#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lix s VAL 2 N 0.00 4.43 -0.34 -1.45 1.01 -1.26 -5.02 120.40 117.76 3lix s VAL 2 Ca 0.00 1.73 -0.08 0.00 0.00 0.00 0.00 61.98 63.63 3lix s VAL 2 Cb 0.00 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3lix s VAL 2 CO 0.00 -0.06 0.14 -0.63 0.00 0.00 0.00 175.10 174.55 3lix s ILE 3 N 2.64 4.11 0.78 2.22 1.09 -1.26 -5.10 121.20 125.68 3lix s ILE 3 Ca 0.52 -0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 59.02 3lix s ILE 3 Cb -0.21 -3.28 0.06 0.00 -1.06 0.00 0.00 42.46 37.97 3lix s ILE 3 CO 0.17 -0.15 1.09 -2.16 -0.10 0.00 0.00 174.94 173.79 3lix s PRO 4 N 1.48 2.22 -0.15 2.79 0.04 -1.26 -5.03 135.00 135.08 3lix s PRO 4 Ca 0.00 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.24 3lix s PRO 4 Cb -0.19 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.47 3lix s PRO 4 CO 0.04 -1.67 -0.21 -0.51 0.04 0.00 0.00 177.00 174.69 3lix s LEU 5 N -5.94 2.15 -0.04 -3.56 1.43 -1.26 -4.94 118.68 106.53 3lix s LEU 5 Ca 0.61 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3lix s LEU 5 Cb -0.17 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.59 3lix s LEU 5 CO 0.56 0.06 -0.10 -0.62 0.23 0.00 0.00 176.35 176.48 3lix s ASP 6 N 0.96 1.39 0.32 2.29 2.15 -1.26 -5.04 116.67 117.48 3lix s ASP 6 Ca -0.03 -0.22 0.07 0.00 0.43 0.00 0.00 52.55 52.80 3lix s ASP 6 Cb -0.15 -0.46 0.54 0.00 -0.30 0.00 0.00 42.92 42.55 3lix s ASP 6 CO -0.05 0.06 1.76 1.55 -0.17 0.00 0.00 175.17 178.32 3lix h PRO 7 N 6.57 0.26 0.00 4.34 0.13 -2.03 -2.74 132.00 138.53 3lix h PRO 7 Ca -0.33 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3lix h PRO 7 Cb 1.17 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3lix h PRO 7 CO 0.48 0.56 0.00 0.00 -0.23 0.00 0.00 178.00 178.81 3lix n ALA 8 N -2.48 2.42 -3.24 -0.56 0.00 -1.26 -4.64 120.51 110.75 3lix n ALA 8 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.37 3lix n ALA 8 Cb 0.42 -1.07 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 3lix n ALA 8 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lix s ARG 9 N -2.00 0.60 0.08 0.00 3.52 -1.03 -5.13 118.95 114.99 3lix s ARG 9 Ca 0.06 0.01 -0.34 0.00 -0.13 0.00 0.00 55.73 55.33 3lix s ARG 9 Cb 0.03 -0.09 -0.13 0.00 -1.56 0.00 0.00 34.95 33.20 3lix s ARG 9 CO 0.05 -1.11 1.69 0.54 -0.81 0.00 0.00 175.30 175.67 3lix n ARG 10 N 4.96 2.20 -2.11 5.12 1.74 -1.26 -4.35 116.66 122.95 3lix n ARG 10 Ca 0.06 0.80 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 3lix n ARG 10 Cb 0.52 -2.60 -0.04 0.00 -1.02 0.00 0.00 32.46 29.33 3lix n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3lix s PRO 11 N 2.06 2.70 0.23 5.56 0.04 -1.26 -4.95 135.00 139.37 3lix s PRO 11 Ca 0.84 0.17 0.07 0.00 0.04 0.00 0.00 61.00 62.11 3lix s PRO 11 Cb -0.67 -4.63 -0.04 0.00 0.04 0.00 0.00 34.50 29.20 3lix s PRO 11 CO 0.42 -2.86 0.16 0.14 0.04 0.00 0.00 177.00 174.90 3lix s VAL 12 N 8.91 4.35 -0.03 -0.36 -7.23 -1.26 -0.54 120.40 124.24 3lix s VAL 12 Ca 0.64 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 59.34 3lix s VAL 12 Cb -0.10 -3.31 0.02 0.00 0.56 0.00 0.00 36.38 33.55 3lix s VAL 12 CO 0.12 -0.28 0.24 -0.51 -0.31 0.00 0.00 175.10 174.36 3lix s ILE 13 N -2.03 0.06 -0.32 -0.62 2.07 0.53 -4.89 121.20 116.00 3lix s ILE 13 Ca 0.32 -0.46 -0.29 0.00 -1.41 0.00 0.00 60.65 58.81 3lix s ILE 13 Cb -0.08 -0.51 0.01 0.00 0.13 0.00 0.00 42.46 42.01 3lix s ILE 13 CO 0.24 -0.25 1.16 -0.54 -1.91 0.00 0.00 174.94 173.63 3lix s LYS 14 N -1.06 4.01 0.06 3.50 1.02 -1.26 -0.64 119.74 125.36 3lix s LYS 14 Ca -0.11 1.12 0.09 0.00 0.02 0.00 0.00 55.97 57.09 3lix s LYS 14 Cb -0.05 -3.79 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3lix s LYS 14 CO 0.03 -0.99 -0.25 0.00 -0.92 0.00 0.00 175.35 173.22 3lix s ALA 15 N 3.91 2.17 -0.25 5.17 0.00 -0.04 -4.15 121.76 128.56 3lix s ALA 15 Ca 0.49 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 51.13 3lix s ALA 15 Cb -0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3lix s ALA 15 CO 0.19 0.50 0.06 -1.14 0.00 0.00 0.00 175.76 175.37 3lix s GLN 16 N -1.34 3.59 -0.22 0.00 0.74 0.11 -0.07 119.66 122.47 3lix s GLN 16 Ca 0.11 -0.51 -0.02 0.00 0.05 0.00 0.00 55.36 54.99 3lix s GLN 16 Cb -0.10 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.73 3lix s GLN 16 CO 0.03 -0.20 -0.08 0.08 -0.55 0.00 0.00 175.29 174.56 3lix s VAL 17 N 1.59 2.92 -0.38 1.34 1.01 0.21 -0.08 120.40 127.01 3lix s VAL 17 Ca 0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.18 3lix s VAL 17 Cb -0.15 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 33.91 3lix s VAL 17 CO 0.03 0.37 0.20 -0.62 0.00 0.00 0.00 175.10 175.07 3lix s ASP 18 N 1.39 5.57 0.08 3.32 2.15 0.75 -1.88 116.67 128.04 3lix s ASP 18 Ca 0.04 -1.26 0.28 0.00 0.43 0.00 0.00 52.55 52.03 3lix s ASP 18 Cb -0.15 -1.96 1.01 0.00 -0.30 0.00 0.00 42.92 41.52 3lix s ASP 18 CO -0.06 -0.43 1.82 0.35 -0.17 0.00 0.00 175.17 176.68 3lix n THR 19 N 4.91 0.21 -0.70 1.71 -2.24 -1.26 -1.12 114.28 115.78 3lix n THR 19 Ca -0.11 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3lix n THR 19 Cb 0.44 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3lix n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lix n GLN 20 N -1.78 0.00 -0.22 -0.78 6.02 -1.26 -4.82 117.38 114.54 3lix n GLN 20 Ca 0.06 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.15 3lix n GLN 20 Cb 0.37 -2.55 0.18 0.00 1.02 0.00 0.00 30.24 29.26 3lix n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3lix n THR 21 N -2.00 2.04 -3.94 5.09 -2.24 -1.26 -5.06 114.28 106.91 3lix n THR 21 Ca 0.00 -2.15 0.02 0.00 -2.27 0.00 0.00 64.05 59.64 3lix n THR 21 Cb 0.00 -0.25 0.01 0.00 -2.10 0.00 0.00 70.33 68.00 3lix n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3lix s SER 22 N -2.55 0.00 0.24 3.42 1.04 -1.26 -4.15 113.70 110.44 3lix s SER 22 Ca 0.36 -0.27 -0.31 0.00 0.48 0.00 0.00 55.95 56.21 3lix s SER 22 Cb 0.30 0.20 -0.13 0.00 0.10 0.00 0.00 66.02 66.49 3lix s SER 22 CO 0.05 -0.39 1.42 1.57 0.98 0.00 0.00 173.24 176.86 3lix n HIS 23 N -0.84 2.17 -1.67 5.02 -0.00 -1.26 -4.65 115.22 113.99 3lix n HIS 23 Ca 0.02 0.43 -0.39 0.00 0.46 0.00 0.00 57.72 58.24 3lix n HIS 23 Cb 0.59 -2.46 0.04 0.00 -0.12 0.00 0.00 29.99 28.04 3lix n HIS 23 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3lix n PRO 24 N 2.08 1.30 -3.96 1.57 -0.02 -1.26 -4.84 135.00 129.87 3lix n PRO 24 Ca 0.12 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3lix n PRO 24 Cb 0.31 -2.34 -0.12 0.00 -0.02 0.00 0.00 33.50 31.34 3lix n PRO 24 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lix s LYS 25 N -2.74 0.25 -0.19 -0.52 1.02 -0.79 -4.94 119.74 111.83 3lix s LYS 25 Ca 0.73 -0.48 -0.14 0.00 0.02 0.00 0.00 55.97 56.10 3lix s LYS 25 Cb -0.44 0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 36.92 3lix s LYS 25 CO 0.49 -0.04 0.30 0.99 -0.92 0.00 0.00 175.35 176.16 3lix s THR 26 N -1.15 5.29 0.24 2.17 2.01 -1.26 0.65 115.64 123.60 3lix s THR 26 Ca -0.13 0.52 0.03 0.00 0.31 0.00 0.00 61.69 62.43 3lix s THR 26 Cb -0.08 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3lix s THR 26 CO -0.01 0.35 0.03 0.27 -0.69 0.00 0.00 174.62 174.56 3lix s ILE 27 N 0.79 0.92 -0.43 1.82 -4.36 0.90 -4.95 121.20 115.88 3lix s ILE 27 Ca 0.15 -2.02 -0.12 0.00 -0.26 0.00 0.00 60.65 58.41 3lix s ILE 27 Cb -0.13 -2.45 0.07 0.00 1.25 0.00 0.00 42.46 41.20 3lix s ILE 27 CO 0.05 -0.23 0.29 -1.61 0.24 0.00 0.00 174.94 173.68 3lix s GLU 28 N -3.91 2.77 -0.03 0.37 0.41 -1.26 -0.86 118.70 116.18 3lix s GLU 28 Ca 0.31 -1.35 -0.00 0.00 -0.41 0.00 0.00 54.97 53.52 3lix s GLU 28 Cb 0.07 -3.89 -0.04 0.00 -1.78 0.00 0.00 34.13 28.49 3lix s GLU 28 CO 0.10 -0.93 0.02 0.00 -0.49 0.00 0.00 175.26 173.97 3lix s ALA 29 N 1.52 3.36 -0.14 5.21 0.00 0.19 -4.65 121.76 127.25 3lix s ALA 29 Ca 0.03 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 3lix s ALA 29 Cb -0.23 