#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 5.01 -0.32 0.52 1.01 -1.26 -5.06 120.40 120.29 3liy s VAL 2 Ca 0.00 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 63.43 3liy s VAL 2 Cb 0.00 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3liy s VAL 2 CO 0.00 0.19 0.05 -0.63 0.00 0.00 0.00 175.10 174.71 3liy s ILE 3 N 1.14 3.35 0.70 2.22 1.09 -1.26 -5.10 121.20 123.35 3liy s ILE 3 Ca 0.38 -1.28 -0.15 0.00 -1.10 0.00 0.00 60.65 58.50 3liy s ILE 3 Cb -0.18 -2.92 0.02 0.00 -1.06 0.00 0.00 42.46 38.33 3liy s ILE 3 CO 0.17 -0.15 1.17 -2.16 -0.10 0.00 0.00 174.94 173.88 3liy s PRO 4 N 1.32 2.38 -0.13 2.79 0.04 -1.26 -5.02 135.00 135.11 3liy s PRO 4 Ca -0.03 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.64 3liy s PRO 4 Cb -0.20 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3liy s PRO 4 CO 0.01 -1.62 -0.14 -0.51 0.04 0.00 0.00 177.00 174.78 3liy s LEU 5 N -5.03 2.67 -0.16 -3.56 1.43 -1.26 -4.88 118.68 107.90 3liy s LEU 5 Ca 0.72 -0.35 -0.08 0.00 -1.03 0.00 0.00 54.13 53.39 3liy s LEU 5 Cb -0.26 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.42 3liy s LEU 5 CO 0.44 0.16 0.37 -0.62 0.23 0.00 0.00 176.35 176.92 3liy s ASP 6 N 0.39 -0.31 0.52 2.29 -1.08 -1.26 -5.04 116.67 112.18 3liy s ASP 6 Ca -0.11 0.82 0.27 0.00 -0.52 0.00 0.00 52.55 53.01 3liy s ASP 6 Cb -0.16 0.84 1.43 0.00 -1.46 0.00 0.00 42.92 43.57 3liy s ASP 6 CO 0.05 -0.20 2.07 1.55 0.52 0.00 0.00 175.17 179.16 3liy h PRO 7 N 7.52 0.00 0.00 4.34 0.13 -2.02 -2.63 132.00 139.33 3liy h PRO 7 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3liy h PRO 7 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3liy h PRO 7 CO 0.25 0.12 -0.33 0.00 -0.23 0.00 0.00 178.00 177.81 3liy n ALA 8 N -2.30 2.88 -3.72 -0.56 0.00 -1.26 -4.70 120.51 110.85 3liy n ALA 8 Ca -0.02 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 52.94 3liy n ALA 8 Cb 0.23 -1.28 -0.17 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.06 0.57 0.42 0.00 0.52 -0.99 -5.13 118.95 111.29 3liy s ARG 9 Ca 0.10 -0.35 -0.26 0.00 -0.52 0.00 0.00 55.73 54.71 3liy s ARG 9 Cb 0.16 -2.02 -0.09 0.00 0.52 0.00 0.00 34.95 33.53 3liy s ARG 9 CO 0.65 -0.63 1.41 1.03 0.02 0.00 0.00 175.30 177.77 3liy s ARG 10 N 1.90 3.84 -0.72 3.54 0.52 -1.26 -4.33 118.95 122.44 3liy s ARG 10 Ca -0.00 2.38 -0.26 0.00 -0.52 0.00 0.00 55.73 57.33 3liy s ARG 10 Cb -0.17 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.59 3liy s ARG 10 CO -0.08 -0.68 1.23 -1.25 0.02 0.00 0.00 175.30 174.54 3liy s PRO 11 N -2.32 3.19 0.17 3.54 0.04 -1.26 -4.97 135.00 133.38 3liy s PRO 11 Ca 0.58 -0.31 0.11 0.00 0.04 0.00 0.00 61.00 61.42 3liy s PRO 11 Cb -0.43 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 29.89 3liy s PRO 11 CO 0.56 -2.09 -0.23 0.14 0.04 0.00 0.00 177.00 175.42 3liy s VAL 12 N 5.48 2.47 0.01 -0.36 -7.23 -1.26 -0.34 120.40 119.16 3liy s VAL 12 Ca 0.33 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3liy s VAL 12 Cb -0.09 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 3liy s VAL 12 CO 0.15 -0.03 -0.03 -0.51 -0.31 0.00 0.00 175.10 174.36 3liy s ILE 13 N -1.44 0.23 0.16 -0.62 2.07 -0.11 -4.93 121.20 116.56 3liy s ILE 13 Ca 0.19 -0.46 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 3liy s ILE 13 Cb -0.09 -0.27 -0.07 0.00 0.13 0.00 0.00 42.46 42.16 3liy s ILE 13 CO 0.09 -0.15 1.12 -0.54 -1.91 0.00 0.00 174.94 173.55 3liy s LYS 14 N -0.64 4.57 0.00 3.50 -0.14 -1.26 -0.30 119.74 125.47 3liy s LYS 14 Ca -0.05 1.73 0.01 0.00 -1.36 0.00 0.00 55.97 56.30 3liy s LYS 14 Cb -0.05 -3.29 -0.00 0.00 -1.68 0.00 0.00 37.83 32.81 3liy s LYS 14 CO -0.00 0.02 -0.02 0.00 -0.76 0.00 0.00 175.35 174.59 3liy s ALA 15 N -0.06 0.18 -0.27 5.17 0.00 0.33 -3.92 121.76 123.20 3liy s ALA 15 Ca 0.51 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.16 3liy s ALA 15 Cb -0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 3liy s ALA 15 CO 0.34 0.02 0.38 -1.14 0.00 0.00 0.00 175.76 175.36 3liy s GLN 16 N -0.24 4.02 -0.15 0.00 0.74 0.01 -0.49 119.66 123.54 3liy s GLN 16 Ca -0.01 0.06 -0.03 0.00 0.05 0.00 0.00 55.36 55.43 3liy s GLN 16 Cb -0.02 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 3liy s GLN 16 CO -0.00 -0.27 -0.05 0.08 -0.55 0.00 0.00 175.29 174.50 3liy s VAL 17 N 2.06 3.77 -0.32 1.34 1.01 0.15 -0.97 120.40 127.44 3liy s VAL 17 Ca 0.15 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3liy s VAL 17 Cb -0.16 -2.65 0.08 0.00 0.00 0.00 0.00 36.38 33.66 3liy s VAL 17 CO 0.10 0.50 0.02 -0.62 0.00 0.00 0.00 175.10 175.09 3liy s ASP 18 N 0.39 4.77 0.00 3.32 2.15 0.58 -1.35 116.67 126.53 3liy s ASP 18 Ca -0.05 -1.76 0.30 0.00 0.43 0.00 0.00 52.55 51.48 3liy s ASP 18 Cb -0.14 -1.65 1.54 0.00 -0.30 0.00 0.00 42.92 42.37 3liy s ASP 18 CO 0.03 -0.33 2.06 0.35 -0.17 0.00 0.00 175.17 177.11 3liy n THR 19 N 4.42 0.00 -1.19 1.71 -2.24 -1.26 -1.69 114.28 114.02 3liy n THR 19 Ca -0.05 -0.01 -0.07 0.00 -2.27 0.00 0.00 64.05 61.65 3liy n THR 19 Cb 0.42 -0.44 -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 -1.19 -0.81 -0.00 -0.78 6.02 -1.26 -4.83 117.38 114.53 3liy n GLN 20 Ca 0.16 0.64 0.01 0.00 -0.01 0.00 0.00 57.00 57.80 3liy n GLN 20 Cb 0.23 -4.51 -0.02 0.00 1.02 0.00 0.00 30.24 26.96 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 -2.63 0.00 -3.33 5.09 -2.24 -1.26 -5.07 114.28 104.84 3liy n THR 21 Ca -0.07 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3liy n THR 21 Cb 0.30 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.23 0.00 -4.78 3.42 3.41 -1.26 -4.98 113.62 108.20 3liy n SER 22 Ca 0.00 -0.85 -0.31 0.00 -0.26 0.00 0.00 58.87 57.45 3liy n SER 22 Cb 0.05 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.07 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 -5.10 2.72 0.49 7.33 0.00 -1.26 -4.70 115.29 114.78 3liy s HIS 23 Ca 0.00 1.52 -0.23 0.00 -3.00 0.00 0.00 55.06 53.35 3liy s HIS 23 Cb 0.00 -3.01 -0.06 0.00 -4.00 0.00 0.00 32.58 25.51 3liy s HIS 23 CO 0.00 -1.64 1.32 -2.14 -1.00 0.00 0.00 174.74 171.28 3liy s PRO 24 N -4.89 3.48 0.07 -0.38 0.02 -1.26 -4.82 135.00 127.22 3liy s PRO 24 Ca 0.61 2.15 0.06 0.00 0.02 0.00 0.00 61.00 63.83 3liy s PRO 24 Cb -0.16 -2.42 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 3liy s PRO 24 CO 0.55 -0.89 -0.16 0.15 -0.33 0.00 0.00 177.00 176.31 3liy s LYS 25 N -2.70 0.94 -0.09 5.54 1.02 -0.45 -4.91 119.74 119.09 3liy s LYS 25 Ca 0.66 -0.98 -0.24 0.00 0.02 0.00 0.00 55.97 55.44 3liy s LYS 25 Cb -0.38 -1.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.88 3liy s LYS 25 CO 0.46 0.24 0.72 0.99 -0.92 0.00 0.00 175.35 176.84 3liy s THR 26 N -1.16 5.02 0.26 2.17 2.01 -1.26 0.30 115.64 122.98 3liy s THR 26 Ca 0.01 1.47 0.07 0.00 0.31 0.00 0.00 61.69 63.55 3liy s THR 26 Cb -0.10 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 3liy s THR 26 CO 0.03 0.21 -0.08 0.27 -0.69 0.00 0.00 174.62 174.36 3liy s ILE 27 N 1.05 1.67 -0.32 1.82 -4.36 0.35 -4.97 121.20 116.45 3liy s ILE 27 Ca 0.38 -2.15 -0.10 0.00 -0.26 0.00 0.00 60.65 58.52 3liy s ILE 27 Cb -0.18 -2.36 -0.00 0.00 1.25 0.00 0.00 42.46 41.17 3liy s ILE 27 CO 0.17 -0.36 0.16 -0.70 0.24 0.00 0.00 174.94 174.45 3liy s GLU 28 N -3.71 3.27 -0.06 0.37 2.12 -1.26 -0.51 118.70 118.92 3liy s GLU 28 Ca 0.28 -0.77 0.01 0.00 0.36 0.00 0.00 54.97 54.86 3liy s GLU 28 Cb 0.03 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 3liy s GLU 28 CO 0.11 -0.45 -0.07 0.00 -0.54 0.00 0.00 175.26 174.31 3liy s ALA 29 N 1.60 3.00 -0.03 6.30 0.00 0.59 -4.67 121.76 128.56 3liy s ALA 29 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 3liy s ALA 29 Cb -0.17 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 3liy s ALA 29 CO 0.06 0.58 1.24 -1.17 0.00 0.00 0.00 175.76 