#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 4.04 -0.40 0.52 1.01 -1.26 -5.00 120.40 119.30 3lix s VAL 2 Ca 0.00 1.33 -0.10 0.00 0.00 0.00 0.00 61.98 63.21 3lix s VAL 2 Cb 0.00 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.58 3lix s VAL 2 CO 0.00 -0.06 0.24 -0.63 0.00 0.00 0.00 175.10 174.65 3lix s ILE 3 N 2.96 4.38 0.45 2.22 1.01 -1.26 -5.09 121.20 125.88 3lix s ILE 3 Ca 0.60 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.82 3lix s ILE 3 Cb -0.26 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 3lix s ILE 3 CO 0.21 -0.41 1.21 -2.84 0.00 0.00 0.00 174.94 173.12 3lix s PRO 4 N 1.48 3.77 -0.18 2.79 0.02 -1.26 -5.01 135.00 136.61 3lix s PRO 4 Ca 0.02 1.90 -0.12 0.00 0.02 0.00 0.00 61.00 62.82 3lix s PRO 4 Cb -0.22 -2.49 -0.05 0.00 0.02 0.00 0.00 34.50 31.76 3lix s PRO 4 CO 0.04 -0.57 0.21 -0.51 -0.33 0.00 0.00 177.00 175.84 3lix s LEU 5 N -2.89 4.23 -0.15 -5.54 1.43 -1.26 -4.86 118.68 109.63 3lix s LEU 5 Ca 0.62 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3lix s LEU 5 Cb -0.32 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.74 3lix s LEU 5 CO 0.39 0.14 0.32 -0.62 0.23 0.00 0.00 176.35 176.81 3lix s ASP 6 N 0.41 -0.04 0.36 2.29 -1.08 -1.26 -5.05 116.67 112.31 3lix s ASP 6 Ca 0.12 0.73 0.07 0.00 -0.52 0.00 0.00 52.55 52.95 3lix s ASP 6 Cb -0.12 0.83 0.76 0.00 -1.46 0.00 0.00 42.92 42.93 3lix s ASP 6 CO 0.01 -0.22 1.94 1.55 0.52 0.00 0.00 175.17 178.97 3lix h PRO 7 N 7.90 0.72 0.00 4.34 0.13 -2.02 -2.65 132.00 140.42 3lix h PRO 7 Ca -0.22 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3lix h PRO 7 Cb 1.13 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3lix h PRO 7 CO 0.20 0.48 -0.25 0.00 -0.23 0.00 0.00 178.00 178.19 3lix n ALA 8 N -2.45 2.55 -3.72 -0.56 0.00 -1.26 -4.67 120.51 110.40 3lix n ALA 8 Ca 0.12 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 3lix n ALA 8 Cb 0.28 -1.35 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 3lix n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3lix s ARG 9 N -3.12 0.79 0.38 0.00 0.52 -1.00 -5.12 118.95 111.39 3lix s ARG 9 Ca 0.09 -1.21 -0.28 0.00 -0.52 0.00 0.00 55.73 53.81 3lix s ARG 9 Cb 0.13 -2.02 -0.11 0.00 0.52 0.00 0.00 34.95 33.47 3lix s ARG 9 CO 0.65 -1.02 1.41 0.54 0.02 0.00 0.00 175.30 176.90 3lix n ARG 10 N 4.64 2.43 -2.59 3.54 1.74 -1.26 -4.33 116.66 120.83 3lix n ARG 10 Ca -0.00 0.85 -0.41 0.00 -0.77 0.00 0.00 57.85 57.52 3lix n ARG 10 Cb 0.41 -2.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.27 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 -2.08 3.21 0.21 5.56 0.04 -1.26 -4.97 135.00 135.72 3lix s PRO 11 Ca 0.55 -0.39 0.10 0.00 0.04 0.00 0.00 61.00 61.30 3lix s PRO 11 Cb -0.50 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 29.72 3lix s PRO 11 CO 0.62 -2.11 -0.12 0.14 0.04 0.00 0.00 177.00 175.58 3lix s VAL 12 N 5.44 2.99 0.03 -0.36 -7.23 -1.26 -0.50 120.40 119.51 3lix s VAL 12 Ca 0.34 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 3lix s VAL 12 Cb -0.09 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 3lix s VAL 12 CO 0.12 -0.21 -0.04 -0.51 -0.31 0.00 0.00 175.10 174.16 3lix s ILE 13 N -1.94 0.21 -0.32 -0.62 2.07 0.03 -4.95 121.20 115.68 3lix s ILE 13 Ca 0.26 -1.07 -0.19 0.00 -1.41 0.00 0.00 60.65 58.24 3lix s ILE 13 Cb -0.08 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 3lix s ILE 13 CO 0.15 -0.55 0.57 -0.54 -1.91 0.00 0.00 174.94 172.66 3lix s LYS 14 N -1.83 3.83 0.03 3.50 -0.14 -1.26 -0.05 119.74 123.81 3lix s LYS 14 Ca -0.12 0.13 0.08 0.00 -1.36 0.00 0.00 55.97 54.71 3lix s LYS 14 Cb -0.07 -3.74 -0.03 0.00 -1.68 0.00 0.00 37.83 32.30 3lix s LYS 14 CO -0.02 -0.56 -0.24 0.00 -0.76 0.00 0.00 175.35 173.77 3lix s ALA 15 N 2.49 2.03 -0.33 5.17 0.00 -0.06 -4.02 121.76 127.03 3lix s ALA 15 Ca 0.22 -1.15 -0.15 0.00 0.00 0.00 0.00 51.96 50.87 3lix s ALA 15 Cb -0.15 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3lix