#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xne s LYS 2 N 0.00 2.69 -0.07 2.12 2.20 -1.26 -4.75 119.74 120.67 1xne s LYS 2 Ca 0.00 -0.13 0.05 0.00 -0.36 0.00 0.00 55.97 55.53 1xne s LYS 2 Cb 0.00 -2.26 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1xne s LYS 2 CO 0.00 -0.85 -0.25 0.08 -0.36 0.00 0.00 175.35 173.98 1xne s VAL 3 N -3.04 2.05 -0.14 4.02 1.01 -1.25 0.87 120.40 123.92 1xne s VAL 3 Ca 0.56 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1xne s VAL 3 Cb -0.11 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1xne s VAL 3 CO 0.44 0.57 -0.14 -0.31 0.00 0.00 0.00 175.10 175.66 1xne s TYR 4 N -0.00 2.07 -0.82 5.22 1.51 0.19 -4.98 117.35 120.53 1xne s TYR 4 Ca -0.09 -1.11 -0.17 0.00 -1.01 0.00 0.00 57.07 54.69 1xne s TYR 4 Cb -0.15 -1.53 0.15 0.00 -0.11 0.00 0.00 41.96 40.32 1xne s TYR 4 CO 0.05 -0.61 0.92 1.03 -1.11 0.00 0.00 175.55 175.83 1xne s ARG 5 N 1.40 3.47 -0.25 -0.62 0.52 -1.26 0.20 118.95 122.41 1xne s ARG 5 Ca 0.02 -1.87 -0.23 0.00 -0.52 0.00 0.00 55.73 53.14 1xne s ARG 5 Cb -0.13 -4.61 -0.01 0.00 0.52 0.00 0.00 34.95 30.72 1xne s ARG 5 CO -0.08 -1.58 0.76 -0.51 0.02 0.00 0.00 175.30 173.91 1xne s LEU 6 N 1.93 4.07 -0.33 2.53 1.43 0.45 -4.87 118.68 123.89 1xne s LEU 6 Ca 0.23 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.97 1xne s LEU 6 Cb -0.11 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 43.06 1xne s LEU 6 CO -0.06 -0.47 1.03 -0.31 0.23 0.00 0.00 176.35 176.78 1xne s TYR 7 N 2.73 3.14 0.32 0.29 2.02 -1.26 0.44 117.35 125.02 1xne s TYR 7 Ca 0.32 1.09 0.04 0.00 -0.37 0.00 0.00 57.07 58.16 1xne s TYR 7 Cb -0.15 -3.65 -0.06 0.00 -0.40 0.00 0.00 41.96 37.70 1xne s TYR 7 CO 0.08 -0.76 0.04 -0.51 -1.57 0.00 0.00 175.55 172.83 1xne s LEU 8 N 3.57 2.26 0.39 -1.29 1.02 -1.26 -4.89 118.68 118.48 1xne s LEU 8 Ca 0.43 -1.35 0.01 0.00 0.02 0.00 0.00 54.13 53.24 1xne s LEU 8 Cb -0.12 -0.44 -0.02 0.00 0.02 0.00 0.00 46.19 45.63 1xne s LEU 8 CO 0.16 -0.57 0.59 -0.54 0.02 0.00 0.00 176.35 176.02 1xne s LYS 9 N -3.86 3.27 0.45 1.70 1.02 -1.26 -4.73 119.74 116.33 1xne s LYS 9 Ca 0.35 -0.46 0.12 0.00 0.02 0.00 0.00 55.97 56.01 1xne s LYS 9 Cb 0.08 -2.63 1.01 0.00 -0.52 0.00 0.00 37.83 35.77 1xne s LYS 9 CO 0.15 -0.04 2.04 -0.44 -0.92 0.00 0.00 175.35 176.14 1xne h ASP 10 N 0.61 0.15 0.01 2.83 3.32 -2.01 1.44 116.42 122.77 1xne h ASP 10 Ca -0.48 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 1xne h ASP 10 Cb 1.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1xne h ASP 10 CO 0.59 0.20 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.98 1xne h GLU 11 N 0.17 -0.01 0.10 3.56 4.39 -1.99 0.12 114.58 120.91 1xne h GLU 11 Ca 0.04 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1xne h GLU 11 Cb 0.15 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1xne h GLU 11 CO 0.00 0.12 -0.64 1.88 -1.16 0.00 0.00 179.01 179.21 1xne h TYR 12 N -0.14 0.46 -0.75 4.33 0.05 -1.82 -3.31 116.97 115.79 1xne h TYR 12 Ca -0.00 -0.32 0.12 0.00 0.05 0.00 0.00 58.73 58.58 1xne h TYR 12 Cb 0.14 -0.02 -0.08 0.00 1.01 0.00 0.00 36.73 37.77 1xne h TYR 12 CO -0.03 1.23 0.35 1.25 -1.05 0.00 0.00 178.16 179.90 1xne h LEU 13 N -0.44 0.42 -0.96 3.88 5.85 0.19 0.61 115.31 124.86 1xne h LEU 13 Ca -0.11 0.08 0.28 0.00 0.84 0.00 0.00 57.88 58.97 1xne h LEU 13 Cb 1.48 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.38 1xne h LEU 13 CO 0.12 0.21 0.47 -0.33 -0.34 0.00 0.00 178.44 178.56 1xne h GLU 14 N 0.56 0.32 -0.52 1.25 5.08 -0.83 0.56 114.58 121.00 1xne h GLU 14 Ca 0.39 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1xne h GLU 14 Cb 0.49 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1xne h GLU 14 CO -0.33 0.21 0.26 0.52 -1.00 0.00 0.00 179.01 178.68 1xne h MET 15 N 0.33 0.74 -0.81 2.33 2.86 -0.99 -1.16 114.93 118.23 1xne h MET 15 Ca 0.66 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 58.19 1xne h MET 15 Cb 