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 3lix s ALA 29 CO 0.04 0.64 0.71 -1.17 0.00 0.00 0.00 175.76 175.98 3lix s LEU 30 N -1.40 4.22 -0.65 0.00 2.96 0.05 -0.35 118.68 123.51 3lix s LEU 30 Ca 0.18 1.06 -0.28 0.00 -0.22 0.00 0.00 54.13 54.88 3lix s LEU 30 Cb -0.12 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.55 3lix s LEU 30 CO 0.09 -0.25 1.31 -0.76 -1.32 0.00 0.00 176.35 175.42 3lix s LEU 31 N 1.56 3.31 -0.36 -0.68 1.02 0.30 -0.20 118.68 123.63 3lix s LEU 31 Ca 0.34 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.42 3lix s LEU 31 Cb -0.17 -2.85 0.11 0.00 0.02 0.00 0.00 46.19 43.30 3lix s LEU 31 CO 0.14 -1.73 0.14 -0.62 0.02 0.00 0.00 176.35 174.30 3lix s ASP 32 N 3.85 4.05 0.00 2.29 2.15 -0.42 -4.81 116.67 123.78 3lix s ASP 32 Ca 0.43 -2.10 0.13 0.00 0.43 0.00 0.00 52.55 51.44 3lix s ASP 32 Cb -0.09 -1.08 0.75 0.00 -0.30 0.00 0.00 42.92 42.20 3lix s ASP 32 CO 0.21 -0.35 1.23 0.35 -0.17 0.00 0.00 175.17 176.43 3lix n THR 33 N 4.26 0.13 0.47 1.71 -2.24 -1.26 -1.48 114.28 115.86 3lix n THR 33 Ca 0.03 0.03 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 3lix n THR 33 Cb 0.39 -0.83 0.14 0.00 -2.10 0.00 0.00 70.33 67.93 3lix n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lix n GLY 34 N -0.19 1.17 3.64 3.38 0.00 -1.26 -4.89 105.19 107.04 3lix n GLY 34 Ca 0.09 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.14 3lix n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lix s ALA 35 N -1.43 3.57 0.28 4.61 0.00 -0.55 -4.95 121.76 123.29 3lix s ALA 35 Ca 0.28 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.58 3lix s ALA 35 Cb 0.18 -2.57 0.40 0.00 0.00 0.00 0.00 23.12 21.13 3lix s ALA 35 CO 0.25 -0.40 1.65 -0.44 0.00 0.00 0.00 175.76 176.83 3lix h ASP 36 N 7.71 0.17 -4.84 0.00 3.32 -1.90 -1.00 116.42 119.88 3lix h ASP 36 Ca -0.35 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.39 3lix h ASP 36 Cb 1.17 -0.05 -0.20 0.00 0.22 0.00 0.00 39.33 40.47 3lix h ASP 36 CO 0.67 0.65 -0.72 -0.32 -1.72 0.00 0.00 179.24 177.81 3lix s MET 37 N -3.90 0.49 0.25 3.56 1.75 -1.26 -3.55 119.30 116.63 3lix s MET 37 Ca -0.03 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.33 3lix s MET 37 Cb 0.13 -0.14 -0.09 0.00 2.84 0.00 0.00 34.83 37.57 3lix s MET 37 CO 0.77 0.01 1.15 0.99 -0.65 0.00 0.00 175.02 177.29 3lix s THR 38 N -1.72 3.47 -0.08 10.11 2.01 -1.26 -4.38 115.64 123.80 3lix s THR 38 Ca -0.09 1.38 0.03 0.00 0.31 0.00 0.00 61.69 63.32 3lix s THR 38 Cb -0.08 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.53 3lix s THR 38 CO -0.01 0.29 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.38 3lix s VAL 39 N -0.76 3.01 0.08 3.82 1.01 -0.28 -0.53 120.40 126.74 3lix s VAL 39 Ca 0.48 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.76 3lix s VAL 39 Cb -0.33 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 3lix s VAL 39 CO 0.40 0.57 -0.08 0.27 0.00 0.00 0.00 175.10 176.26 3lix s ILE 40 N -0.35 0.70 0.37 2.22 -4.36 -0.89 -0.51 121.20 118.38 3lix s ILE 40 Ca 0.03 -1.55 -0.25 0.00 -0.26 0.00 0.00 60.65 58.62 3lix s ILE 40 Cb -0.12 -1.21 -0.09 0.00 1.25 0.00 0.00 42.46 42.28 3lix s ILE 40 CO 0.02 -0.62 1.09 -2.84 0.24 0.00 0.00 174.94 172.84 3lix s PRO 41 N -2.76 4.23 0.31 0.37 0.02 -1.04 -0.86 135.00 135.28 3lix s PRO 41 Ca 0.02 1.67 0.21 0.00 0.02 0.00 0.00 61.00 62.92 3lix s PRO 41 Cb -0.02 -2.72 1.13 0.00 0.02 0.00 0.00 34.50 32.91 3lix s PRO 41 CO -0.02 -0.12 1.63 1.51 -0.33 0.00 0.00 177.00 179.68 3lix n ILE 42 N 0.24 1.05 0.30 2.83 3.06 -0.60 -2.37 119.36 123.87 3lix n ILE 42 Ca 0.03 0.73 0.16 0.00 -2.50 0.00 0.00 62.75 61.18 3lix n ILE 42 Cb 0.48 -1.73 0.75 0.00 0.54 0.00 0.00 39.64 39.67 3lix n ILE 42 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3lix h ALA 43 N 1.97 1.00 0.00 1.51 0.00 -1.91 -0.40 119.26 121.43 3lix h ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lix h ALA 43 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3lix