176.47 3liy s LEU 30 N -0.93 4.30 -0.39 0.00 2.96 -0.05 -0.94 118.68 123.64 3liy s LEU 30 Ca 0.13 1.90 -0.28 0.00 -0.22 0.00 0.00 54.13 55.67 3liy s LEU 30 Cb -0.11 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3liy s LEU 30 CO 0.03 -0.60 1.03 -0.76 -1.32 0.00 0.00 176.35 174.73 3liy s LEU 31 N 2.09 3.88 -0.35 -0.68 1.43 0.53 -0.31 118.68 125.27 3liy s LEU 31 Ca 0.58 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3liy s LEU 31 Cb -0.27 -3.42 0.11 0.00 0.03 0.00 0.00 46.19 42.65 3liy s LEU 31 CO 0.24 -0.99 0.13 -0.62 0.23 0.00 0.00 176.35 175.34 3liy s ASP 32 N 2.00 4.04 0.27 2.29 2.15 -0.45 -4.78 116.67 122.19 3liy s ASP 32 Ca 0.43 -2.00 0.23 0.00 0.43 0.00 0.00 52.55 51.64 3liy s ASP 32 Cb -0.11 -1.03 1.02 0.00 -0.30 0.00 0.00 42.92 42.51 3liy s ASP 32 CO 0.22 -0.37 1.69 0.35 -0.17 0.00 0.00 175.17 176.89 3liy n THR 33 N 4.39 0.90 1.06 1.71 -2.24 -1.26 -1.90 114.28 116.94 3liy n THR 33 Ca 0.02 0.37 0.09 0.00 -2.27 0.00 0.00 64.05 62.26 3liy n THR 33 Cb 0.40 -1.32 0.31 0.00 -2.10 0.00 0.00 70.33 67.61 3liy n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3liy n GLY 34 N -0.37 0.48 3.48 3.38 0.00 -1.26 -4.81 105.19 106.10 3liy n GLY 34 Ca 0.01 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.69 3.25 0.31 4.61 0.00 -0.80 -4.96 121.76 122.48 3liy s ALA 35 Ca 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3liy s ALA 35 Cb 0.16 -2.17 0.51 0.00 0.00 0.00 0.00 23.12 21.62 3liy s ALA 35 CO 0.24 -0.49 1.94 -0.44 0.00 0.00 0.00 175.76 177.00 3liy h ASP 36 N 8.24 0.79 -4.56 0.00 3.32 -1.87 -0.60 116.42 121.73 3liy h ASP 36 Ca -0.38 -0.06 -0.32 0.00 0.02 0.00 0.00 57.03 56.29 3liy h ASP 36 Cb 1.18 -0.20 -0.20 0.00 0.22 0.00 0.00 39.33 40.33 3liy h ASP 36 CO 0.57 0.65 -0.74 -0.04 -1.72 0.00 0.00 179.24 177.95 3liy s MET 37 N -5.59 0.72 0.36 3.56 -1.94 -1.26 -3.48 119.30 111.67 3liy s MET 37 Ca -0.10 -0.96 -0.26 0.00 -1.71 0.00 0.00 55.69 52.66 3liy s MET 37 Cb 0.17 -0.51 -0.09 0.00 2.01 0.00 0.00 34.83 36.41 3liy s MET 37 CO 0.78 0.09 1.07 0.99 -0.01 0.00 0.00 175.02 177.95 3liy s THR 38 N -1.76 3.61 -0.09 2.05 2.01 -1.26 -4.35 115.64 115.86 3liy s THR 38 Ca -0.02 1.35 0.04 0.00 0.31 0.00 0.00 61.69 63.37 3liy s THR 38 Cb -0.07 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.68 3liy s THR 38 CO 0.01 0.12 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.15 3liy s VAL 39 N -1.49 1.87 0.17 3.82 1.01 0.23 -1.16 120.40 124.85 3liy s VAL 39 Ca 0.54 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3liy s VAL 39 Cb -0.26 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3liy s VAL 39 CO 0.32 0.52 -0.19 0.27 0.00 0.00 0.00 175.10 176.02 3liy s ILE 40 N 0.41 1.87 0.30 2.22 -4.36 -0.24 -0.46 121.20 120.94 3liy s ILE 40 Ca -0.18 -1.93 -0.29 0.00 -0.26 0.00 0.00 60.65 57.99 3liy s ILE 40 Cb -0.18 -1.87 -0.10 0.00 1.25 0.00 0.00 42.46 41.56 3liy s ILE 40 CO 0.08 -0.30 1.25 -2.84 0.24 0.00 0.00 174.94 173.36 3liy s PRO 41 N -2.80 4.44 0.54 0.37 0.02 -1.12 -0.54 135.00 135.92 3liy s PRO 41 Ca 0.16 2.08 0.25 0.00 0.02 0.00 0.00 61.00 63.51 3liy s PRO 41 Cb -0.06 -3.12 1.43 0.00 0.02 0.00 0.00 34.50 32.77 3liy s PRO 41 CO 0.07 -0.08 2.02 0.97 -0.33 0.00 0.00 177.00 179.65 3liy h ILE 42 N 3.13 0.70 0.00 2.83 6.09 -1.73 -2.33 117.51 126.21 3liy h ILE 42 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 3liy h ILE 42 Cb 1.22 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.28 3liy h ILE 42 CO 0.67 0.00 0.22 0.00 -3.07 0.00 0.00 178.15 175.97 3liy h ALA 43 N 1.75 1.21 0.00 0.18 0.00 -1.91 0.31 119.26 120.80 3liy h ALA 43 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3liy h ALA 43 Cb 0.84 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3liy h ALA 43 CO -0.00 -0.21 -0.47 -0.07 0.00 0.00 0.00 179.25 178.49 3liy h LEU 44 N 0.00 0.00 0.00 0.00 3.38 -1.81 -3.46 115.31 