s ALA 15 CO 0.12 0.48 0.38 -1.14 0.00 0.00 0.00 175.76 175.60 3lix s GLN 16 N -1.10 3.63 -0.18 0.00 0.74 -0.08 -0.74 119.66 121.93 3lix s GLN 16 Ca 0.10 -0.33 -0.08 0.00 0.05 0.00 0.00 55.36 55.10 3lix s GLN 16 Cb -0.09 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 3lix s GLN 16 CO 0.01 -0.50 0.08 0.08 -0.55 0.00 0.00 175.29 174.41 3lix s VAL 17 N 2.07 4.99 -0.35 1.34 1.01 -0.36 -1.25 120.40 127.85 3lix s VAL 17 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3lix s VAL 17 Cb -0.16 -3.24 0.07 0.00 0.00 0.00 0.00 36.38 33.05 3lix s VAL 17 CO 0.12 0.48 0.09 -0.62 0.00 0.00 0.00 175.10 175.16 3lix s ASP 18 N 0.17 5.06 0.18 3.32 -1.08 0.13 -1.57 116.67 122.88 3lix s ASP 18 Ca 0.06 -1.60 0.25 0.00 -0.52 0.00 0.00 52.55 50.74 3lix s ASP 18 Cb -0.12 -1.76 0.59 0.00 -1.46 0.00 0.00 42.92 40.17 3lix s ASP 18 CO -0.00 -0.38 1.58 0.71 0.52 0.00 0.00 175.17 177.60 3lix h THR 19 N 6.41 0.00 -0.07 1.71 1.35 -1.82 -0.68 112.91 119.81 3lix h THR 19 Ca -0.17 -0.51 -0.03 0.00 -0.55 0.00 0.00 66.41 65.14 3lix h THR 19 Cb 1.06 1.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3lix h THR 19 CO 0.60 0.00 -0.03 0.00 -0.25 0.00 0.00 175.52 175.84 3lix n GLN 20 N -2.25 -0.24 0.00 4.72 6.02 -1.26 -4.81 117.38 119.56 3lix n GLN 20 Ca 0.04 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 3lix n GLN 20 Cb 0.44 -3.75 0.00 0.00 1.02 0.00 0.00 30.24 27.96 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 -2.89 0.00 -3.64 5.09 -2.24 -1.26 -5.08 114.28 104.27 3lix n THR 21 Ca -0.01 -0.31 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 3lix n THR 21 Cb 0.08 0.97 0.02 0.00 -2.10 0.00 0.00 70.33 69.30 3lix n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3lix n SER 22 N -0.67 -1.73 -4.76 3.42 3.41 -1.26 -4.03 113.62 108.00 3lix n SER 22 Ca 0.00 -2.25 -0.38 0.00 -0.26 0.00 0.00 58.87 55.98 3lix n SER 22 Cb 0.00 2.89 0.01 0.00 -0.26 0.00 0.00 64.21 66.85 3lix n SER 22 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3lix s HIS 23 N -3.68 2.62 0.44 7.33 0.09 -1.26 -4.65 115.29 116.17 3lix s HIS 23 Ca 0.13 1.46 -0.26 0.00 -0.00 0.00 0.00 55.06 56.39 3lix s HIS 23 Cb -0.04 -3.58 -0.08 0.00 -0.00 0.00 0.00 32.58 28.88 3lix s HIS 23 CO 0.10 -2.13 1.40 -2.14 -0.00 0.00 0.00 174.74 171.97 3lix s PRO 24 N -2.75 3.77 -0.01 8.40 0.02 -1.26 -4.85 135.00 138.32 3lix s PRO 24 Ca 0.66 2.37 -0.01 0.00 0.02 0.00 0.00 61.00 64.05 3lix s PRO 24 Cb -0.34 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3lix s PRO 24 CO 0.41 -0.73 0.02 0.15 -0.33 0.00 0.00 177.00 176.52 3lix s LYS 25 N -2.39 0.04 -0.19 5.54 1.02 -0.61 -4.95 119.74 118.20 3lix s LYS 25 Ca 0.60 -0.00 -0.26 0.00 0.02 0.00 0.00 55.97 56.33 3lix s LYS 25 Cb -0.43 0.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 3lix s LYS 25 CO 0.55 -0.01 0.88 0.99 -0.92 0.00 0.00 175.35 176.84 3lix s THR 26 N -0.06 4.83 0.35 2.17 2.01 -1.26 -1.22 115.64 122.46 3lix s THR 26 Ca -0.01 1.71 0.05 0.00 0.31 0.00 0.00 61.69 63.75 3lix s THR 26 Cb -0.01 -4.17 -0.07 0.00 0.01 0.00 0.00 72.50 68.26 3lix s THR 26 CO -0.00 -0.03 0.02 0.27 -0.69 0.00 0.00 174.62 174.19 3lix s ILE 27 N 2.49 1.57 -0.17 1.82 -4.36 0.08 -4.93 121.20 117.69 3lix s ILE 27 Ca 0.39 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.57 3lix s ILE 27 Cb -0.16 -2.81 -0.03 0.00 1.25 0.00 0.00 42.46 40.70 3lix s ILE 27 CO 0.10 -0.05 0.52 -0.70 0.24 0.00 0.00 174.94 175.05 3lix s GLU 28 N -3.80 4.25 0.10 0.37 2.12 -1.26 -0.89 118.70 119.59 3lix s GLU 28 Ca 0.35 0.45 0.10 0.00 0.36 0.00 0.00 54.97 56.22 3lix s GLU 28 Cb 0.08 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.92 3lix s GLU 28 CO 0.16 -0.05 -0.25 0.00 -0.54 0.00 0.00 175.26 174.58 3lix s ALA 29 N 1.31 2.16 -0.17 6.30 0.00 0.93 -3.09 121.76 129.19 3lix s ALA 29 Ca 0.25 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 3lix s ALA 29 Cb -0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 3lix