h ALA 43 CO 0.00 0.00 -0.30 -0.07 0.00 0.00 0.00 179.25 178.88 3lix h LEU 44 N 0.00 0.00 -9.89 0.00 3.38 -1.87 -3.47 115.31 103.46 3lix h LEU 44 Ca 0.00 -0.07 -0.61 0.00 0.09 0.00 0.00 57.88 57.29 3lix h LEU 44 Cb 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3lix h LEU 44 CO 0.00 0.03 -0.43 -0.36 0.09 0.00 0.00 178.44 177.77 3lix s PHE 45 N -3.17 3.52 0.77 1.13 0.40 -0.16 -4.67 117.98 115.80 3lix s PHE 45 Ca 0.07 0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.69 3lix s PHE 45 Cb 0.11 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.82 3lix s PHE 45 CO 0.67 0.56 1.08 0.45 0.70 0.00 0.00 175.22 178.68 3lix s SER 46 N -2.30 4.65 0.13 1.36 0.15 -1.26 -4.99 113.70 111.45 3lix s SER 46 Ca 0.35 1.63 -0.19 0.00 0.70 0.00 0.00 55.95 58.43 3lix s SER 46 Cb -0.13 -2.39 -0.00 0.00 -1.71 0.00 0.00 66.02 61.79 3lix s SER 46 CO 0.24 -1.91 1.71 0.28 1.20 0.00 0.00 173.24 174.76 3lix h SER 47 N -1.05 -0.13 0.00 5.45 0.02 -1.96 -3.36 113.55 112.53 3lix h SER 47 Ca -0.45 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3lix h SER 47 Cb 1.24 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.89 3lix h SER 47 CO 0.55 -0.04 0.00 -0.46 -1.14 0.00 0.00 176.83 175.74 3lix n ASN 48 N -5.17 0.00 -2.48 3.07 6.94 -1.26 -5.01 115.26 111.35 3lix n ASN 48 Ca -0.01 0.00 -0.00 0.00 -0.02 0.00 0.00 54.58 54.54 3lix n ASN 48 Cb 0.13 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3lix n ASN 48 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 3lix n THR 49 N 0.00 -1.67 -2.28 5.53 -1.04 -1.26 -4.86 114.28 108.69 3lix n THR 49 Ca 0.00 0.29 -0.42 0.00 -2.04 0.00 0.00 64.05 61.88 3lix n THR 49 Cb 0.00 -2.36 -0.03 0.00 -1.82 0.00 0.00 70.33 66.12 3lix n THR 49 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3lix s PRO 50 N -0.06 4.34 -0.05 -2.82 0.04 -1.26 -5.03 135.00 130.16 3lix s PRO 50 Ca -0.01 1.92 0.03 0.00 0.04 0.00 0.00 61.00 62.97 3lix s PRO 50 Cb 0.00 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.13 3lix s PRO 50 CO 0.03 -0.43 -0.13 -0.51 0.04 0.00 0.00 177.00 176.00 3lix s LEU 51 N 1.63 1.73 0.21 -3.56 1.43 -1.26 -4.17 118.68 114.69 3lix s LEU 51 Ca 0.62 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 3lix s LEU 51 Cb -0.32 -0.81 -0.08 0.00 0.03 0.00 0.00 46.19 45.01 3lix s LEU 51 CO 0.28 0.07 0.98 -0.54 0.23 0.00 0.00 176.35 177.37 3lix s LYS 52 N 0.44 4.77 0.69 1.70 1.02 -0.68 -4.84 119.74 122.83 3lix s LYS 52 Ca -0.10 1.55 -0.17 0.00 0.02 0.00 0.00 55.97 57.28 3lix s LYS 52 Cb -0.13 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 3lix s LYS 52 CO 0.03 0.37 1.26 -0.80 -0.92 0.00 0.00 175.35 175.29 3lix s ASN 53 N -0.79 4.34 0.17 2.83 -0.87 -1.26 -0.72 114.94 118.64 3lix s ASN 53 Ca 0.44 2.53 -0.19 0.00 -1.57 0.00 0.00 52.86 54.06 3lix s ASN 53 Cb -0.27 -2.61 0.04 0.00 -0.02 0.00 0.00 41.25 38.40 3lix s ASN 53 CO 0.33 -2.18 0.53 0.28 -2.57 0.00 0.00 177.10 173.50 3lix s THR 54 N -1.64 0.03 -0.10 1.60 -1.32 -1.24 -4.71 115.64 108.25 3lix s THR 54 Ca 0.79 -0.46 -0.01 0.00 -1.21 0.00 0.00 61.69 60.80 3lix s THR 54 Cb -0.34 -1.29 -0.03 0.00 -1.51 0.00 0.00 72.50 69.33 3lix s THR 54 CO 0.43 -0.12 -0.05 -0.55 -2.21 0.00 0.00 174.62 172.12 3lix s SER 55 N -2.81 4.79 -0.04 8.08 0.15 -1.26 -4.43 113.70 118.17 3lix s SER 55 Ca 0.05 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.65 3lix s SER 55 Cb -0.01 -1.43 0.03 0.00 -1.71 0.00 0.00 66.02 62.90 3lix s SER 55 CO -0.08 0.30 0.08 -0.69 1.20 0.00 0.00 173.24 174.05 3lix s VAL 56 N -0.42 -0.07 -0.11 4.45 1.01 -1.15 -4.97 120.40 119.13 3lix s VAL 56 Ca 0.07 0.23 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 3lix s VAL 56 Cb -0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 3lix s VAL 56 CO 0.02 0.10 0.36 -0.22 0.00 0.00 0.00 175.10 175.36 3lix s LEU 57 N 1.30 4.31 0.00 3.92 0.20 -1.26 -0.18 118.68 126.96 3lix s LEU 57 Ca -0.07 0.69 0.00 0.00 0.69 0.00 0.00 54.13 55.44 3lix s LEU 57 Cb -0.12 -2.50 0.00 0.00 -0.43 0.00 0.00 46.19 43.14 3lix s LEU 57 CO -0.04 0.13 0.00 0.61 -0.29 0.00 0.00 176.35 176.76 3lix n GLY 58 N 2.98 3.45 0.35 7.98 0.00 -0.78 -4.96 105.19 114.21 3lix n GLY 58 Ca -0.11 -1.44 -0.01 0.00 0.00 0.00 0.00 46.02 44.46 3lix n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lix h ALA 59 N 1.32 1.22 0.00 4.61 0.00 -2.03 -0.30 119.26 124.08 3lix h ALA 59 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3lix h ALA 59 Cb 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.45 3lix h ALA 59 CO 0.00 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3lix n GLY 60 N -1.35 -0.63 2.25 0.00 0.00 -1.26 -4.99 105.19 99.21 3lix n GLY 60 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3lix n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lix n GLY 61 N 0.15 -1.93 3.75 -0.02 0.00 -0.13 -4.95 105.19 102.06 3lix n GLY 61 Ca 0.02 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 3lix n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lix s GLN 62 N -0.06 4.43 -0.20 1.61 2.00 -1.26 -1.86 119.66 124.32 3lix s GLN 62 Ca 0.00 2.04 -0.03 0.00 -2.00 0.00 0.00 55.36 55.37 3lix s GLN 62 Cb 0.00 -3.16 0.07 0.00 0.80 0.00 0.00 33.01 30.71 3lix s GLN 62 CO 0.00 -0.14 0.05 -0.08 -0.50 0.00 0.00 175.29 174.62 3lix s THR 63 N -0.47 0.41 0.33 -0.34 -1.32 0.74 -4.96 115.64 110.03 3lix s THR 63 Ca 0.52 -0.56 0.13 0.00 -1.21 0.00 0.00 61.69 60.57 3lix s THR 63 Cb -0.36 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 69.70 3lix s THR 63 CO 0.43 -0.29 1.77 1.56 -2.21 0.00 0.00 174.62 175.88 3lix h GLN 64 N 8.27 0.00 0.00 7.08 1.08 -1.86 -3.05 115.11 126.63 3lix h GLN 64 Ca -0.16 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.93 3lix h GLN 64 Cb 1.11 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.52 3lix h GLN 64 CO 0.34 0.43 -1.78 -0.40 -0.95 0.00 0.00 178.83 176.48 3lix n ASP 65 N -3.96 0.33 0.07 1.46 5.75 -1.26 -4.42 116.55 114.52 3lix n ASP 65 Ca -0.02 0.14 -0.22 0.00 -0.01 0.00 0.00 54.79 54.69 3lix n ASP 65 Cb 0.47 1.15 -0.15 0.00 -1.03 0.00 0.00 41.12 41.57 3lix n ASP 65 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3lix h HIS 66 N 0.00 0.66 -3.85 2.11 3.86 -1.88 -3.48 115.15 112.57 3lix h HIS 66 Ca -0.14 -0.48 -0.68 0.00 -1.16 0.00 0.00 60.37 57.91 3lix h HIS 66 Cb 1.36 -0.03 -0.20 0.00 1.06 0.00 0.00 27.41 29.60 3lix h HIS 66 CO 0.00 1.61 -0.78 -0.06 0.86 0.00 0.00 177.93 179.56 3lix s PHE 67 N -2.59 2.62 0.37 2.45 0.40 -1.26 -2.18 117.98 117.80 3lix s PHE 67 Ca -0.14 -0.22 0.07 0.00 -0.60 0.00 0.00 56.93 56.04 3lix s PHE 67 Cb 0.06 -1.47 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 3lix s PHE 67 CO 0.85 0.30 -0.02 0.15 0.70 0.00 0.00 175.22 177.21 3lix s LYS 68 N -1.60 1.85 -0.08 0.44 1.02 -0.37 -3.65 119.74 117.35 3lix s LYS 68 Ca 0.16 -2.02 0.03 0.00 0.02 0.00 0.00 55.97 54.16 3lix s LYS 68 Cb -0.11 -1.52 -0.02 0.00 -0.52 0.00 0.00 37.83 35.66 3lix s LYS 68 CO 0.07 -0.01 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.16 3lix s LEU 69 N -3.64 2.61 0.37 3.17 2.96 0.10 0.13 118.68 124.38 3lix s LEU 69 Ca 0.34 -0.30 -0.26 0.00 -0.22 0.00 0.00 54.13 53.69 3lix s LEU 69 Cb 0.07 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 45.13 3lix s LEU 69 CO 0.17 0.27 1.19 0.42 -1.32 0.00 0.00 176.35 177.07 3lix s THR 70 N -0.26 3.11 0.11 3.68 -4.23 -1.01 -1.69 115.64 115.35 3lix s THR 70 Ca 0.01 0.99 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 3lix s THR 70 Cb -0.13 -3.58 -0.22 0.00 1.34 0.00 0.00 72.50 69.91 3lix s THR 70 CO 0.03 0.14 1.25 0.28 -0.54 0.00 0.00 174.62 175.77 3lix h SER 71 N 2.92 0.55 -3.12 3.99 0.02 -1.93 -3.44 113.55 112.54 3lix h SER 71 Ca -0.48 -0.48 -0.64 0.00 -0.84 0.00 0.00 61.79 59.34 3lix h SER 71 Cb 1.23 -0.17 -0.17 0.00 0.14 0.00 0.00 62.40 63.43 3lix h SER 71 CO 0.64 1.30 -0.78 -0.76 -1.14 0.00 0.00 176.83 176.08 3lix s LEU 72 N -7.62 2.66 0.78 5.07 1.43 -1.26 -5.03 118.68 114.71 3lix