1.41 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.89 1xne h MET 15 CO -0.60 0.60 0.48 0.28 1.06 0.00 0.00 176.91 178.73 1xne h VAL 16 N 0.69 1.23 -0.22 -2.22 2.07 0.16 -1.42 116.25 116.55 1xne h VAL 16 Ca 0.18 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xne h VAL 16 Cb 0.09 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 1xne h VAL 16 CO -0.03 0.24 0.11 0.11 0.02 0.00 0.00 177.57 178.03 1xne h LYS 17 N 1.11 0.30 -0.08 1.57 1.79 -0.45 -1.55 116.57 119.26 1xne h LYS 17 Ca 0.29 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 1xne h LYS 17 Cb -0.03 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1xne h LYS 17 CO -0.05 0.30 0.07 0.66 -1.08 0.00 0.00 179.45 179.34 1xne h SER 18 N 0.23 0.00 0.00 0.86 4.64 -0.58 -3.46 113.55 115.24 1xne h SER 18 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xne h SER 18 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1xne h SER 18 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1xne n GLY 19 N -1.47 1.37 0.17 -0.77 0.00 -0.58 -4.54 105.19 99.37 1xne n GLY 19 Ca -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 1xne n GLY 19 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xne h LYS 20 N 3.09 -0.10 -5.87 1.61 1.57 -1.71 -3.38 116.57 111.77 1xne h LYS 20 Ca 0.00 0.01 -0.58 0.00 -1.87 0.00 0.00 60.65 58.21 1xne h LYS 20 Cb 0.00 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xne h LYS 20 CO 0.00 -0.07 1.52 1.17 -0.57 0.00 0.00 179.45 181.50 1xne n LYS 21 N -5.28 1.48 0.00 3.15 3.00 -1.15 -4.66 118.16 114.70 1xne n LYS 21 Ca -0.02 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.63 1xne n LYS 21 Cb 0.20 -3.04 0.00 0.00 0.00 0.00 0.00 35.03 32.18 1xne n LYS 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1xne n ARG 22 N 8.68 0.00 -3.90 1.64 3.00 -1.26 -4.78 116.66 120.04 1xne n ARG 22 Ca 0.35 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.84 1xne n ARG 22 Cb 0.40 -0.80 -0.14 0.00 0.00 0.00 0.00 32.46 31.93 1xne n ARG 22 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1xne s ILE 23 N -1.86 3.15 -0.35 0.55 1.01 -1.26 -2.32 121.20 120.12 1xne s ILE 23 Ca 0.00 -1.06 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 1xne s ILE 23 Cb 0.00 -2.67 0.02 0.00 0.01 0.00 0.00 42.46 39.83 1xne s ILE 23 CO 0.00 0.08 0.16 -1.83 0.00 0.00 0.00 174.94 173.35 1xne s GLU 24 N 1.34 2.86 -0.46 2.79 -1.05 -0.84 -4.23 118.70 119.11 1xne s GLU 24 Ca -0.01 -1.04 -0.09 0.00 -0.15 0.00 0.00 54.97 53.68 1xne s GLU 24 Cb -0.18 -3.61 0.11 0.00 -0.44 0.00 0.00 34.13 30.01 1xne s GLU 24 CO -0.02 -0.63 0.32 0.08 0.95 0.00 0.00 175.26 175.96 1xne s VAL 25 N 1.52 4.20 -0.41 1.83 1.01 -1.26 -3.19 120.40 124.10 1xne s VAL 25 Ca 0.01 -1.69 0.11 0.00 0.00 0.00 0.00 61.98 60.41 1xne s VAL 25 Cb -0.19 -3.72 0.36 0.00 0.00 0.00 0.00 36.38 32.83 1xne s VAL 25 CO 0.05 -0.71 0.81 -1.14 0.00 0.00 0.00 175.10 174.11 1xne n ARG 26 N 4.91 1.55 -1.39 2.72 0.63 -1.26 -5.00 116.66 118.81 1xne n ARG 26 Ca -0.08 -3.72 0.16 0.00 -0.92 0.00 0.00 57.85 53.29 1xne n ARG 26 Cb 0.41 -1.80 -0.09 0.00 0.45 0.00 0.00 32.46 31.43 1xne n ARG 26 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1xne n VAL 27 N 0.11 -0.98 -2.20 5.15 0.31 -1.26 -4.42 118.33 115.04 1xne n VAL 27 Ca 0.25 0.95 -0.39 0.00 -0.01 0.00 0.00 64.34 65.14 1xne n VAL 27 Cb 0.62 -1.42 0.01 0.00 -0.91 0.00 0.00 33.84 32.13 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xne n ALA 28 N -4.22 6.38 -1.04 3.52 0.00 -1.26 -4.68 120.51 119.21 1xne n ALA 28 Ca -0.09 -4.20 -0.36 0.00 0.00 0.00 0.00 53.44 48.79 1xne n ALA 28 Cb 0.66 -2.25 0.06 0.00 0.00 0.00 0.00 19.45 17.92 1xne n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xne n TYR 29 N 0.28 -3.00 1.26 0.00 4.02 -1.26 -4.24 117.16 114.23 1xne n TYR 29 Ca 0.52 0.19 0.12 0.00 -0.01 0.00 0.00 57.90 58.71 1xne n TYR 29 Cb 0.28 -1.66 0.63 0.00 -0.02 0.00 0.00 39.34 38.58 1xne n TYR 