s ALA 29 CO 0.10 0.48 0.21 -1.17 0.00 0.00 0.00 175.76 175.38 3lix s LEU 30 N -1.76 4.24 -0.37 0.00 2.96 -0.36 -0.79 118.68 122.60 3lix s LEU 30 Ca 0.11 0.38 -0.25 0.00 -0.22 0.00 0.00 54.13 54.15 3lix s LEU 30 Cb -0.10 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3lix s LEU 30 CO 0.04 0.16 0.89 -0.76 -1.32 0.00 0.00 176.35 175.37 3lix s LEU 31 N 0.28 4.03 -0.27 -0.68 1.43 0.34 -0.44 118.68 123.36 3lix s LEU 31 Ca 0.12 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3lix s LEU 31 Cb -0.12 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 42.97 3lix s LEU 31 CO 0.01 -0.84 0.05 -0.62 0.23 0.00 0.00 176.35 175.18 3lix s ASP 32 N 1.89 3.82 0.27 2.29 2.15 0.15 -4.81 116.67 122.42 3lix s ASP 32 Ca 0.37 -1.41 0.24 0.00 0.43 0.00 0.00 52.55 52.18 3lix s ASP 32 Cb -0.12 -0.95 0.98 0.00 -0.30 0.00 0.00 42.92 42.54 3lix s ASP 32 CO 0.19 -0.35 1.74 0.71 -0.17 0.00 0.00 175.17 177.28 3lix h THR 33 N 6.55 0.00 0.00 1.71 1.35 -1.94 -2.93 112.91 117.64 3lix h THR 33 Ca -0.14 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3lix h THR 33 Cb 1.05 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3lix h THR 33 CO 0.43 0.00 -0.20 1.23 -0.25 0.00 0.00 175.52 176.74 3lix h GLY 34 N 2.51 0.00 -7.52 5.82 0.00 -1.95 -3.45 103.07 98.48 3lix h GLY 34 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 3lix h GLY 34 CO 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 176.54 176.20 3lix s ALA 35 N -3.13 3.50 0.45 3.60 0.00 -1.11 -4.95 121.76 120.11 3lix s ALA 35 Ca 0.09 -1.25 0.12 0.00 0.00 0.00 0.00 51.96 50.92 3lix s ALA 35 Cb 0.12 -2.78 1.00 0.00 0.00 0.00 0.00 23.12 21.46 3lix s ALA 35 CO 0.64 -1.04 2.04 -0.44 0.00 0.00 0.00 175.76 176.96 3lix h ASP 36 N 8.47 0.17 -4.10 0.00 3.32 -1.87 0.12 116.42 122.52 3lix h ASP 36 Ca -0.30 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.52 3lix h ASP 36 Cb 1.15 -0.04 -0.26 0.00 0.22 0.00 0.00 39.33 40.40 3lix h ASP 36 CO 0.68 0.22 -0.71 -0.32 -1.72 0.00 0.00 179.24 177.38 3lix s MET 37 N -5.00 0.10 0.31 3.56 1.75 -1.26 -3.49 119.30 115.27 3lix s MET 37 Ca -0.06 -0.17 -0.24 0.00 -1.25 0.00 0.00 55.69 53.97 3lix s MET 37 Cb 0.16 0.04 -0.10 0.00 2.84 0.00 0.00 34.83 37.77 3lix s MET 37 CO 0.71 -0.02 0.89 0.99 -0.65 0.00 0.00 175.02 176.94 3lix s THR 38 N -0.42 4.31 -0.19 10.11 2.01 -1.26 -4.44 115.64 125.75 3lix s THR 38 Ca -0.05 1.67 0.01 0.00 0.31 0.00 0.00 61.69 63.63 3lix s THR 38 Cb -0.03 -3.94 0.03 0.00 0.01 0.00 0.00 72.50 68.57 3lix s THR 38 CO -0.00 0.11 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.16 3lix s VAL 39 N -1.65 2.03 -0.07 3.82 1.01 -0.11 -1.11 120.40 124.32 3lix s VAL 39 Ca 0.50 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 3lix s VAL 39 Cb -0.17 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 3lix s VAL 39 CO 0.22 0.45 -0.01 -0.63 0.00 0.00 0.00 175.10 175.13 3lix s ILE 40 N 1.28 4.19 0.58 2.22 -1.09 0.84 -0.76 121.20 128.45 3lix s ILE 40 Ca 0.03 -0.35 -0.19 0.00 -2.23 0.00 0.00 60.65 57.91 3lix s ILE 40 Cb -0.14 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.93 3lix s ILE 40 CO -0.12 0.56 1.16 -2.84 -1.23 0.00 0.00 174.94 172.47 3lix s PRO 41 N -1.00 3.13 0.40 2.79 0.02 -1.26 -0.64 135.00 138.44 3lix s PRO 41 Ca 0.14 1.67 0.22 0.00 0.02 0.00 0.00 61.00 63.05 3lix s PRO 41 Cb -0.11 -1.97 0.60 0.00 0.02 0.00 0.00 34.50 33.04 3lix s PRO 41 CO 0.04 -1.04 1.69 0.97 -0.33 0.00 0.00 177.00 178.32 3lix h ILE 42 N 0.93 0.49 0.00 2.83 2.10 -1.53 -3.05 117.51 119.29 3lix h ILE 42 Ca -0.50 -1.37 0.00 0.00 1.08 0.00 0.00 64.86 64.07 3lix h ILE 42 Cb 1.27 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.99 3lix h ILE 42 CO 0.56 0.24 0.04 0.00 -1.08 0.00 0.00 178.15 177.91 3lix n ALA 43 N -2.19 0.92 1.23 0.18 0.00 -1.26 -1.04 120.51 118.35 3lix n ALA 43 Ca 0.01 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3lix n ALA 43 Cb 0.53 -0.95 0.39 0.00 0.00 0.00 0.00 19.45 19.42 3lix