 3liy s ALA 99 N 0.57 1.59 -0.04 0.98 0.00 -1.26 -3.28 121.76 120.33 3liy s ALA 99 Ca -0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3liy s ALA 99 Cb -0.15 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.93 3liy s ALA 99 CO 0.04 -0.59 0.02 0.42 0.00 0.00 0.00 175.76 175.66 3liy s ILE 100 N 1.59 0.11 -0.36 0.00 1.01 0.13 -0.60 121.20 123.08 3liy s ILE 100 Ca 0.03 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 60.69 3liy s ILE 100 Cb -0.14 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 42.05 3liy s ILE 100 CO -0.09 0.19 0.71 -0.63 0.00 0.00 0.00 174.94 175.12 3liy s ILE 101 N 1.71 4.81 0.00 2.92 -1.09 0.32 -0.94 121.20 128.94 3liy s ILE 101 Ca -0.00 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3liy s ILE 101 Cb -0.13 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3liy s ILE 101 CO -0.03 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 173.92 3liy n GLY 102 N 4.59 2.49 0.23 6.18 0.00 -1.26 -1.75 105.19 115.67 3liy n GLY 102 Ca 0.01 -2.08 0.11 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.28 1.61 3.08 -1.35 -1.53 114.38 115.91 3liy h ARG 103 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3liy h ARG 103 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3liy h ARG 103 CO 0.00 0.19 0.07 0.38 -1.07 0.00 0.00 179.97 179.54 3liy h ASP 104 N 0.00 0.05 -0.06 7.04 2.03 -1.81 0.66 116.42 124.33 3liy h ASP 104 Ca -0.00 0.04 -0.22 0.00 -0.73 0.00 0.00 57.03 56.12 3liy h ASP 104 Cb 0.75 0.04 0.01 0.00 -0.83 0.00 0.00 39.33 39.31 3liy h ASP 104 CO 0.03 0.06 -0.82 0.00 -1.03 0.00 0.00 179.24 177.48 3liy h ALA 105 N 1.20 0.18 -0.35 4.15 0.00 -1.77 -3.13 119.26 119.54 3liy h ALA 105 Ca 0.13 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 3liy h ALA 105 Cb 0.12 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3liy h ALA 105 CO -0.16 0.59 -0.00 -0.07 0.00 0.00 0.00 179.25 179.61 3liy h LEU 106 N 0.32 0.51 -0.47 0.00 3.38 -1.19 -1.65 115.31 116.21 3liy h LEU 106 Ca -0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3liy h LEU 106 Cb 1.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3liy h LEU 106 CO 0.16 0.58 0.31 -0.61 0.09 0.00 0.00 178.44 178.97 3liy h GLN 107 N 0.52 0.61 -0.03 1.13 4.15 -0.87 0.22 115.11 120.84 3liy h GLN 107 Ca 0.11 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 3liy h GLN 107 Cb 0.34 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3liy h GLN 107 CO 0.01 0.41 -0.25 1.96 -1.93 0.00 0.00 178.83 179.02 3liy h GLN 108 N 0.63 0.04 -0.59 1.69 4.20 -1.26 -2.25 115.11 117.57 3liy h GLN 108 Ca 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3liy h GLN 108 Cb -0.07 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3liy h GLN 108 CO -0.04 0.30 0.02 0.00 -0.67 0.00 0.00 178.83 178.44 3liy n GLN 110 N 0.57 -4.46 -2.31 0.00 6.02 -0.78 -4.96 117.38 111.46 3liy n GLN 110 Ca 0.29 0.59 -0.39 0.00 -0.01 0.00 0.00 57.00 57.47 3liy n GLN 110 Cb 1.23 -5.40 -0.03 0.00 1.02 0.00 0.00 30.24 27.06 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 -2.96 2.96 0.12 1.08 0.00 0.70 -5.02 107.32 104.20 3liy s GLY 111 Ca 0.50 1.02 0.05 0.00 0.00 0.00 0.00 44.72 46.30 3liy s GLY 111 CO 0.62 1.59 -0.13 -1.34 0.00 0.00 0.00 173.10 173.85 3liy s VAL 112 N -1.27 1.25 0.09 1.40 -7.23 -1.26 -4.72 120.40 108.67 3liy s VAL 112 Ca 0.51 -1.74 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 3liy s VAL 112 Cb -0.33 -1.53 -0.07 0.00 0.56 0.00 0.00 36.38 35.01 3liy s VAL 112 CO 0.43 -0.47 0.54 -0.76 -0.31 0.00 0.00 175.10 174.53 3liy s LEU 113 N -2.53 4.45 -0.12 1.32 1.43 -1.26 -5.10 118.68 116.87 3liy s LEU 113 Ca 0.09 1.16 -0.00 0.00 -1.03 0.00 0.00 54.13 54.34 3liy s LEU 113 Cb -0.04 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.20 3liy s LEU 113 CO 0.02 0.21 -0.08 -0.47 0.23 0.00 0.00 176.35 176.27 3liy s TYR 114 N -1.24 1.55 -0.24 0.29 5.04 -1.26 -5.10 117.35 116.38 3liy s TYR 114 Ca 0.32 -0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 54.12 3liy s TYR 114 Cb -0.17 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 40.88 3liy s TYR 114 CO 0.18 -0.53 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.31 3liy s LEU 115 N 1.69 3.12 0.00 6.97 1.43 -1.26 -5.15 118.68 125.47 3liy s LEU 115 Ca 0.05 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3liy s LEU 115 Cb -0.13 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3liy s LEU 115 CO -0.08 -0.09 0.32 -2.65 0.23 0.00 0.00 176.35 174.07