29 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1xne n PRO 30 N 0.62 0.51 0.00 -0.72 -0.04 -1.26 0.78 135.00 134.89 1xne n PRO 30 Ca 0.04 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1xne n PRO 30 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 1xne n PRO 30 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1xne n GLN 31 N -1.16 1.60 -0.01 0.54 7.27 -1.26 -4.55 117.38 119.81 1xne n GLN 31 Ca 0.14 -0.52 -0.02 0.00 0.07 0.00 0.00 57.00 56.66 1xne n GLN 31 Cb 0.14 -0.96 -0.01 0.00 2.41 0.00 0.00 30.24 31.82 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xne n LEU 32 N -0.18 0.36 -0.02 1.69 4.77 -0.91 -4.62 117.00 118.09 1xne n LEU 32 Ca 0.02 0.03 0.24 0.00 -0.03 0.00 0.00 56.01 56.27 1xne n LEU 32 Cb 0.10 -0.07 0.70 0.00 -2.33 0.00 0.00 43.42 41.81 1xne n LEU 32 CO 0.05 0.08 1.22 0.07 -1.33 0.00 0.00 177.39 177.48 1xne h LYS 33 N -0.08 0.00 0.00 3.23 5.09 0.19 1.49 116.57 126.49 1xne h LYS 33 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.66 1xne h LYS 33 Cb 1.05 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.38 1xne h LYS 33 CO -0.03 0.00 -0.10 0.22 -2.09 0.00 0.00 179.45 177.45 1xne h ASP 34 N 0.00 0.00 -2.15 7.07 3.58 -1.80 -3.44 116.42 119.68 1xne h ASP 34 Ca 0.30 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.17 1xne h ASP 34 Cb 1.56 0.00 0.19 0.00 1.72 0.00 0.00 39.33 42.80 1xne h ASP 34 CO -0.00 0.10 -1.22 0.00 -2.88 0.00 0.00 179.24 175.24 1xne n ILE 35 N -4.34 0.26 -3.56 2.25 0.13 0.51 -4.99 119.36 109.62 1xne n ILE 35 Ca -0.03 -0.49 -0.11 0.00 -1.10 0.00 0.00 62.75 61.02 1xne n ILE 35 Cb 0.18 -0.10 -0.04 0.00 -0.84 0.00 0.00 39.64 38.84 1xne n ILE 35 CO 0.00 0.00 0.00 -1.59 2.80 0.00 0.00 176.55 177.76 1xne s LYS 36 N -1.44 1.13 0.25 9.51 -2.85 -1.26 -5.02 119.74 120.06 1xne s LYS 36 Ca 0.54 -0.59 -0.31 0.00 -1.00 0.00 0.00 55.97 54.61 1xne s LYS 36 Cb -0.41 0.51 -0.12 0.00 -2.06 0.00 0.00 37.83 35.75 1xne s LYS 36 CO 0.69 -0.46 1.60 -2.13 0.10 0.00 0.00 175.35 175.15 1xne n ARG 37 N -0.22 2.57 0.00 1.78 0.63 -1.26 -1.79 116.66 118.38 1xne n ARG 37 Ca -0.17 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.68 1xne n ARG 37 Cb 0.64 -2.70 0.00 0.00 0.45 0.00 0.00 32.46 30.85 1xne n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xne n GLY 38 N 2.75 0.29 3.01 5.14 0.00 -1.19 -4.97 105.19 110.21 1xne n GLY 38 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1xne n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xne n ASP 39 N 0.00 -0.30 -3.92 1.61 9.92 -0.74 -4.17 116.55 118.95 1xne n ASP 39 Ca 0.00 -1.31 -0.17 0.00 -0.53 0.00 0.00 54.79 52.77 1xne n ASP 39 Cb 0.00 -0.81 -0.15 0.00 -0.64 0.00 0.00 41.12 39.52 1xne n ASP 39 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xne s LYS 40 N -5.25 0.55 -0.08 -1.24 2.20 0.25 -1.86 119.74 114.31 1xne s LYS 40 Ca 0.59 -0.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.11 1xne s LYS 40 Cb -0.02 -0.57 -0.01 0.00 -1.51 0.00 0.00 37.83 35.71 1xne s LYS 40 CO 0.42 0.02 -0.19 0.42 -0.36 0.00 0.00 175.35 175.66 1xne s ILE 41 N 0.39 2.60 -0.33 5.43 1.01 0.42 -0.64 121.20 130.08 1xne s ILE 41 Ca -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1xne s ILE 41 Cb -0.08 -2.02 0.07 0.00 0.01 0.00 0.00 42.46 40.44 1xne s ILE 41 CO -0.00 0.56 0.06 -0.63 0.00 0.00 0.00 174.94 174.92 1xne s ILE 42 N -0.08 3.00 -0.13 2.92 -1.09 0.52 0.18 121.20 126.52 1xne s ILE 42 Ca -0.04 -1.65 -0.29 0.00 -2.23 0.00 0.00 60.65 56.43 1xne s ILE 42 Cb -0.14 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1xne s ILE 42 CO 0.04 -0.31 1.04 -0.36 -1.23 0.00 0.00 174.94 174.13 1xne s PHE 43 N 1.19 3.42 -0.99 3.97 0.40 -0.21 -0.42 117.98 125.34 1xne s PHE 43 Ca -0.00 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1xne s PHE 43 Cb -0.20 -3.24 0.00 0.00 0.51 0.00 0.00 43.02 40.08 1xne s PHE 43 CO -0.03 -0.45 0.00 0.09 0.70 0.00 0.00 175.22 175.54 1xne n ASN 