n ALA 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lix n LEU 44 N -1.55 1.77 -4.44 0.00 4.77 -1.15 -4.91 117.00 111.49 3lix n LEU 44 Ca -0.00 -0.71 -0.30 0.00 -0.03 0.00 0.00 56.01 54.97 3lix n LEU 44 Cb 0.05 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 3lix n LEU 44 CO 0.01 0.35 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.56 3lix s PHE 45 N -1.83 2.50 0.90 -1.77 0.40 -0.21 -4.52 117.98 113.45 3lix s PHE 45 Ca 0.34 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 3lix s PHE 45 Cb 0.19 -1.42 0.13 0.00 0.51 0.00 0.00 43.02 42.42 3lix s PHE 45 CO 0.28 0.25 1.09 -1.54 0.70 0.00 0.00 175.22 176.01 3lix s SER 46 N -1.54 3.41 0.30 1.36 1.04 -1.26 -4.94 113.70 112.08 3lix s SER 46 Ca 0.15 1.62 -0.01 0.00 0.48 0.00 0.00 55.95 58.19 3lix s SER 46 Cb -0.10 -2.28 0.45 0.00 0.10 0.00 0.00 66.02 64.18 3lix s SER 46 CO 0.05 -2.70 1.90 0.28 0.98 0.00 0.00 173.24 173.76 3lix h SER 47 N -1.59 0.82 0.51 7.02 0.02 -1.96 -3.32 113.55 115.05 3lix h SER 47 Ca -0.49 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.35 3lix h SER 47 Cb 1.28 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3lix h SER 47 CO 0.52 0.70 -0.24 0.78 -1.14 0.00 0.00 176.83 177.45 3lix h ASN 48 N 0.91 -0.58 -1.32 3.07 2.35 -1.97 -3.47 115.58 114.57 3lix h ASN 48 Ca 0.22 0.02 -0.74 0.00 -0.55 0.00 0.00 56.30 55.25 3lix h ASN 48 Cb 0.10 0.15 0.05 0.00 0.05 0.00 0.00 38.32 38.67 3lix h ASN 48 CO -0.03 -0.27 0.31 0.35 -1.65 0.00 0.00 177.43 176.14 3lix n THR 49 N -4.64 0.02 -2.23 2.81 -2.24 -1.25 -4.90 114.28 101.85 3lix n THR 49 Ca -0.08 -0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.29 3lix n THR 49 Cb 0.27 -0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3lix n THR 49 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3lix s PRO 50 N 0.56 4.40 -0.05 -0.78 0.04 -1.26 -4.99 135.00 132.92 3lix s PRO 50 Ca 0.89 2.07 0.01 0.00 0.04 0.00 0.00 61.00 64.02 3lix s PRO 50 Cb -1.14 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 30.36 3lix s PRO 50 CO 0.54 -0.09 -0.06 -0.51 0.04 0.00 0.00 177.00 176.92 3lix s LEU 51 N -1.77 1.33 0.21 -3.56 1.43 -1.26 -4.14 118.68 110.93 3lix s LEU 51 Ca 0.48 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 3lix s LEU 51 Cb -0.37 -0.54 -0.09 0.00 0.03 0.00 0.00 46.19 45.22 3lix s LEU 51 CO 0.48 -0.05 1.20 -0.54 0.23 0.00 0.00 176.35 177.67 3lix s LYS 52 N 0.98 4.50 0.50 1.70 1.02 -0.74 -4.76 119.74 122.94 3lix s LYS 52 Ca -0.10 1.90 -0.21 0.00 0.02 0.00 0.00 55.97 57.58 3lix s LYS 52 Cb -0.14 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 33.89 3lix s LYS 52 CO -0.00 -0.06 1.16 -0.80 -0.92 0.00 0.00 175.35 174.74 3lix s ASN 53 N -0.08 5.90 -0.05 2.83 0.01 -1.26 0.22 114.94 122.52 3lix s ASN 53 Ca 0.51 2.28 -0.21 0.00 -0.71 0.00 0.00 52.86 54.74 3lix s ASN 53 Cb -0.33 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 38.77 3lix s ASN 53 CO 0.39 -1.10 0.46 0.28 -1.51 0.00 0.00 177.10 175.62 3lix s THR 54 N -1.62 0.03 -0.14 1.60 -1.32 -1.24 -4.78 115.64 108.17 3lix s THR 54 Ca 0.68 -0.25 -0.07 0.00 -1.21 0.00 0.00 61.69 60.85 3lix s THR 54 Cb -0.27 -0.76 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 3lix s THR 54 CO 0.32 -0.13 0.09 -0.55 -2.21 0.00 0.00 174.62 172.14 3lix s SER 55 N -1.07 5.96 -0.06 8.08 0.15 -1.26 -4.42 113.70 121.08 3lix s SER 55 Ca -0.11 0.28 0.01 0.00 0.70 0.00 0.00 55.95 56.83 3lix s SER 55 Cb -0.03 -1.93 0.02 0.00 -1.71 0.00 0.00 66.02 62.36 3lix s SER 55 CO 0.06 0.31 -0.08 -0.69 1.20 0.00 0.00 173.24 174.05 3lix s VAL 56 N -0.46 0.79 -0.50 4.45 1.01 -0.50 -4.98 120.40 120.21 3lix s VAL 56 Ca 0.11 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.68 3lix s VAL 56 Cb -0.12 -0.78 0.11 0.00 0.00 0.00 0.00 36.38 35.59 3lix s VAL 56 CO 0.02 0.29 0.43 -0.22 0.00 0.00 0.00 175.10 175.61 3lix s LEU 57 N 0.91 5.86 0.00 3.92 0.20 -1.26 -1.71 118.68 126.59 3lix s LEU 57 Ca -0.11 -1.63 0.00 0.00 0.69 