s LEU 72 Ca -0.06 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.15 3lix s LEU 72 Cb 0.08 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3lix s LEU 72 CO 0.88 0.11 0.98 -2.65 0.23 0.00 0.00 176.35 175.90 3lix n PRO 73 N 0.18 0.29 -4.61 1.29 -0.02 -1.21 -4.70 135.00 126.21 3lix n PRO 73 Ca -0.12 0.16 -0.33 0.00 -2.02 0.00 0.00 63.50 61.19 3lix n PRO 73 Cb 0.56 -2.25 -0.15 0.00 -0.02 0.00 0.00 33.50 31.64 3lix n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lix s VAL 74 N -2.00 2.59 -0.07 -1.45 1.01 -0.06 -4.69 120.40 115.73 3lix s VAL 74 Ca 0.71 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 3lix s VAL 74 Cb -0.31 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3lix s VAL 74 CO 0.53 0.52 0.51 -0.76 0.00 0.00 0.00 175.10 175.90 3lix s LEU 75 N 0.74 4.35 -0.21 3.92 2.01 -0.28 -1.56 118.68 127.65 3lix s LEU 75 Ca -0.07 0.96 0.00 0.00 0.01 0.00 0.00 54.13 55.03 3lix s LEU 75 Cb -0.16 -2.77 0.05 0.00 0.01 0.00 0.00 46.19 43.33 3lix s LEU 75 CO 0.01 0.07 -0.06 -0.63 1.01 0.00 0.00 176.35 176.75 3lix s ILE 76 N 0.16 1.43 -0.18 -0.59 1.01 0.83 -0.18 121.20 123.68 3lix s ILE 76 Ca 0.28 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3lix s ILE 76 Cb -0.16 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.63 3lix s ILE 76 CO 0.13 0.02 0.28 -0.13 0.00 0.00 0.00 174.94 175.24 3lix s ARG 77 N 1.47 4.22 0.42 2.79 3.00 0.88 -0.85 118.95 130.87 3lix s ARG 77 Ca -0.03 0.05 0.08 0.00 0.00 0.00 0.00 55.73 55.82 3lix s ARG 77 Cb -0.17 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.32 3lix s ARG 77 CO -0.07 0.17 0.53 -0.51 0.00 0.00 0.00 175.30 175.41 3lix s LEU 78 N 0.69 3.62 0.07 2.53 1.43 -1.26 0.06 118.68 125.83 3lix s LEU 78 Ca 0.15 -0.47 -0.27 0.00 -1.03 0.00 0.00 54.13 52.51 3lix s LEU 78 Cb -0.13 -2.55 -0.17 0.00 0.03 0.00 0.00 46.19 43.37 3lix s LEU 78 CO 0.04 -0.72 1.62 -0.65 0.23 0.00 0.00 176.35 176.87 3lix h PRO 79 N 0.73 -0.39 0.00 1.29 0.11 -2.00 -3.39 132.00 128.35 3lix h PRO 79 Ca -0.41 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3lix h PRO 79 Cb 1.28 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.48 3lix h PRO 79 CO 0.48 -0.22 0.00 1.97 -0.21 0.00 0.00 178.00 180.01 3lix n PHE 80 N -5.24 0.00 -1.68 0.65 -1.74 -1.26 -4.79 117.46 103.39 3lix n PHE 80 Ca -0.10 0.00 -0.45 0.00 -0.56 0.00 0.00 57.45 56.34 3lix n PHE 80 Cb 0.20 -0.20 -0.04 0.00 1.52 0.00 0.00 39.48 40.96 3lix n PHE 80 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3lix n ARG 81 N -1.11 2.33 0.00 3.97 5.12 -1.26 -4.90 116.66 120.81 3lix n ARG 81 Ca 0.00 0.84 -0.08 0.00 -1.93 0.00 0.00 57.85 56.69 3lix n ARG 81 Cb 0.00 -2.66 0.09 0.00 -1.16 0.00 0.00 32.46 28.73 3lix n ARG 81 CO 0.00 0.00 0.00 1.79 -1.93 0.00 0.00 177.63 177.49 3lix h THR 82 N 4.12 1.31 -3.14 0.55 1.35 -1.87 -3.40 112.91 111.84 3lix h THR 82 Ca -0.46 -1.67 -0.59 0.00 -0.55 0.00 0.00 66.41 63.15 3lix h THR 82 Cb 1.25 1.65 -0.06 0.00 -1.73 0.00 0.00 68.15 69.26 3lix h THR 82 CO 0.92 0.52 -0.15 0.42 -0.25 0.00 0.00 175.52 176.97 3lix s THR 83 N -4.13 5.01 0.44 6.82 -4.23 -1.26 -4.97 115.64 113.32 3lix s THR 83 Ca -0.07 0.95 -0.18 0.00 -1.18 0.00 0.00 61.69 61.20 3lix s THR 83 Cb 0.12 -3.78 -0.09 0.00 1.34 0.00 0.00 72.50 70.09 3lix s THR 83 CO 0.83 0.51 0.92 -2.16 -0.54 0.00 0.00 174.62 174.18 3lix s PRO 84 N -0.63 4.08 0.10 3.99 0.04 -1.26 -4.86 135.00 136.45 3lix s PRO 84 Ca 0.25 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 3lix s PRO 84 Cb -0.17 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 3lix s PRO 84 CO 0.14 -0.08 1.06 0.42 0.04 0.00 0.00 177.00 178.57 3lix s ILE 85 N -2.31 4.28 -0.26 0.56 1.01 -0.03 -4.87 121.20 119.58 3lix s ILE 85 Ca 0.59 1.79 0.02 0.00 0.00 0.00 0.00 60.65 63.05 3lix s ILE 85 Cb -0.10 -4.15 0.06 0.00 0.01 0.00 0.00 42.46 38.28 3lix s ILE 85 CO 0.21 0.23 -0.09 -0.69 0.00 0.00 0.00 174.94 174.59 3lix s VAL 86 N 0.38 2.35 -0.20 2.92 1.01 -1.26 -0.12 