44 N 5.41 -5.63 -3.47 1.36 4.13 0.17 -2.64 115.26 114.59 1xne n ASN 44 Ca 0.10 0.23 -0.19 0.00 1.68 0.00 0.00 54.58 56.40 1xne n ASN 44 Cb 0.48 -3.95 0.03 0.00 -1.54 0.00 0.00 39.78 34.79 1xne n ASN 44 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xne n ASP 45 N -1.07 -6.14 0.00 6.41 2.03 -1.17 -4.80 116.55 111.81 1xne n ASP 45 Ca -0.09 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1xne n ASP 45 Cb 0.56 -3.87 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xne n LEU 46 N -3.09 0.00 -4.34 -2.67 7.94 -1.08 -5.08 117.00 108.67 1xne n LEU 46 Ca -0.10 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.40 1xne n LEU 46 Cb 0.59 0.09 -0.12 0.00 0.53 0.00 0.00 43.42 44.51 1xne n LEU 46 CO 0.61 -0.09 -0.20 -0.63 -1.11 0.00 0.00 177.39 175.97 1xne s ILE 47 N -1.28 4.28 0.56 1.96 1.01 -1.11 -4.98 121.20 121.64 1xne s ILE 47 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 60.65 59.56 1xne s ILE 47 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1xne s ILE 47 CO 0.00 -0.19 1.05 -2.16 0.00 0.00 0.00 174.94 173.64 1xne s PRO 48 N 1.50 3.48 0.00 2.79 0.04 -1.26 -1.04 135.00 140.51 1xne s PRO 48 Ca 0.01 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 62.10 1xne s PRO 48 Cb -0.19 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1xne s PRO 48 CO 0.05 -0.68 0.34 0.00 0.04 0.00 0.00 177.00 176.75 1xne s ALA 49 N -2.38 -0.83 0.03 8.56 0.00 0.49 -2.08 121.76 125.55 1xne s ALA 49 Ca 0.64 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.94 1xne s ALA 49 Cb -0.15 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1xne s ALA 49 CO 0.33 -0.32 -0.11 -2.00 0.00 0.00 0.00 175.76 173.66 1xne s GLU 50 N -1.75 2.36 -0.08 0.00 2.12 -0.72 0.16 118.70 120.79 1xne s GLU 50 Ca -0.10 -0.84 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 1xne s GLU 50 Cb -0.03 -2.38 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 1xne s GLU 50 CO 0.02 0.57 1.09 0.08 -0.54 0.00 0.00 175.26 176.48 1xne s VAL 51 N -1.00 4.55 -0.20 3.70 1.01 -0.78 0.85 120.40 128.55 1xne s VAL 51 Ca 0.17 1.85 -0.16 0.00 0.00 0.00 0.00 61.98 63.83 1xne s VAL 51 Cb -0.11 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 31.89 1xne s VAL 51 CO 0.08 0.00 0.16 0.52 0.00 0.00 0.00 175.10 175.86 1xne n VAL 52 N 4.58 1.59 -3.60 2.92 0.31 0.19 -3.20 118.33 121.12 1xne n VAL 52 Ca 0.10 -0.23 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1xne n VAL 52 Cb 0.48 -1.93 -0.06 0.00 -0.91 0.00 0.00 33.84 31.42 1xne n VAL 52 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xne s GLU 53 N -2.43 0.58 -0.03 5.55 2.12 -0.67 -4.87 118.70 118.95 1xne s GLU 53 Ca -0.29 0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.41 1xne s GLU 53 Cb 0.07 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 1xne s GLU 53 CO 0.62 -0.14 -0.18 0.54 -0.54 0.00 0.00 175.26 175.56 1xne s VAL 54 N -0.62 1.46 0.05 3.70 0.11 -1.26 -0.06 120.40 123.78 1xne s VAL 54 Ca -0.00 -0.77 0.01 0.00 -2.93 0.00 0.00 61.98 58.30 1xne s VAL 54 Cb -0.02 -1.22 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1xne s VAL 54 CO -0.01 0.41 -0.06 -0.54 -3.33 0.00 0.00 175.10 171.57 1xne s LYS 55 N -0.26 0.57 -0.01 1.54 -0.14 -1.04 -5.02 119.74 115.38 1xne s LYS 55 Ca 0.03 -0.91 0.06 0.00 -1.36 0.00 0.00 55.97 53.79 1xne s LYS 55 Cb -0.09 -0.16 -0.02 0.00 -1.68 0.00 0.00 37.83 35.89 1xne s LYS 55 CO 0.00 0.00 -0.19 0.21 -0.76 0.00 0.00 175.35 174.61 1xne s LYS 56 N -2.28 1.55 0.02 1.68 2.20 -1.26 -2.74 119.74 118.90 1xne s LYS 56 Ca -0.05 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 1xne s LYS 56 Cb -0.05 -1.51 -0.00 0.00 -1.51 0.00 0.00 37.83 34.76 1xne s LYS 56 CO -0.02 0.41 0.01 0.66 -0.36 0.00 0.00 175.35 176.05 1xne n TYR 57 N 2.56 -0.03 -4.74 4.03 4.01 -1.25 -5.03 117.16 116.71 1xne n TYR 57 Ca -0.15 -0.13 -0.32 0.00 -0.16 0.00 0.00 57.90 57.14 1xne n TYR 57 Cb 0.53 0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 