0.00 0.00 54.13 53.09 3lix s LEU 57 Cb -0.15 -2.16 0.00 0.00 -0.43 0.00 0.00 46.19 43.45 3lix s LEU 57 CO 0.01 -0.74 0.00 0.61 -0.29 0.00 0.00 176.35 175.94 3lix n GLY 58 N 5.17 3.69 0.34 7.98 0.00 -1.11 -4.97 105.19 116.28 3lix n GLY 58 Ca -0.12 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 0.77 1.43 -0.18 4.61 0.00 -2.03 -2.08 119.26 121.78 3lix h ALA 59 Ca 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3lix h ALA 59 Cb 0.00 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 3lix h ALA 59 CO 0.00 0.49 -0.11 0.78 0.00 0.00 0.00 179.25 180.41 3lix h GLY 60 N 0.98 0.04 0.00 0.00 0.00 -1.99 -3.49 103.07 98.61 3lix h GLY 60 Ca 0.25 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.72 3lix h GLY 60 CO -0.05 -0.13 0.00 0.61 0.00 0.00 0.00 176.54 176.98 3lix n GLY 61 N -1.26 0.81 3.76 4.60 0.00 -0.78 -5.10 105.19 107.22 3lix n GLY 61 Ca -0.02 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 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 -2.00 3.57 -0.28 1.61 2.00 -1.26 -2.76 119.66 120.54 3lix s GLN 62 Ca 0.00 2.34 -0.09 0.00 -2.00 0.00 0.00 55.36 55.60 3lix s GLN 62 Cb 0.00 -2.56 0.12 0.00 0.80 0.00 0.00 33.01 31.37 3lix s GLN 62 CO 0.00 -0.88 0.60 -0.08 -0.50 0.00 0.00 175.29 174.43 3lix s THR 63 N -1.24 -0.90 -0.12 -0.34 -1.32 -0.69 -4.99 115.64 106.04 3lix s THR 63 Ca 0.63 0.04 0.20 0.00 -1.21 0.00 0.00 61.69 61.35 3lix s THR 63 Cb -0.42 -0.93 -0.24 0.00 -1.51 0.00 0.00 72.50 69.40 3lix s THR 63 CO 0.53 0.02 0.48 0.00 -2.21 0.00 0.00 174.62 173.44 3lix n GLN 64 N 5.41 0.66 0.07 7.08 0.00 -1.26 -1.41 117.38 127.91 3lix n GLN 64 Ca -0.11 -0.02 0.13 0.00 0.00 0.00 0.00 57.00 57.00 3lix n GLN 64 Cb 0.49 -1.61 0.48 0.00 0.00 0.00 0.00 30.24 29.60 3lix n GLN 64 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 3lix n ASP 65 N -2.59 0.52 -0.10 2.61 5.75 -1.26 -4.44 116.55 117.04 3lix n ASP 65 Ca -0.14 0.54 -0.11 0.00 -0.01 0.00 0.00 54.79 55.07 3lix n ASP 65 Cb 0.81 -0.67 -0.13 0.00 -1.03 0.00 0.00 41.12 40.09 3lix n ASP 65 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 3lix n HIS 66 N -1.98 0.00 -4.62 2.11 -0.00 -1.26 -4.94 115.22 104.53 3lix n HIS 66 Ca 0.06 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.95 3lix n HIS 66 Cb 0.40 -0.91 -0.14 0.00 -0.12 0.00 0.00 29.99 29.22 3lix n HIS 66 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 3lix s PHE 67 N -2.45 2.27 0.49 1.57 0.08 -1.26 -2.76 117.98 115.92 3lix s PHE 67 Ca -0.16 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.54 3lix s PHE 67 Cb 0.06 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 3lix s PHE 67 CO 0.69 0.23 0.14 0.15 -0.10 0.00 0.00 175.22 176.34 3lix s LYS 68 N -1.67 2.19 -0.03 0.44 -0.14 -0.59 -3.67 119.74 116.27 3lix s LYS 68 Ca 0.12 -2.16 0.07 0.00 -1.36 0.00 0.00 55.97 52.64 3lix s LYS 68 Cb -0.10 -1.78 -0.02 0.00 -1.68 0.00 0.00 37.83 34.26 3lix s LYS 68 CO 0.04 -0.34 -0.24 -1.17 -0.76 0.00 0.00 175.35 172.88 3lix s LEU 69 N -3.97 2.04 0.37 3.17 2.96 0.13 -0.64 118.68 122.75 3lix s LEU 69 Ca 0.23 -0.45 -0.27 0.00 -0.22 0.00 0.00 54.13 53.42 3lix s LEU 69 Cb 0.02 -1.26 -0.09 0.00 0.50 0.00 0.00 46.19 45.36 3lix s LEU 69 CO 0.13 0.28 1.22 0.42 -1.32 0.00 0.00 176.35 177.08 3lix s THR 70 N -0.43 2.98 0.06 3.68 -4.23 -0.85 -1.79 115.64 115.06 3lix s THR 70 Ca 0.05 0.89 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 3lix s THR 70 Cb -0.11 -3.53 -0.28 0.00 1.34 0.00 0.00 72.50 69.92 3lix s THR 70 CO 0.00 0.14 1.10 0.28 -0.54 0.00 0.00 174.62 175.61 3lix h SER 71 N 2.99 0.42 -2.44 3.99 0.02 -1.94 -3.45 113.55 113.14 3lix h SER 71 Ca -0.49 -0.47 -0.60 0.00 -0.84 0.00 0.00 61.79 59.39 3lix h SER 71 Cb 1.23 -0.14 -0.13 0.00 0.14 0.00 0.00 62.40 63.50 3lix h SER 71 CO 0.64 1.37 -0.73 -0.76 -1.14 0.00 0.00 176.83 176.21 3lix s LEU 72 N -7.12 2.80 1.07 5.07 1.43 -1.26 -5.08 118.68 115.58 3lix s LEU 72 Ca -0.05 -0.84 -0.13 0.00 -1.03 0.00 0.00 54.13 