120.40 125.49 3lix s VAL 86 Ca 0.51 -1.54 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 3lix s VAL 86 Cb -0.26 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 3lix s VAL 86 CO 0.31 -0.01 0.28 -0.76 0.00 0.00 0.00 175.10 174.92 3lix s LEU 87 N 1.15 4.18 0.34 3.92 1.43 -0.60 -4.93 118.68 124.16 3lix s LEU 87 Ca -0.07 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 3lix s LEU 87 Cb -0.20 -2.33 0.66 0.00 0.03 0.00 0.00 46.19 44.35 3lix s LEU 87 CO -0.05 0.04 1.96 0.74 0.23 0.00 0.00 176.35 179.27 3lix h THR 88 N 4.89 1.06 -1.90 5.49 2.02 -1.93 -0.14 112.91 122.41 3lix h THR 88 Ca -0.39 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 3lix h THR 88 Cb 1.16 0.13 -0.21 0.00 -1.74 0.00 0.00 68.15 67.49 3lix h THR 88 CO 0.72 0.16 0.23 -0.55 0.37 0.00 0.00 175.52 176.44 3lix s SER 89 N -6.20 -0.65 0.20 4.18 0.15 -1.26 -3.34 113.70 106.77 3lix s SER 89 Ca -0.10 1.09 -0.15 0.00 0.70 0.00 0.00 55.95 57.48 3lix s SER 89 Cb 0.19 1.04 0.02 0.00 -1.71 0.00 0.00 66.02 65.56 3lix s SER 89 CO 0.78 -0.34 0.47 0.00 1.20 0.00 0.00 173.24 175.35 3lix s LEU 91 N -2.91 3.66 -0.18 0.00 1.43 0.30 -2.41 118.68 118.57 3lix s LEU 91 Ca 0.13 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 3lix s LEU 91 Cb -0.00 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.73 3lix s LEU 91 CO -0.00 -0.74 -0.08 -0.69 0.23 0.00 0.00 176.35 175.06 3lix s VAL 92 N -2.43 1.44 -0.28 -1.59 1.01 0.35 -2.10 120.40 116.79 3lix s VAL 92 Ca 0.62 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3lix s VAL 92 Cb -0.12 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.72 3lix s VAL 92 CO 0.29 0.16 1.17 -0.62 0.00 0.00 0.00 175.10 176.10 3lix s ASP 93 N 1.49 6.86 -0.13 3.32 2.15 -0.03 -1.24 116.67 129.09 3lix s ASP 93 Ca -0.00 1.22 -0.02 0.00 0.43 0.00 0.00 52.55 54.18 3lix s ASP 93 Cb -0.16 -2.54 -0.24 0.00 -0.30 0.00 0.00 42.92 39.68 3lix s ASP 93 CO -0.08 -0.91 0.32 0.35 -0.17 0.00 0.00 175.17 174.68 3lix n THR 94 N 5.86 1.71 0.07 1.71 -2.24 -0.92 -1.56 114.28 118.90 3lix n THR 94 Ca 0.13 -0.67 -0.03 0.00 -2.27 0.00 0.00 64.05 61.21 3lix n THR 94 Cb 0.46 -1.55 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 3lix n THR 94 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3lix h LYS 95 N 0.05 -0.20 0.00 -0.78 3.64 -1.90 -3.46 116.57 113.92 3lix h LYS 95 Ca -0.43 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3lix h LYS 95 Cb 2.02 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.89 3lix h LYS 95 CO 0.06 -0.13 0.00 0.09 -2.27 0.00 0.00 179.45 177.20 3lix n ASN 96 N -2.95 0.00 -3.06 4.20 3.02 -1.26 -5.06 115.26 110.15 3lix n ASN 96 Ca -0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.34 3lix n ASN 96 Cb 0.08 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 3lix n ASN 96 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lix n ASN 97 N 0.00 -0.93 -4.77 6.41 5.03 -1.26 -4.77 115.26 114.96 3lix n ASN 97 Ca 0.00 -2.86 -0.38 0.00 0.87 0.00 0.00 54.58 52.21 3lix n ASN 97 Cb 0.00 0.19 -0.05 0.00 -1.02 0.00 0.00 39.78 38.90 3lix n ASN 97 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3lix s TRP 98 N -0.45 3.60 -0.18 3.10 0.51 -1.26 -4.75 118.94 119.51 3lix s TRP 98 Ca 0.34 1.75 0.00 0.00 -2.12 0.00 0.00 56.10 56.07 3lix s TRP 98 Cb 0.17 -3.06 0.04 0.00 -0.81 0.00 0.00 33.47 29.81 3lix s TRP 98 CO -0.16 -0.13 -0.08 0.00 -0.51 0.00 0.00 176.95 176.07 3lix s ALA 99 N -1.46 1.73 -0.04 0.98 0.00 -1.26 -2.51 121.76 119.21 3lix s ALA 99 Ca 0.49 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 3lix s ALA 99 Cb -0.24 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.73 3lix s ALA 99 CO 0.30 -0.76 0.05 0.42 0.00 0.00 0.00 175.76 175.77 3lix s ILE 100 N 1.52 -0.04 -0.41 0.00 1.01 0.34 -0.77 121.20 122.84 3lix s ILE 100 Ca 0.00 0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.80 3lix s ILE 100 Cb -0.15 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.14 3lix s ILE 