1xne n TYR 57 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1xne s GLU 58 N -2.07 2.16 0.23 -0.72 -1.05 -1.26 -4.76 118.70 111.22 1xne s GLU 58 Ca 0.02 -2.36 0.00 0.00 -0.15 0.00 0.00 54.97 52.48 1xne s GLU 58 Cb 0.00 -1.53 0.00 0.00 -0.44 0.00 0.00 34.13 32.16 1xne s GLU 58 CO 0.01 -0.32 0.00 0.25 0.95 0.00 0.00 175.26 176.16 1xne n THR 59 N -1.21 0.00 0.00 1.83 -2.24 -1.26 -4.38 114.28 107.01 1xne n THR 59 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1xne n THR 59 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1xne n THR 59 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1xne n PHE 60 N 14.00 -0.22 -0.33 4.78 -1.74 -1.26 -4.55 117.46 128.14 1xne n PHE 60 Ca 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.00 1xne n PHE 60 Cb 0.00 0.28 0.32 0.00 1.52 0.00 0.00 39.48 41.60 1xne n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.56 0.00 0.00 176.76 176.11 1xne h ARG 61 N 0.00 0.78 -0.79 3.97 1.12 -2.00 0.84 114.38 118.31 1xne h ARG 61 Ca 0.00 -0.05 0.01 0.00 -1.11 0.00 0.00 59.98 58.83 1xne h ARG 61 Cb 0.00 -0.18 -0.04 0.00 -0.01 0.00 0.00 29.97 29.74 1xne h ARG 61 CO 0.00 0.52 0.52 0.37 -3.11 0.00 0.00 179.97 178.27 1xne h GLN 62 N 0.81 1.03 -0.19 0.20 -0.00 -1.89 -0.53 115.11 114.54 1xne h GLN 62 Ca 0.51 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 59.09 1xne h GLN 62 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 1xne h GLN 62 CO -0.28 0.68 0.07 0.28 0.00 0.00 0.00 178.83 179.59 1xne h VAL 63 N 1.07 1.08 0.00 2.39 2.07 -1.06 0.47 116.25 122.27 1xne h VAL 63 Ca 0.29 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1xne h VAL 63 Cb -0.12 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1xne h VAL 63 CO -0.07 0.09 -0.14 -0.07 0.02 0.00 0.00 177.57 177.41 1xne h LEU 64 N 0.26 0.00 0.13 2.57 4.07 -0.52 0.88 115.31 122.70 1xne h LEU 64 Ca 0.07 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.72 1xne h LEU 64 Cb 0.06 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 1xne h LEU 64 CO -0.01 0.14 -1.60 0.03 -1.08 0.00 0.00 178.44 175.92 1xne h ARG 65 N 0.00 0.28 0.23 1.13 2.47 0.39 -3.41 114.38 115.46 1xne h ARG 65 Ca -0.00 -0.48 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 1xne h ARG 65 Cb 0.82 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 1xne h ARG 65 CO 0.02 1.23 -0.11 1.49 0.56 0.00 0.00 179.97 183.16 1xne h GLU 66 N -0.16 -0.29 -6.57 0.04 4.22 -0.22 -3.46 114.58 108.15 1xne h GLU 66 Ca -0.34 0.02 -0.52 0.00 0.08 0.00 0.00 59.36 58.61 1xne h GLU 66 Cb 1.88 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.19 1xne h GLU 66 CO 0.08 -0.20 -0.07 -1.21 -2.18 0.00 0.00 179.01 175.44 1xne s GLU 67 N -2.57 3.70 1.02 1.92 0.41 0.30 -5.08 118.70 118.40 1xne s GLU 67 Ca -0.04 0.17 -0.16 0.00 -0.41 0.00 0.00 54.97 54.53 1xne s GLU 67 Cb 0.00 -2.58 0.21 0.00 -1.78 0.00 0.00 34.13 29.98 1xne s GLU 67 CO 0.13 0.17 1.19 -1.25 -0.49 0.00 0.00 175.26 175.01 1xne s PRO 68 N -3.49 0.21 -0.08 0.39 0.04 -1.26 -4.24 135.00 126.57 1xne s PRO 68 Ca 0.46 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.47 1xne s PRO 68 Cb -0.11 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.61 1xne s PRO 68 CO 0.29 -2.76 -0.04 -0.89 0.04 0.00 0.00 177.00 173.63 1xne n ILE 69 N -4.09 0.48 -0.31 0.56 5.41 -1.26 -4.10 119.36 116.05 1xne n ILE 69 Ca 0.11 -0.22 0.05 0.00 1.00 0.00 0.00 62.75 63.70 1xne n ILE 69 Cb 0.59 -0.81 0.21 0.00 -0.71 0.00 0.00 39.64 38.92 1xne n ILE 69 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1xne h ASP 70 N 0.00 0.67 0.26 4.38 2.03 -1.96 0.74 116.42 122.54 1xne h ASP 70 Ca -0.19 0.06 -0.01 0.00 -0.73 0.00 0.00 57.03 56.16 1xne h ASP 70 Cb 1.33 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1xne h ASP 70 CO -0.02 0.34 -0.13 0.11 -1.03 0.00 0.00 179.24 178.52 1xne h LYS 71 N 0.77 -0.34 -0.70 4.15 1.57 -1.90 -3.21 116.57 116.90 1xne h LYS 