113.42 3liy h LEU 44 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3liy h LEU 44 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3liy h LEU 44 CO 0.00 0.47 -0.24 0.49 0.09 0.00 0.00 178.44 179.26 3liy n PHE 45 N -3.86 -0.79 -4.49 1.13 3.01 0.11 -4.81 117.46 107.76 3liy n PHE 45 Ca -0.01 -2.17 -0.24 0.00 1.01 0.00 0.00 57.45 56.04 3liy n PHE 45 Cb 0.51 -0.43 -0.10 0.00 -0.01 0.00 0.00 39.48 39.45 3liy n PHE 45 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3liy s SER 46 N -4.06 2.65 0.00 4.37 1.04 -1.26 -5.00 113.70 111.43 3liy s SER 46 Ca 0.32 -1.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.26 3liy s SER 46 Cb -0.03 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.11 3liy s SER 46 CO 0.20 -0.70 1.55 -1.54 0.98 0.00 0.00 173.24 173.73 3liy n SER 47 N -0.89 2.48 -0.16 7.02 3.41 -1.26 -2.61 113.62 121.61 3liy n SER 47 Ca -0.04 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 3liy n SER 47 Cb 0.66 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 3liy n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3liy n ASN 48 N 2.36 0.00 -4.26 4.04 4.05 -1.26 -5.08 115.26 115.11 3liy n ASN 48 Ca 0.12 -1.24 -0.32 0.00 0.45 0.00 0.00 54.58 53.58 3liy n ASN 48 Cb 0.35 -0.05 -0.16 0.00 1.23 0.00 0.00 39.78 41.15 3liy n ASN 48 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3liy s THR 49 N 0.00 2.43 -0.28 -0.44 2.01 -1.07 -5.10 115.64 113.19 3liy s THR 49 Ca 0.00 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.83 3liy s THR 49 Cb 0.00 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.54 3liy s THR 49 CO 0.00 0.54 1.19 -2.16 -0.69 0.00 0.00 174.62 173.50 3liy s PRO 50 N 0.48 4.05 -0.11 4.92 0.04 -1.26 -5.02 135.00 138.11 3liy s PRO 50 Ca -0.13 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.21 3liy s PRO 50 Cb -0.17 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.59 3liy s PRO 50 CO 0.05 -0.93 -0.24 -0.51 0.04 0.00 0.00 177.00 175.42 3liy s LEU 51 N 3.86 2.10 0.42 -3.56 1.43 -1.26 -4.10 118.68 117.56 3liy s LEU 51 Ca 0.51 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 3liy s LEU 51 Cb -0.16 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.56 3liy s LEU 51 CO 0.17 0.15 1.32 -0.54 0.23 0.00 0.00 176.35 177.68 3liy s LYS 52 N 0.41 3.86 0.54 1.70 1.02 -0.34 -4.73 119.74 122.21 3liy s LYS 52 Ca -0.17 2.18 -0.19 0.00 0.02 0.00 0.00 55.97 57.80 3liy s LYS 52 Cb -0.18 -2.69 -0.06 0.00 -0.52 0.00 0.00 37.83 34.38 3liy s LYS 52 CO 0.07 -0.59 1.11 -0.80 -0.92 0.00 0.00 175.35 174.22 3liy s ASN 53 N -0.75 5.83 0.21 2.83 0.01 -1.26 -0.01 114.94 121.80 3liy s ASN 53 Ca 0.59 2.11 -0.22 0.00 -0.71 0.00 0.00 52.86 54.62 3liy s ASN 53 Cb -0.38 -2.57 0.05 0.00 0.41 0.00 0.00 41.25 38.75 3liy s ASN 53 CO 0.49 -1.14 0.68 0.28 -1.51 0.00 0.00 177.10 175.90 3liy s THR 54 N -1.86 0.00 -0.05 1.60 -1.32 -1.24 -4.77 115.64 108.00 3liy s THR 54 Ca 0.71 -0.52 -0.02 0.00 -1.21 0.00 0.00 61.69 60.65 3liy s THR 54 Cb -0.22 -1.53 -0.04 0.00 -1.51 0.00 0.00 72.50 69.20 3liy s THR 54 CO 0.26 0.00 0.06 -0.44 -2.21 0.00 0.00 174.62 172.29 3liy s SER 55 N -2.83 5.62 -0.04 8.08 0.01 -1.26 -4.41 113.70 118.87 3liy s SER 55 Ca 0.06 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.54 3liy s SER 55 Cb -0.04 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.57 3liy s SER 55 CO -0.02 0.33 -0.08 -0.69 0.41 0.00 0.00 173.24 173.18 3liy s VAL 56 N -1.06 0.77 -0.21 3.43 1.01 0.62 -4.97 120.40 119.99 3liy s VAL 56 Ca 0.18 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3liy s VAL 56 Cb -0.12 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 3liy s VAL 56 CO 0.08 0.26 0.26 -0.22 0.00 0.00 0.00 175.10 175.48 3liy s LEU 57 N 0.44 4.15 0.00 3.92 2.96 -1.26 0.45 118.68 129.35 3liy s LEU 57 Ca -0.07 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3liy s LEU 57 Cb -0.11 