52.08 3lix s LEU 72 Cb 0.07 -1.36 0.17 0.00 0.03 0.00 0.00 46.19 45.10 3lix s LEU 72 CO 0.88 0.05 0.72 -2.65 0.23 0.00 0.00 176.35 175.58 3lix n PRO 73 N -0.50 -1.46 -4.62 1.29 -0.02 -1.24 -4.76 135.00 123.69 3lix n PRO 73 Ca -0.07 -0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 60.79 3lix n PRO 73 Cb 0.59 -2.06 -0.15 0.00 -0.02 0.00 0.00 33.50 31.85 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 -2.42 1.09 -0.19 -1.45 1.01 -0.62 -4.68 120.40 113.15 3lix s VAL 74 Ca 0.63 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 3lix s VAL 74 Cb -0.21 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 3lix s VAL 74 CO 0.64 0.32 -0.01 -0.76 0.00 0.00 0.00 175.10 175.29 3lix s LEU 75 N -0.10 3.24 -0.17 3.92 1.02 -0.26 -1.10 118.68 125.23 3lix s LEU 75 Ca 0.01 -0.20 -0.00 0.00 0.02 0.00 0.00 54.13 53.96 3lix s LEU 75 Cb -0.08 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.32 3lix s LEU 75 CO 0.00 0.08 -0.15 -0.63 0.02 0.00 0.00 176.35 175.68 3lix s ILE 76 N 0.91 2.65 -0.19 -0.59 1.01 -0.17 0.21 121.20 125.02 3lix s ILE 76 Ca 0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 59.84 3lix s ILE 76 Cb -0.14 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 3lix s ILE 76 CO 0.02 0.51 -0.01 -0.13 0.00 0.00 0.00 174.94 175.33 3lix s ARG 77 N 0.96 3.64 0.61 2.79 0.52 -0.38 -0.03 118.95 127.06 3lix s ARG 77 Ca -0.02 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.61 3lix s ARG 77 Cb -0.15 -3.05 0.02 0.00 0.52 0.00 0.00 34.95 32.29 3lix s ARG 77 CO -0.02 0.06 0.92 -0.51 0.02 0.00 0.00 175.30 175.76 3lix s LEU 78 N 0.86 3.15 0.19 2.53 1.43 -1.26 -0.91 118.68 124.67 3lix s LEU 78 Ca 0.01 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.60 3lix s LEU 78 Cb -0.14 -3.40 0.17 0.00 0.03 0.00 0.00 46.19 42.85 3lix s LEU 78 CO 0.02 -1.18 1.80 -0.65 0.23 0.00 0.00 176.35 176.57 3lix h PRO 79 N -0.25 0.60 0.00 1.29 0.11 -1.99 -3.33 132.00 128.43 3lix h PRO 79 Ca -0.45 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3lix h PRO 79 Cb 1.27 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3lix h PRO 79 CO 0.60 0.40 -0.04 0.27 -0.21 0.00 0.00 178.00 179.02 3lix h PHE 80 N 0.62 0.00 -2.46 0.65 -0.00 -1.95 -3.46 116.94 110.34 3lix h PHE 80 Ca 0.25 0.00 -0.60 0.00 -0.00 0.00 0.00 57.97 57.62 3lix h PHE 80 Cb 0.11 0.00 0.08 0.00 -0.00 0.00 0.00 35.95 36.14 3lix h PHE 80 CO -0.08 0.09 0.53 0.54 -0.00 0.00 0.00 178.31 179.39 3lix n ARG 81 N -4.75 1.80 -0.01 6.09 5.12 -1.25 -4.95 116.66 118.71 3lix n ARG 81 Ca -0.02 0.64 -0.19 0.00 -1.93 0.00 0.00 57.85 56.36 3lix n ARG 81 Cb 0.06 -2.26 -0.14 0.00 -1.16 0.00 0.00 32.46 28.96 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 2.97 1.36 -3.88 0.55 1.35 -1.90 -3.38 112.91 109.98 3lix h THR 82 Ca -0.45 -2.40 -0.50 0.00 -0.55 0.00 0.00 66.41 62.51 3lix h THR 82 Cb 1.29 2.98 0.02 0.00 -1.73 0.00 0.00 68.15 70.71 3lix h THR 82 CO 0.75 0.63 0.46 0.42 -0.25 0.00 0.00 175.52 177.53 3lix s THR 83 N -2.38 3.51 0.22 6.82 -4.23 -1.26 -4.98 115.64 113.35 3lix s THR 83 Ca -0.19 1.35 -0.23 0.00 -1.18 0.00 0.00 61.69 61.44 3lix s THR 83 Cb 0.02 -3.79 -0.08 0.00 1.34 0.00 0.00 72.50 69.98 3lix s THR 83 CO 0.75 0.19 0.79 -2.16 -0.54 0.00 0.00 174.62 173.65 3lix s PRO 84 N -1.95 4.44 0.33 3.99 0.04 -1.26 -4.74 135.00 135.86 3lix s PRO 84 Ca 0.51 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 3lix s PRO 84 Cb -0.28 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 3lix s PRO 84 CO 0.36 0.44 1.15 0.42 0.04 0.00 0.00 177.00 179.41 3lix s ILE 85 N -1.40 3.29 -0.18 0.56 1.01 0.96 -4.86 121.20 120.59 3lix s ILE 85 Ca 0.42 1.21 0.01 0.00 0.00 0.00 0.00 60.65 62.29 3lix s ILE 85 Cb -0.20 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.57 3lix s ILE 85 CO 0.24 0.22 -0.14 -0.69 0.00 0.00 0.00 174.94 174.57 3lix s VAL 86 N -1.28 1.74 -0.30 2.92 1.01 -1.26 -1.00 120.40 122.24 3lix s VAL 86 Ca 0.50 