71 Ca 0.44 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 59.39 1xne h LYS 71 Cb 0.51 0.08 -0.13 0.00 0.08 0.00 0.00 32.23 32.76 1xne h LYS 71 CO -0.30 -0.03 -0.14 0.82 -0.57 0.00 0.00 179.45 179.24 1xne h ILE 72 N -0.97 0.32 -3.43 1.86 2.04 -1.60 -3.40 117.51 112.33 1xne h ILE 72 Ca -0.04 -0.01 -0.41 0.00 1.00 0.00 0.00 64.86 65.40 1xne h ILE 72 Cb 0.47 0.30 -0.34 0.00 -0.74 0.00 0.00 36.82 36.51 1xne h ILE 72 CO 0.06 0.00 -0.77 -0.36 0.00 0.00 0.00 178.15 177.08 1xne s PHE 73 N -6.22 0.75 -0.02 1.37 0.08 0.25 -4.88 117.98 109.31 1xne s PHE 73 Ca -0.14 -0.21 0.21 0.00 0.12 0.00 0.00 56.93 56.91 1xne s PHE 73 Cb 0.21 -0.69 0.60 0.00 -0.57 0.00 0.00 43.02 42.58 1xne s PHE 73 CO 0.74 -0.21 1.69 -1.00 -0.10 0.00 0.00 175.22 176.34 1xne h PRO 74 N 7.33 0.00 0.00 0.24 0.13 -1.75 -2.90 132.00 135.05 1xne h PRO 74 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1xne h PRO 74 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xne h PRO 74 CO 0.45 0.28 0.04 -0.44 -0.23 0.00 0.00 178.00 178.10 1xne h ASP 75 N 0.00 0.00 -5.92 1.44 5.19 -1.91 -3.46 116.42 111.75 1xne h ASP 75 Ca -0.00 0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.18 1xne h ASP 75 Cb 0.96 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.50 1xne h ASP 75 CO 0.04 0.00 -0.51 0.29 -3.12 0.00 0.00 179.24 175.93 1xne n LYS 76 N -2.64 -1.42 -1.51 3.56 5.02 -1.09 -4.98 118.16 115.10 1xne n LYS 76 Ca -0.02 1.09 -0.30 0.00 -2.02 0.00 0.00 58.31 57.06 1xne n LYS 76 Cb 0.09 -4.45 0.22 0.00 -0.02 0.00 0.00 35.03 30.87 1xne n LYS 76 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xne s PRO 77 N -4.08 -0.48 0.18 1.97 0.04 -1.26 -5.08 135.00 126.29 1xne s PRO 77 Ca 0.09 -0.32 0.06 0.00 0.04 0.00 0.00 61.00 60.87 1xne s PRO 77 Cb -0.03 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1xne s PRO 77 CO 0.81 -3.17 0.08 -1.12 0.04 0.00 0.00 177.00 173.64 1xne s SER 78 N -4.45 5.17 0.34 6.66 0.01 -1.26 -4.91 113.70 115.26 1xne s SER 78 Ca 0.74 -0.27 0.13 0.00 1.31 0.00 0.00 55.95 57.85 1xne s SER 78 Cb -0.06 -1.24 0.97 0.00 0.21 0.00 0.00 66.02 65.91 1xne s SER 78 CO 0.55 0.06 1.73 0.15 0.41 0.00 0.00 173.24 176.14 1xne h PHE 79 N 2.42 0.91 -0.13 2.43 3.57 -1.98 1.41 116.94 125.57 1xne h PHE 79 Ca -0.47 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 60.85 1xne h PHE 79 Cb 1.21 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.70 1xne h PHE 79 CO 0.60 0.03 -0.75 1.49 -2.23 0.00 0.00 178.31 177.46 1xne h GLU 80 N 0.50 0.73 -0.47 1.11 4.57 -1.99 -2.49 114.58 116.54 1xne h GLU 80 Ca 0.65 -0.62 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1xne h GLU 80 Cb 1.38 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 30.08 1xne h GLU 80 CO -0.44 1.22 -0.04 -0.22 -1.18 0.00 0.00 179.01 178.35 1xne h LYS 81 N 0.43 0.85 -0.22 1.92 3.64 -0.83 -2.03 116.57 120.33 1xne h LYS 81 Ca -0.06 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1xne h LYS 81 Cb 1.38 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1xne h LYS 81 CO 0.15 0.92 0.13 0.00 -2.27 0.00 0.00 179.45 178.38 1xne h ALA 82 N 0.90 1.82 -0.22 5.00 0.00 0.17 1.42 119.26 128.35 1xne h ALA 82 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xne h ALA 82 Cb 0.56 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1xne h ALA 82 CO 0.03 0.16 -0.06 1.25 0.00 0.00 0.00 179.25 180.63 1xne h LEU 83 N 0.30 0.44 0.02 0.00 6.46 -0.94 -1.70 115.31 119.89 1xne h LEU 83 Ca 0.08 -0.38 -0.00 0.00 -0.12 0.00 0.00 57.88 57.46 1xne h LEU 83 Cb -0.01 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1xne h LEU 83 CO -0.02 0.72 -0.01 0.50 -0.62 0.00 0.00 178.44 179.01 1xne h LYS 84 N 0.16 -0.03 -0.79 1.25 1.63 -0.61 -3.24 116.57 114.95 1xne h LYS 84 Ca 0.06 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.03 1xne h LYS 84 Cb 0.53 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.02 1xne h LYS 84 CO 0.02 0.56 -0.08 