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.29 3liy s LEU 57 CO 0.01 0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 3liy n GLY 58 N 3.97 4.90 0.28 7.98 0.00 -1.18 -4.94 105.19 116.20 3liy n GLY 58 Ca -0.12 -1.61 -0.07 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 0.81 0.00 4.61 0.00 -2.03 -2.64 119.26 121.01 3liy h ALA 59 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3liy h ALA 59 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3liy h ALA 59 CO 0.00 0.45 -0.10 0.78 0.00 0.00 0.00 179.25 180.38 3liy h GLY 60 N 0.88 0.00 0.00 0.00 0.00 -2.00 -3.49 103.07 98.47 3liy h GLY 60 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3liy h GLY 60 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 3liy n GLY 61 N -0.18 1.87 3.70 4.60 0.00 -1.00 -5.03 105.19 109.15 3liy n GLY 61 Ca -0.00 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.54 4.19 -0.08 1.61 -0.44 -1.26 -3.10 119.66 119.04 3liy s GLN 62 Ca 0.00 2.41 0.02 0.00 -2.50 0.00 0.00 55.36 55.29 3liy s GLN 62 Cb 0.00 -3.42 0.02 0.00 -1.64 0.00 0.00 33.01 27.97 3liy s GLN 62 CO 0.00 -0.72 -0.11 -0.08 0.50 0.00 0.00 175.29 174.88 3liy s THR 63 N 2.09 1.10 -2.70 -0.34 -1.32 0.17 -4.96 115.64 109.67 3liy s THR 63 Ca 0.74 -0.43 0.24 0.00 -1.21 0.00 0.00 61.69 61.03 3liy s THR 63 Cb -0.43 -1.03 0.33 0.00 -1.51 0.00 0.00 72.50 69.86 3liy s THR 63 CO 0.33 0.35 1.36 0.00 -2.21 0.00 0.00 174.62 174.45 3liy n GLN 64 N 4.06 2.39 -0.10 7.08 6.02 -1.26 -0.27 117.38 135.30 3liy n GLN 64 Ca -0.21 -2.07 -0.15 0.00 -0.01 0.00 0.00 57.00 54.56 3liy n GLN 64 Cb 0.51 -1.49 -0.09 0.00 1.02 0.00 0.00 30.24 30.19 3liy n GLN 64 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3liy n ASP 65 N 1.37 2.31 -0.04 1.08 2.03 -1.26 -4.56 116.55 117.47 3liy n ASP 65 Ca 0.17 -0.06 -0.17 0.00 0.52 0.00 0.00 54.79 55.26 3liy n ASP 65 Cb 0.59 -0.36 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 3liy n ASP 65 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3liy h HIS 66 N -0.11 1.08 -3.48 -0.67 3.86 -1.90 -3.46 115.15 110.48 3liy h HIS 66 Ca -0.46 -0.45 -0.68 0.00 -1.16 0.00 0.00 60.37 57.61 3liy h HIS 66 Cb 1.66 -0.18 -0.17 0.00 1.06 0.00 0.00 27.41 29.79 3liy h HIS 66 CO 0.01 1.29 -0.66 -0.06 0.86 0.00 0.00 177.93 179.37 3liy s PHE 67 N -3.85 3.06 0.50 2.45 0.40 -1.26 -1.64 117.98 117.64 3liy s PHE 67 Ca -0.10 0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 3liy s PHE 67 Cb 0.09 -1.76 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 3liy s PHE 67 CO 0.90 0.40 0.19 0.15 0.70 0.00 0.00 175.22 177.56 3liy s LYS 68 N -0.83 2.22 -0.05 0.44 -0.14 -0.33 -3.69 119.74 117.35 3liy s LYS 68 Ca 0.13 -2.13 0.04 0.00 -1.36 0.00 0.00 55.97 52.65 3liy s LYS 68 Cb -0.11 -1.84 -0.00 0.00 -1.68 0.00 0.00 37.83 34.19 3liy s LYS 68 CO 0.02 -0.39 -0.18 -1.17 -0.76 0.00 0.00 175.35 172.86 3liy s LEU 69 N -4.03 1.93 0.62 3.17 2.96 0.98 0.25 118.68 124.57 3liy s LEU 69 Ca 0.25 -0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 53.60 3liy s LEU 69 Cb 0.01 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 3liy s LEU 69 CO 0.14 0.16 1.16 0.42 -1.32 0.00 0.00 176.35 176.91 3liy s THR 70 N 0.06 2.90 -0.10 3.68 -4.23 -0.33 -1.19 115.64 116.43 3liy s THR 70 Ca -0.05 0.49 0.06 0.00 -1.18 0.00 0.00 61.69 61.01 3liy s THR 70 Cb -0.12 -3.10 -0.24 0.00 1.34 0.00 0.00 72.50 70.37 3liy s THR 70 CO 0.03 -0.18 0.45 -1.54 -0.54 0.00 0.00 174.62 172.84 3liy n SER 71 N -1.95 1.30 -4.89 3.99 3.41 -1.26 -4.63 113.62 109.60 3liy n SER 71 Ca 0.12 0.27 -0.32 0.00 -0.26 0.00 0.00 58.87 58.68 3liy n SER 71 Cb 0.51 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 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 -6.39 4.28 0.78 1.04 2.01 -1.26 -4.96 118.68 114.17 3liy s LEU 72 Ca -0.13 0.66 -0.15 0.00 0.01 0.00 0.00 54.13 54.52 3liy s LEU 72 Cb 0.07 -3.24 -0.01 0.00 0.01 0.00 0.00 46.19 43.02 3liy s LEU 72 CO 0.79 0.08 0.58 -2.65 1.01 0.00 0.00 176.35 176.16 3liy n PRO 73 N 0.29 0.17 -4.86 1.29 -0.02 -1.17 -4.72 135.00 125.98 3liy n PRO 73 Ca -0.04 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.22 3liy n PRO 73 Cb 0.52 -1.91 -0.14 0.00 -0.02 0.00 0.00 33.50 31.95 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 -2.03 2.94 -0.15 -1.45 1.01 -0.28 -4.66 120.40 115.78 3liy s VAL 74 Ca 0.65 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 3liy s VAL 74 Cb -0.31 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3liy s VAL 74 CO 0.59 0.54 0.12 -0.76 0.00 0.00 0.00 175.10 175.60 3liy s LEU 75 N 0.08 4.24 -0.06 3.92 2.01 -0.68 -0.72 118.68 127.46 3liy s LEU 75 Ca -0.06 0.35 -0.01 0.00 0.01 0.00 0.00 54.13 54.42 3liy s LEU 75 Cb -0.15 -2.05 0.03 0.00 0.01 0.00 0.00 46.19 44.03 3liy s LEU 75 CO 0.05 0.32 -0.02 -0.63 1.01 0.00 0.00 176.35 177.08 3liy s ILE 76 N -0.49 0.45 -0.17 -0.59 1.01 0.05 -0.31 121.20 121.15 3liy s ILE 76 Ca 0.12 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 3liy s ILE 76 Cb -0.12 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 3liy s ILE 76 CO 0.02 0.25 -0.02 -0.13 0.00 0.00 0.00 174.94 175.06 3liy s ARG 77 N 1.62 3.67 0.24 2.79 0.52 -0.14 -0.34 118.95 127.30 3liy s ARG 77 Ca -0.00 -0.51 -0.00 0.00 -0.52 0.00 0.00 55.73 54.69 3liy s ARG 77 Cb -0.13 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 3liy s ARG 77 CO -0.04 0.18 0.43 -0.51 0.02 0.00 0.00 175.30 175.38 3liy s LEU 78 N 0.53 4.18 0.00 2.53 1.43 -1.26 -0.81 118.68 125.28 3liy s LEU 78 Ca -0.02 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3liy s LEU 78 Cb -0.14 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.88 3liy s LEU 78 CO 0.02 -0.10 0.44 -2.65 0.23 0.00 0.00 176.35 174.30 3liy n PRO 79 N -0.93 0.00 -1.16 1.29 -0.02 -1.25 -2.13 135.00 130.80 3liy n PRO 79 Ca -0.05 0.44 -0.20 0.00 -2.02 0.00 0.00 63.50 61.67 3liy n PRO 79 Cb 0.54 -0.78 0.17 0.00 -0.02 0.00 0.00 33.50 33.41 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 -1.40 2.57 -5.02 6.00 3.01 -1.26 -4.90 117.46 116.46 3liy n PHE 80 Ca 0.00 -1.95 -0.32 0.00 1.01 0.00 0.00 57.45 56.19 3liy n PHE 80 Cb 0.00 -0.88 -0.17 0.00 -0.01 0.00 0.00 39.48 38.43 3liy n PHE 80 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3liy s ARG 81 N -3.36 3.09 0.01 -1.08 0.52 -0.91 -5.04 118.95 112.18 3liy s ARG 81 Ca 0.55 -0.85 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3liy s ARG 81 Cb 0.46 -2.38 -0.27 0.00 0.52 0.00 0.00 34.95 33.28 3liy s ARG 81 CO 0.06 0.13 0.90 0.00 0.02 0.00 0.00 175.30 176.42 3liy h THR 82 N 5.70 1.20 -3.38 0.02 1.03 -1.90 -3.38 112.91 112.20 3liy h THR 82 Ca -0.23 -2.85 -0.55 0.00 -0.01 0.00 0.00 66.41 62.77 3liy h THR 82 Cb 1.22 2.77 -0.05 0.00 -1.07 0.00 0.00 68.15 71.03 3liy h THR 82 CO 0.50 0.82 0.10 0.42 -0.01 0.00 0.00 175.52 177.35 3liy s THR 83 N -2.62 4.88 0.57 0.00 -4.23 -1.26 -5.03 115.64 107.94 3liy s THR 83 Ca -0.08 1.49 -0.17 0.00 -1.18 0.00 0.00 61.69 61.75 3liy s THR 83 Cb 0.07 -4.05 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 3liy s THR 83 CO 0.85 0.34 1.08 -2.16 -0.54 0.00 0.00 174.62 174.19 3liy s PRO 84 N 0.21 3.32 0.17 3.99 0.04 -1.26 -4.81 135.00 136.67 3liy s PRO 84 Ca 0.37 1.37 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3liy s PRO 84 Cb -0.19 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 3liy s PRO 84 CO 0.20 -0.83 1.07 0.42 0.04 0.00 0.00 177.00 177.90 3liy s ILE 85 N -2.17 3.96 -0.21 0.56 1.01 0.54 -4.89 121.20 120.00 3liy s ILE 85 Ca 0.67 1.71 0.02 0.00 0.00 0.00 0.00 60.65 63.05 3liy s ILE 85 Cb -0.19 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.23 3liy s ILE 85 CO 0.32 0.30 -0.14 -0.69 0.00 0.00 0.00 174.94 174.73 3liy s VAL 86 N -0.29 1.97 -0.22 2.92 1.01 -1.26 -0.77 120.40 123.76 3liy s VAL 86 Ca 0.48 -1.