100 CO -0.08 0.19 0.79 -0.63 0.00 0.00 0.00 174.94 175.21 3lix s ILE 101 N 2.11 4.67 0.00 2.92 -1.09 0.72 -1.13 121.20 129.40 3lix s ILE 101 Ca 0.05 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.12 3lix s ILE 101 Cb -0.12 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3lix s ILE 101 CO -0.03 -0.60 0.00 0.61 -1.23 0.00 0.00 174.94 173.68 3lix n GLY 102 N 4.79 1.42 0.15 6.18 0.00 -1.26 -1.30 105.19 115.16 3lix n GLY 102 Ca 0.03 -2.04 -0.05 0.00 0.00 0.00 0.00 46.02 43.97 3lix n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lix h ARG 103 N 0.00 0.17 -0.76 1.61 3.08 -1.33 -1.69 114.38 115.45 3lix h ARG 103 Ca 0.00 -0.13 0.16 0.00 0.07 0.00 0.00 59.98 60.08 3lix h ARG 103 Cb 0.00 0.02 -0.14 0.00 0.08 0.00 0.00 29.97 29.93 3lix h ARG 103 CO 0.00 0.77 -0.13 0.38 -1.07 0.00 0.00 179.97 179.92 3lix h ASP 104 N 0.12 -0.60 -0.03 7.04 2.03 -1.82 0.10 116.42 123.26 3lix h ASP 104 Ca -0.01 0.22 -0.12 0.00 -0.73 0.00 0.00 57.03 56.38 3lix h ASP 104 Cb 1.19 0.44 0.01 0.00 -0.83 0.00 0.00 39.33 40.13 3lix h ASP 104 CO 0.10 -0.23 -0.46 0.00 -1.03 0.00 0.00 179.24 177.61 3lix h ALA 105 N 1.75 0.10 -0.23 4.15 0.00 -1.87 -3.24 119.26 119.92 3lix h ALA 105 Ca 0.38 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3lix h ALA 105 Cb 0.62 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3lix h ALA 105 CO -0.75 0.28 -0.17 -0.07 0.00 0.00 0.00 179.25 178.53 3lix h LEU 106 N -0.14 0.38 -0.15 0.00 3.38 -0.51 -2.46 115.31 115.81 3lix h LEU 106 Ca -0.05 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3lix h LEU 106 Cb 1.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3lix h LEU 106 CO 0.09 0.58 0.06 -0.61 0.09 0.00 0.00 178.44 178.65 3lix h GLN 107 N 0.36 0.22 -0.04 1.13 4.15 -0.93 0.67 115.11 120.67 3lix h GLN 107 Ca 0.06 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3lix h GLN 107 Cb 0.52 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3lix h GLN 107 CO 0.03 0.30 0.15 1.96 -1.93 0.00 0.00 178.83 179.34 3lix h GLN 108 N 0.09 0.00 -0.14 1.69 4.20 -1.47 0.23 115.11 119.71 3lix h GLN 108 Ca 0.05 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3lix h GLN 108 Cb 0.16 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3lix h GLN 108 CO -0.00 0.00 -0.22 0.00 -0.67 0.00 0.00 178.83 177.94 3lix n GLN 110 N -1.12 -4.32 -2.06 0.00 6.02 0.81 -4.95 117.38 111.77 3lix n GLN 110 Ca 0.23 0.55 -0.39 0.00 -0.01 0.00 0.00 57.00 57.38 3lix n GLN 110 Cb 0.81 -5.35 -0.00 0.00 1.02 0.00 0.00 30.24 26.72 3lix n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3lix s GLY 111 N -3.00 2.92 0.09 1.08 0.00 0.16 -5.01 107.32 103.57 3lix s GLY 111 Ca 0.53 1.22 0.03 0.00 0.00 0.00 0.00 44.72 46.51 3lix s GLY 111 CO 0.66 1.81 -0.09 -1.34 0.00 0.00 0.00 173.10 174.14 3lix s VAL 112 N -1.27 0.81 -0.20 1.40 -7.23 -1.26 -4.75 120.40 107.90 3lix s VAL 112 Ca 0.57 -1.69 -0.09 0.00 -1.81 0.00 0.00 61.98 58.96 3lix s VAL 112 Cb -0.38 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 3lix s VAL 112 CO 0.48 -0.66 0.11 -0.76 -0.31 0.00 0.00 175.10 173.96 3lix s LEU 113 N -2.58 3.99 -0.24 1.32 1.43 -1.26 -5.09 118.68 116.25 3lix s LEU 113 Ca 0.06 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 3lix s LEU 113 Cb -0.01 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3lix s LEU 113 CO -0.02 0.14 -0.05 -0.47 0.23 0.00 0.00 176.35 176.19 3lix s TYR 114 N 0.57 3.01 -0.31 0.29 5.04 -1.26 -5.08 117.35 119.61 3lix s TYR 114 Ca 0.06 -1.29 -0.07 0.00 -2.44 0.00 0.00 57.07 53.34 3lix s TYR 114 Cb -0.12 -2.08 0.02 0.00 0.35 0.00 0.00 41.96 40.13 3lix s TYR 114 CO 0.01 -0.66 0.09 -0.51 -1.34 0.00 0.00 175.55 173.14 3lix s LEU 115 N 1.39 4.05 0.00 6.97 1.02 -1.26 -5.19 118.68 125.66 3lix s LEU 115 Ca 0.03 -0.90 0.00 0.00 0.02 0.00 0.00 54.13 53.28 3lix s LEU 115 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 46.19 44.18 3lix s LEU 115 CO -0.04 -0.25 0.50 -2.65 0.02 0.00 0.00 176.35 173.92