0.00 -3.45 0.00 0.00 179.45 176.50 1xne h ARG 85 N -0.65 0.05 -2.79 1.90 2.47 0.19 -0.08 114.38 115.46 1xne h ARG 85 Ca -0.00 -0.00 -0.44 0.00 -1.26 0.00 0.00 59.98 58.28 1xne h ARG 85 Cb 0.61 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1xne h ARG 85 CO 0.01 0.03 2.18 1.19 0.56 0.00 0.00 179.97 183.94 1xne n PHE 86 N -5.43 1.37 0.00 3.04 3.01 -0.64 -3.28 117.46 115.53 1xne n PHE 86 Ca 0.13 -2.25 0.00 0.00 1.01 0.00 0.00 57.45 56.34 1xne n PHE 86 Cb 0.47 -1.97 0.00 0.00 -0.01 0.00 0.00 39.48 37.97 1xne n PHE 86 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1xne n HIS 87 N 3.35 -0.59 -1.79 1.38 -0.00 -0.48 -4.90 115.22 112.20 1xne n HIS 87 Ca 0.58 0.02 -0.20 0.00 -0.00 0.00 0.00 57.72 58.12 1xne n HIS 87 Cb 0.41 0.16 -0.07 0.00 -0.00 0.00 0.00 29.99 30.48 1xne n HIS 87 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1xne s ASN 88 N -2.00 4.35 0.25 0.26 3.84 -0.17 -4.81 114.94 116.67 1xne s ASN 88 Ca 0.00 -0.58 0.02 0.00 0.21 0.00 0.00 52.86 52.52 1xne s ASN 88 Cb 0.00 -2.57 -0.01 0.00 -0.55 0.00 0.00 41.25 38.13 1xne s ASN 88 CO 0.00 -3.58 0.28 0.23 -2.79 0.00 0.00 177.10 171.24 1xne n MET 89 N 8.65 0.41 -3.36 0.43 2.81 -1.26 -4.92 117.12 119.88 1xne n MET 89 Ca 0.44 -2.27 -0.26 0.00 -1.81 0.00 0.00 57.70 53.80 1xne n MET 89 Cb 0.45 2.00 -0.08 0.00 -0.71 0.00 0.00 33.22 34.89 1xne n MET 89 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1xne n TYR 90 N -0.45 1.42 0.03 2.03 4.11 -1.26 -4.94 117.16 118.10 1xne n TYR 90 Ca 0.03 -3.83 -0.09 0.00 -0.00 0.00 0.00 57.90 54.01 1xne n TYR 90 Cb 0.44 -0.39 -0.07 0.00 -0.00 0.00 0.00 39.34 39.32 1xne n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1xne h PRO 91 N 4.34 -0.16 -0.00 -3.48 0.13 -1.95 -3.45 132.00 127.42 1xne h PRO 91 Ca 0.15 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1xne h PRO 91 Cb 0.79 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 31.82 1xne h PRO 91 CO 0.62 0.27 -0.24 1.17 -0.23 0.00 0.00 178.00 179.59 1xne n LYS 92 N -4.87 0.41 0.00 0.86 4.81 -1.26 -5.00 118.16 113.11 1xne n LYS 92 Ca -0.07 -1.15 0.00 0.00 -0.87 0.00 0.00 58.31 56.23 1xne n LYS 92 Cb 0.25 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.54 1xne n LYS 92 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 1xne n TRP 93 N 1.59 0.00 -3.54 5.64 -0.00 -1.26 -4.74 117.44 115.13 1xne n TRP 93 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.41 1xne n TRP 93 Cb 0.67 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.93 1xne n TRP 93 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1xne s LYS 94 N 0.00 0.85 0.13 5.87 2.20 -1.26 -5.00 119.74 122.53 1xne s LYS 94 Ca 0.00 0.16 -0.26 0.00 -0.36 0.00 0.00 55.97 55.52 1xne s LYS 94 Cb 0.00 0.40 0.07 0.00 -1.51 0.00 0.00 37.83 36.79 1xne s LYS 94 CO 0.00 -0.27 0.93 -2.00 -0.36 0.00 0.00 175.35 173.65 1xne s GLU 95 N -1.31 1.15 0.50 4.03 2.12 -1.26 -5.00 118.70 118.92 1xne s GLU 95 Ca -0.06 -0.60 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 1xne s GLU 95 Cb -0.00 0.41 -0.04 0.00 0.26 0.00 0.00 34.13 34.76 1xne s GLU 95 CO 0.05 -0.52 0.83 0.71 -0.54 0.00 0.00 175.26 175.79 1xne s TYR 96 N -3.28 3.57 0.55 5.30 1.51 -1.26 -5.07 117.35 118.66 1xne s TYR 96 Ca 0.11 0.92 -0.16 0.00 -1.01 0.00 0.00 57.07 56.94 1xne s TYR 96 Cb -0.01 -2.39 -0.06 0.00 -0.11 0.00 0.00 41.96 39.38 1xne s TYR 96 CO 0.00 -0.34 1.01 -0.98 -1.11 0.00 0.00 175.55 174.13 1xne s ARG 97 N -4.74 3.76 0.00 -0.62 1.70 -1.26 -5.06 118.95 112.74 1xne s ARG 97 Ca 0.49 0.98 0.00 0.00 -0.47 0.00 0.00 55.73 56.73 1xne s ARG 97 Cb -0.10 -2.11 0.00 0.00 -0.57 0.00 0.00 34.95 32.17 1xne s ARG 97 CO 0.45 -0.43 0.00 0.98 -1.08 0.00 0.00 175.30 175.22 1xne n TYR 98 N -1.84 0.00 0.00 5.89 9.36 -1.26 -5.17 117.16 124.13 1xne n TYR 98 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 1xne n TYR 98 Cb 0.54 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.25 