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 3liy s VAL 86 Cb -0.28 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3liy s VAL 86 CO 0.34 0.24 0.23 -0.76 0.00 0.00 0.00 175.10 175.15 3liy s LEU 87 N 1.26 4.15 0.26 3.92 1.43 0.10 -4.95 118.68 124.86 3liy s LEU 87 Ca -0.02 0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 3liy s LEU 87 Cb -0.16 -2.23 0.36 0.00 0.03 0.00 0.00 46.19 44.18 3liy s LEU 87 CO -0.09 0.05 1.90 0.74 0.23 0.00 0.00 176.35 179.18 3liy h THR 88 N 4.93 1.15 -3.88 5.49 2.02 -1.94 -0.74 112.91 119.95 3liy h THR 88 Ca -0.38 -0.43 -0.10 0.00 0.77 0.00 0.00 66.41 66.27 3liy h THR 88 Cb 1.16 -0.21 -0.13 0.00 -1.74 0.00 0.00 68.15 67.24 3liy h THR 88 CO 0.70 0.23 -0.35 -0.94 0.37 0.00 0.00 175.52 175.52 3liy s SER 89 N -5.98 0.08 0.23 4.18 1.04 -1.26 -3.05 113.70 108.95 3liy s SER 89 Ca -0.13 -0.79 -0.10 0.00 0.48 0.00 0.00 55.95 55.41 3liy s SER 89 Cb 0.19 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3liy s SER 89 CO 0.82 -0.82 0.39 0.00 0.98 0.00 0.00 173.24 174.61 3liy s LEU 91 N -3.04 3.85 -0.16 0.00 1.43 -0.31 -1.19 118.68 119.27 3liy s LEU 91 Ca 0.25 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.29 3liy s LEU 91 Cb 0.01 -4.55 0.03 0.00 0.03 0.00 0.00 46.19 41.72 3liy s LEU 91 CO 0.09 -0.78 -0.09 -0.69 0.23 0.00 0.00 176.35 175.11 3liy s VAL 92 N -1.97 1.33 -0.51 -1.59 1.01 0.14 -1.07 120.40 117.74 3liy s VAL 92 Ca 0.67 -0.65 -0.24 0.00 0.00 0.00 0.00 61.98 61.76 3liy s VAL 92 Cb -0.17 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.86 3liy s VAL 92 CO 0.20 0.26 0.89 -0.62 0.00 0.00 0.00 175.10 175.83 3liy s ASP 93 N 1.56 6.39 0.00 3.32 2.15 0.30 -1.19 116.67 129.20 3liy s ASP 93 Ca 0.02 -0.22 0.27 0.00 0.43 0.00 0.00 52.55 53.06 3liy s ASP 93 Cb -0.14 -2.42 0.93 0.00 -0.30 0.00 0.00 42.92 40.98 3liy s ASP 93 CO -0.09 -1.10 1.68 0.35 -0.17 0.00 0.00 175.17 175.84 3liy n THR 94 N 6.21 0.00 -0.05 1.71 -2.24 -0.65 -1.99 114.28 117.27 3liy n THR 94 Ca 0.02 -0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.65 3liy n THR 94 Cb 0.48 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.86 3liy n THR 94 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3liy n LYS 95 N -0.85 0.37 -0.11 -0.78 4.81 -1.26 -4.78 118.16 115.56 3liy n LYS 95 Ca 0.12 0.15 0.12 0.00 -0.87 0.00 0.00 58.31 57.83 3liy n LYS 95 Cb 0.32 -1.14 0.20 0.00 0.02 0.00 0.00 35.03 34.43 3liy n LYS 95 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3liy n ASN 96 N -4.16 3.07 -3.44 3.14 3.02 -1.26 -4.96 115.26 110.68 3liy n ASN 96 Ca -0.10 -1.95 -0.22 0.00 -0.03 0.00 0.00 54.58 52.28 3liy n ASN 96 Cb 0.36 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.36 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 1.29 -2.25 -4.95 6.41 3.02 -1.23 -4.92 115.26 112.63 3liy n ASN 97 Ca 0.17 -0.36 -0.23 0.00 -0.03 0.00 0.00 54.58 54.13 3liy n ASN 97 Cb 0.57 -1.95 0.04 0.00 -0.61 0.00 0.00 39.78 37.83 3liy n ASN 97 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 3liy s TRP 98 N -2.73 3.00 -0.10 3.10 -2.14 -1.26 -4.45 118.94 114.36 3liy s TRP 98 Ca 0.40 0.22 -0.03 0.00 2.66 0.00 0.00 56.10 59.35 3liy s TRP 98 Cb -0.23 -2.74 0.04 0.00 -3.10 0.00 0.00 33.47 27.44 3liy s TRP 98 CO 0.49 -0.86 0.04 0.00 -2.66 0.00 0.00 176.95 173.96 3liy s ALA 99 N -2.84 0.55 -0.08 2.67 0.00 -1.26 -2.77 121.76 118.03 3liy s ALA 99 Ca 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.33 3liy s ALA 99 Cb -0.10 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.22 3liy s ALA 99 CO 0.40 -0.73 0.05 0.42 0.00 0.00 0.00 175.76 175.90 3liy s ILE 100 N 2.05 0.07 -0.38 0.00 1.01 0.39 -0.87 121.20 123.47 3liy s ILE 100 Ca 0.03 0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.63 3liy s ILE 100 Cb -0.14 -0.37 0.02 0.00 0.01 0.00 0.00 42.46 41.98 3liy s ILE 100 CO -0.06 0.12 