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 3lix s VAL 86 Cb -0.32 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.40 3lix s VAL 86 CO 0.41 0.33 0.02 -0.76 0.00 0.00 0.00 175.10 175.10 3lix s LEU 87 N 1.39 3.87 0.35 3.92 1.43 -0.26 -4.94 118.68 124.44 3lix s LEU 87 Ca 0.02 -1.12 0.16 0.00 -1.03 0.00 0.00 54.13 52.16 3lix s LEU 87 Cb -0.15 -1.75 1.14 0.00 0.03 0.00 0.00 46.19 45.46 3lix s LEU 87 CO -0.10 -0.25 1.66 0.74 0.23 0.00 0.00 176.35 178.63 3lix h THR 88 N 6.29 0.26 -1.95 5.49 2.02 -1.94 -1.64 112.91 121.45 3lix h THR 88 Ca -0.24 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 3lix h THR 88 Cb 1.08 -0.04 -0.20 0.00 -1.74 0.00 0.00 68.15 67.25 3lix h THR 88 CO 0.56 0.05 0.22 -0.55 0.37 0.00 0.00 175.52 176.17 3lix s SER 89 N -4.85 -0.64 0.28 4.18 0.15 -1.26 -3.59 113.70 107.98 3lix s SER 89 Ca -0.10 0.76 -0.15 0.00 0.70 0.00 0.00 55.95 57.17 3lix s SER 89 Cb 0.30 0.61 0.01 0.00 -1.71 0.00 0.00 66.02 65.24 3lix s SER 89 CO 0.79 -0.54 0.59 0.00 1.20 0.00 0.00 173.24 175.27 3lix s LEU 91 N -3.01 4.02 -0.27 0.00 1.43 -0.27 -2.01 118.68 118.56 3lix s LEU 91 Ca 0.19 1.28 0.02 0.00 -1.03 0.00 0.00 54.13 54.59 3lix s LEU 91 Cb -0.03 -4.09 0.07 0.00 0.03 0.00 0.00 46.19 42.17 3lix s LEU 91 CO 0.10 -0.25 -0.04 -0.69 0.23 0.00 0.00 176.35 175.70 3lix s VAL 92 N -2.06 1.94 -0.04 -1.59 1.01 0.19 -0.11 120.40 119.75 3lix s VAL 92 Ca 0.54 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3lix s VAL 92 Cb -0.10 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 3lix s VAL 92 CO 0.19 -0.22 1.42 -0.62 0.00 0.00 0.00 175.10 175.88 3lix s ASP 93 N 1.17 6.84 -0.01 3.32 2.15 0.18 -1.54 116.67 128.78 3lix s ASP 93 Ca -0.02 2.07 0.21 0.00 0.43 0.00 0.00 52.55 55.23 3lix s ASP 93 Cb -0.19 -2.55 -0.25 0.00 -0.30 0.00 0.00 42.92 39.62 3lix s ASP 93 CO -0.07 -0.76 0.55 0.35 -0.17 0.00 0.00 175.17 175.07 3lix n THR 94 N 4.91 0.41 -0.02 1.71 -2.24 -1.11 -1.41 114.28 116.54 3lix n THR 94 Ca 0.14 -0.58 -0.01 0.00 -2.27 0.00 0.00 64.05 61.34 3lix n THR 94 Cb 0.44 -0.19 -0.04 0.00 -2.10 0.00 0.00 70.33 68.43 3lix n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3lix n LYS 95 N -2.46 1.97 0.00 -0.78 5.02 -1.26 -4.87 118.16 115.78 3lix n LYS 95 Ca -0.08 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 3lix n LYS 95 Cb 0.68 -1.14 0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3lix n LYS 95 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3lix n ASN 96 N -2.01 0.22 -1.24 4.39 5.15 -1.26 -5.12 115.26 115.39 3lix n ASN 96 Ca -0.06 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.88 3lix n ASN 96 Cb 0.48 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.71 3lix n ASN 96 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3lix n ASN 97 N 0.00 -0.86 -4.34 1.20 5.15 -1.26 -4.74 115.26 110.41 3lix n ASN 97 Ca 0.00 -1.64 -0.18 0.00 -0.60 0.00 0.00 54.58 52.17 3lix n ASN 97 Cb 0.00 0.30 -0.10 0.00 -0.53 0.00 0.00 39.78 39.45 3lix n ASN 97 CO 0.00 0.00 0.00 -1.66 1.40 0.00 0.00 177.26 177.00 3lix s TRP 98 N 0.02 1.62 0.17 1.20 -2.14 -1.26 -4.90 118.94 113.65 3lix s TRP 98 Ca 0.02 -0.81 0.02 0.00 2.66 0.00 0.00 56.10 57.98 3lix s TRP 98 Cb 0.08 -0.91 -0.04 0.00 -3.10 0.00 0.00 33.47 29.51 3lix s TRP 98 CO -0.02 0.09 0.32 0.00 -2.66 0.00 0.00 176.95 174.67 3lix s ALA 99 N -3.27 3.93 -0.21 2.67 0.00 -1.18 -4.40 121.76 119.30 3lix s ALA 99 Ca 0.26 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3lix s ALA 99 Cb 0.04 -1.84 0.04 0.00 0.00 0.00 0.00 23.12 21.36 3lix s ALA 99 CO 0.08 0.50 -0.13 0.42 0.00 0.00 0.00 175.76 176.63 3lix s ILE 100 N -1.79 1.93 -0.56 0.00 1.01 0.06 -1.22 121.20 120.62 3lix s ILE 100 Ca 0.36 -1.20 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 3lix s ILE 100 Cb -0.11 -1.94 0.03 0.00 0.01 0.00 0.00 42.46 40.45 3lix s ILE 100 CO 0.29 0.21 1.16 -0.63 0.00 0.00 0.00 174.94 175.96 3lix s ILE 101 N 1.27 4.08 0.58 2.92 -1.09 0.41 -0.93 121.20 128.43 3lix s