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xne n GLY 99 N -0.32 3.26 3.15 2.98 0.00 -1.26 -4.87 105.19 108.13 1xne n GLY 99 Ca 0.00 -1.39 0.04 0.00 0.00 0.00 0.00 46.02 44.67 1xne n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xne s VAL 100 N -0.28 -0.93 -0.28 1.61 0.11 -1.26 -4.78 120.40 114.59 1xne s VAL 100 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1xne s VAL 100 Cb 0.00 -0.95 0.13 0.00 -1.53 0.00 0.00 36.38 34.03 1xne s VAL 100 CO 0.00 0.00 0.61 -0.22 -3.33 0.00 0.00 175.10 172.16 1xne s LEU 101 N 2.85 -1.08 -0.42 2.54 1.98 -1.26 -3.87 118.68 119.42 1xne s LEU 101 Ca 0.14 1.45 -0.10 0.00 -2.89 0.00 0.00 54.13 52.73 1xne s LEU 101 Cb -0.11 2.15 0.08 0.00 0.66 0.00 0.00 46.19 48.97 1xne s LEU 101 CO -0.24 -0.22 0.27 0.00 -1.89 0.00 0.00 176.35 174.27 1xne s ALA 102 N 2.85 3.32 -0.15 5.97 0.00 -1.11 -4.11 121.76 128.53 1xne s ALA 102 Ca -0.04 -2.13 -0.12 0.00 0.00 0.00 0.00 51.96 49.67 1xne s ALA 102 Cb -0.12 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.26 1xne s ALA 102 CO -0.18 -1.65 0.24 0.42 0.00 0.00 0.00 175.76 174.60 1xne s ILE 103 N 1.45 5.33 -0.25 0.00 1.01 -1.19 -2.50 121.20 125.05 1xne s ILE 103 Ca 0.03 0.44 -0.05 0.00 0.00 0.00 0.00 60.65 61.08 1xne s ILE 103 Cb -0.23 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1xne s ILE 103 CO 0.03 0.44 0.00 -0.54 0.00 0.00 0.00 174.94 174.87 1xne s LYS 104 N 0.17 3.20 0.13 2.79 1.02 0.92 -1.99 119.74 125.99 1xne s LYS 104 Ca 0.15 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.44 1xne s LYS 104 Cb -0.13 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1xne s LYS 104 CO 0.03 -0.32 -0.13 -0.59 -0.92 0.00 0.00 175.35 173.43 1xne s PHE 105 N 1.47 1.35 -0.24 3.18 -0.71 -0.98 0.53 117.98 122.58 1xne s PHE 105 Ca 0.04 -0.62 0.02 0.00 -1.04 0.00 0.00 56.93 55.33 1xne s PHE 105 Cb -0.16 -0.70 0.06 0.00 -1.21 0.00 0.00 43.02 41.01 1xne s PHE 105 CO -0.01 0.13 -0.08 0.50 -1.34 0.00 0.00 175.22 174.42 1xne s ARG 106 N -3.02 1.92 0.10 1.99 3.52 0.25 -4.72 118.95 118.97 1xne s ARG 106 Ca 0.11 -1.14 -0.35 0.00 -0.13 0.00 0.00 55.73 54.23 1xne s ARG 106 Cb -0.03 -2.71 -0.14 0.00 -1.56 0.00 0.00 34.95 30.51 1xne s ARG 106 CO 0.02 -0.58 1.57 1.55 -0.81 0.00 0.00 175.30 177.06 1xne n VAL 107 N 4.57 0.09 -2.81 7.11 3.14 -1.26 -1.75 118.33 127.42 1xne n VAL 107 Ca -0.13 -0.02 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 1xne n VAL 107 Cb 0.43 -1.42 -0.04 0.00 -1.06 0.00 0.00 33.84 31.75 1xne n VAL 107 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1xne s LEU 108 N 1.34 4.01 0.00 6.55 1.43 -0.88 -4.51 118.68 126.62 1xne s LEU 108 Ca 0.83 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1xne s LEU 108 Cb -0.75 -2.99 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1xne s LEU 108 CO 0.43 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1xne n GLY 109 N 5.05 1.10 3.52 -3.19 0.00 -1.26 -4.71 105.19 105.71 1xne n GLY 109 Ca 0.04 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.35 1xne n GLY 109 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xne s ARG 110 N 0.00 -0.59 0.11 1.61 3.52 -1.26 -5.06 118.95 117.28 1xne s ARG 110 Ca 0.00 0.98 -0.25 0.00 -0.13 0.00 0.00 55.73 56.33 1xne s ARG 110 Cb 0.00 -1.58 0.08 0.00 -1.56 0.00 0.00 34.95 31.89 1xne s ARG 110 CO 0.00 -3.55 0.66 0.34 -0.81 0.00 0.00 175.30 171.95 1xne s ASP 111 N -2.54 -0.54 0.30 -2.12 2.15 -1.26 -4.83 116.67 107.82 1xne s ASP 111 Ca 0.68 0.07 0.02 0.00 0.43 0.00 0.00 52.55 53.75 1xne s ASP 111 Cb -0.25 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 42.92 1xne s ASP 111 CO 0.63 -0.87 0.34 1.17 -0.17 0.00 0.00 175.17 176.27 1xne n LYS 112 N -0.23 0.49 0.00 4.34 4.81 -1.26 -4.94 118.16 121.38 1xne n LYS 112 Ca -0.16 -2.63 0.12 0.00 -0.87 0.00 0.00 58.31 54.77 1xne n LYS 112 Cb 0.64 2.35 0.10 0.00 0.02 0.00 0.00 35.03 38.13 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66