0.92 -0.63 0.00 0.00 0.00 174.94 175.29 3liy s ILE 101 N 2.09 4.57 0.11 2.92 1.01 0.58 -0.60 121.20 131.88 3liy s ILE 101 Ca 0.04 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.83 3liy s ILE 101 Cb -0.13 -4.34 0.02 0.00 0.01 0.00 0.00 42.46 38.02 3liy s ILE 101 CO -0.05 -0.57 0.15 0.61 0.00 0.00 0.00 174.94 175.08 3liy n GLY 102 N 4.46 2.00 0.24 6.18 0.00 -1.26 -1.34 105.19 115.47 3liy n GLY 102 Ca 0.07 -2.15 0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.39 1.61 3.08 -1.25 -1.21 114.38 116.22 3liy h ARG 103 Ca -0.05 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.05 3liy h ARG 103 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 3liy h ARG 103 CO 0.08 0.19 0.09 0.38 -1.07 0.00 0.00 179.97 179.64 3liy h ASP 104 N 0.00 0.04 -0.14 7.04 2.03 -1.80 0.11 116.42 123.70 3liy h ASP 104 Ca -0.00 0.06 -0.14 0.00 -0.73 0.00 0.00 57.03 56.22 3liy h ASP 104 Cb 0.48 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 3liy h ASP 104 CO 0.03 0.06 -0.45 0.00 -1.03 0.00 0.00 179.24 177.84 3liy h ALA 105 N 1.29 0.24 -0.50 4.15 0.00 -1.78 -3.23 119.26 119.42 3liy h ALA 105 Ca 0.19 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3liy h ALA 105 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3liy h ALA 105 CO -0.23 0.39 0.19 -0.07 0.00 0.00 0.00 179.25 179.52 3liy h LEU 106 N 0.18 0.65 -0.69 0.00 3.38 -1.12 -1.76 115.31 115.95 3liy h LEU 106 Ca -0.02 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3liy h LEU 106 Cb 1.08 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 3liy h LEU 106 CO 0.10 0.60 0.43 -0.61 0.09 0.00 0.00 178.44 179.04 3liy h GLN 107 N 0.71 0.81 -0.09 1.13 4.15 -0.84 0.71 115.11 121.69 3liy h GLN 107 Ca 0.17 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.46 3liy h GLN 107 Cb 0.16 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3liy h GLN 107 CO -0.01 0.53 -0.32 1.96 -1.93 0.00 0.00 178.83 179.06 3liy h GLN 108 N 0.83 0.17 -0.63 1.69 4.20 -1.35 -2.19 115.11 117.83 3liy h GLN 108 Ca 0.28 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3liy h GLN 108 Cb 0.04 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3liy h GLN 108 CO -0.12 0.48 0.00 0.00 -0.67 0.00 0.00 178.83 178.52 3liy n GLN 110 N 0.79 -6.13 -2.14 0.00 6.02 -0.75 -4.98 117.38 110.19 3liy n GLN 110 Ca 0.26 0.79 -0.40 0.00 -0.01 0.00 0.00 57.00 57.63 3liy n GLN 110 Cb 1.04 -5.73 -0.02 0.00 1.02 0.00 0.00 30.24 26.55 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 -3.05 2.99 0.12 1.08 0.00 0.17 -5.03 107.32 103.61 3liy s GLY 111 Ca 0.49 1.23 0.05 0.00 0.00 0.00 0.00 44.72 46.49 3liy s GLY 111 CO 0.60 1.86 -0.12 -1.34 0.00 0.00 0.00 173.10 174.11 3liy s VAL 112 N -1.16 1.20 0.09 1.40 -7.23 -1.26 -4.74 120.40 108.70 3liy s VAL 112 Ca 0.50 -1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 3liy s VAL 112 Cb -0.39 -1.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 3liy s VAL 112 CO 0.51 -0.54 0.60 -0.76 -0.31 0.00 0.00 175.10 174.61 3liy s LEU 113 N -2.65 4.53 -0.14 1.32 1.43 -1.26 -5.09 118.68 116.83 3liy s LEU 113 Ca 0.10 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3liy s LEU 113 Cb -0.02 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.25 3liy s LEU 113 CO 0.02 0.26 -0.09 -0.47 0.23 0.00 0.00 176.35 176.30 3liy s TYR 114 N -1.13 1.81 -0.27 0.29 5.04 -1.26 -5.10 117.35 116.74 3liy s TYR 114 Ca 0.30 -1.03 -0.03 0.00 -2.44 0.00 0.00 57.07 53.87 3liy s TYR 114 Cb -0.20 -1.39 0.03 0.00 0.35 0.00 0.00 41.96 40.74 3liy s TYR 114 CO 0.20 -0.60 -0.02 -0.51 -1.34 0.00 0.00 175.55 173.28 3liy s LEU 115 N 1.60 3.45 0.00 6.97 1.43 -1.26 -5.15 118.68 125.71 3liy s LEU 115 Ca 0.03 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 3liy s LEU 115 Cb -0.14 -1.72 0.00 0.00 0.03 0.00 0.00 46.19 44.37 3liy s LEU 115 CO -0.09 -0.16 0.30 -2.65 0.23 0.00 0.00 176.35 173.97