ILE 101 Ca -0.02 0.89 0.08 0.00 -2.23 0.00 0.00 60.65 59.37 3lix s ILE 101 Cb -0.17 -4.69 0.08 0.00 -1.58 0.00 0.00 42.46 36.11 3lix s ILE 101 CO -0.08 -1.27 0.79 -0.83 -1.23 0.00 0.00 174.94 172.32 3lix s GLY 102 N 2.87 1.75 0.61 6.18 0.00 -1.26 -0.68 107.32 116.80 3lix s GLY 102 Ca 0.42 -2.05 0.32 0.00 0.00 0.00 0.00 44.72 43.41 3lix s GLY 102 CO 0.26 -1.60 2.12 3.21 0.00 0.00 0.00 173.10 177.08 3lix h ARG 103 N 0.14 0.00 -0.51 2.90 3.08 -0.87 -0.16 114.38 118.96 3lix h ARG 103 Ca -0.32 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.77 3lix h ARG 103 Cb 1.29 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.30 3lix h ARG 103 CO 0.41 0.00 0.28 0.38 -1.07 0.00 0.00 179.97 179.97 3lix h ASP 104 N 0.00 0.44 0.03 7.04 2.03 -1.79 -1.51 116.42 122.66 3lix h ASP 104 Ca 0.06 0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 56.31 3lix h ASP 104 Cb 0.43 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 38.86 3lix h ASP 104 CO -0.00 0.31 -0.25 0.00 -1.03 0.00 0.00 179.24 178.26 3lix h ALA 105 N 1.25 -0.01 -1.02 4.15 0.00 -1.44 -3.29 119.26 118.90 3lix h ALA 105 Ca 0.21 -0.52 0.29 0.00 0.00 0.00 0.00 54.91 54.89 3lix h ALA 105 Cb 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3lix h ALA 105 CO -0.12 0.10 0.73 -0.07 0.00 0.00 0.00 179.25 179.89 3lix h LEU 106 N -0.70 0.02 -0.22 0.00 3.38 -1.17 0.20 115.31 116.83 3lix h LEU 106 Ca -0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 3lix h LEU 106 Cb 1.12 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3lix h LEU 106 CO 0.05 0.01 -0.54 -0.61 0.09 0.00 0.00 178.44 177.43 3lix h GLN 107 N 0.02 0.75 0.00 1.13 4.15 -1.35 0.17 115.11 119.98 3lix h GLN 107 Ca 0.49 -0.52 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 3lix h GLN 107 Cb 1.91 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 29.68 3lix h GLN 107 CO -0.02 1.14 -0.07 1.96 -1.93 0.00 0.00 178.83 179.91 3lix h GLN 108 N 0.47 0.00 -0.64 1.69 4.20 -0.68 -2.87 115.11 117.28 3lix h GLN 108 Ca -0.01 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.33 3lix h GLN 108 Cb 1.15 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 28.72 3lix h GLN 108 CO 0.12 0.07 0.14 0.00 -0.67 0.00 0.00 178.83 178.49 3lix n GLN 110 N -1.06 -2.87 -2.36 0.00 1.13 -1.09 -4.93 117.38 106.21 3lix n GLN 110 Ca 0.45 0.34 -0.39 0.00 -1.94 0.00 0.00 57.00 55.46 3lix n GLN 110 Cb 1.13 -5.03 -0.03 0.00 0.11 0.00 0.00 30.24 26.42 3lix n GLN 110 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3lix s GLY 111 N -2.94 2.93 0.13 1.08 0.00 0.05 -5.05 107.32 103.52 3lix s GLY 111 Ca 0.56 0.95 -0.02 0.00 0.00 0.00 0.00 44.72 46.22 3lix s GLY 111 CO 0.69 1.51 0.08 -1.34 0.00 0.00 0.00 173.10 174.04 3lix s VAL 112 N -1.32 0.10 -0.18 1.40 -7.23 -1.26 -4.77 120.40 107.13 3lix s VAL 112 Ca 0.52 -1.85 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3lix s VAL 112 Cb -0.31 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3lix s VAL 112 CO 0.40 -0.45 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.39 3lix s LEU 113 N -3.04 2.48 -0.20 1.32 0.20 -1.26 -5.10 118.68 113.08 3lix s LEU 113 Ca 0.23 -0.51 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 3lix s LEU 113 Cb 0.07 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.22 3lix s LEU 113 CO 0.01 0.02 0.00 -0.47 -0.29 0.00 0.00 176.35 175.63 3lix s TYR 114 N 1.18 3.04 -0.31 5.38 5.04 -1.26 -5.07 117.35 125.34 3lix s TYR 114 Ca 0.02 -0.48 -0.02 0.00 -2.44 0.00 0.00 57.07 54.15 3lix s TYR 114 Cb -0.14 -2.10 0.05 0.00 0.35 0.00 0.00 41.96 40.13 3lix s TYR 114 CO -0.05 -0.26 0.01 -0.51 -1.34 0.00 0.00 175.55 173.40 3lix s LEU 115 N 1.06 3.99 0.00 6.97 1.43 -1.26 -5.13 118.68 125.75 3lix s LEU 115 Ca 0.02 -1.34 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 3lix s LEU 115 Cb -0.14 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.38 3lix s LEU 115 CO 0.02 -0.28 0.51 -2.65 0.23 0.00 0.00 176.35 174.18