#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 3.09 -0.07 2.12 3.01 -1.26 -4.66 119.74 121.97 1xne s LYS 2 Ca 0.00 1.00 0.06 0.00 -1.01 0.00 0.00 55.97 56.01 1xne s LYS 2 Cb 0.00 -2.01 -0.01 0.00 -1.01 0.00 0.00 37.83 34.80 1xne s LYS 2 CO 0.00 -0.98 -0.25 0.08 0.51 0.00 0.00 175.35 174.71 1xne s VAL 3 N -2.91 2.07 -0.21 3.17 1.01 -1.25 0.18 120.40 122.45 1xne s VAL 3 Ca 0.59 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1xne s VAL 3 Cb -0.14 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.53 1xne s VAL 3 CO 0.50 0.57 -0.13 -0.31 0.00 0.00 0.00 175.10 175.73 1xne s TYR 4 N -0.04 2.75 -0.55 5.22 1.51 -0.25 -4.97 117.35 121.03 1xne s TYR 4 Ca -0.07 -1.81 -0.23 0.00 -1.01 0.00 0.00 57.07 53.94 1xne s TYR 4 Cb -0.15 -1.80 0.05 0.00 -0.11 0.00 0.00 41.96 39.95 1xne s TYR 4 CO 0.05 -0.80 0.89 1.03 -1.11 0.00 0.00 175.55 175.61 1xne s ARG 5 N 1.28 3.28 -0.21 -0.62 0.52 -1.26 0.76 118.95 122.70 1xne s ARG 5 Ca -0.02 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 1xne s ARG 5 Cb -0.16 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.19 1xne s ARG 5 CO -0.09 -1.46 0.08 -0.51 0.02 0.00 0.00 175.30 173.34 1xne s LEU 6 N 3.72 3.70 -0.26 2.53 1.43 0.15 -4.93 118.68 125.01 1xne s LEU 6 Ca 0.27 -0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.09 1xne s LEU 6 Cb -0.14 -1.96 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1xne s LEU 6 CO 0.17 0.08 0.88 -0.31 0.23 0.00 0.00 176.35 177.41 1xne s TYR 7 N 0.92 3.27 0.52 0.29 2.02 -1.26 0.14 117.35 123.26 1xne s TYR 7 Ca 0.04 1.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.87 1xne s TYR 7 Cb -0.14 -3.20 -0.00 0.00 -0.40 0.00 0.00 41.96 38.22 1xne s TYR 7 CO 0.03 -0.50 0.01 -0.51 -1.57 0.00 0.00 175.55 173.01 1xne s LEU 8 N 3.03 2.19 0.13 -1.29 1.02 -1.26 -4.86 118.68 117.64 1xne s LEU 8 Ca 0.37 -1.70 0.04 0.00 0.02 0.00 0.00 54.13 52.86 1xne s LEU 8 Cb -0.15 -0.67 -0.04 0.00 0.02 0.00 0.00 46.19 45.35 1xne s LEU 8 CO 0.09 -0.92 0.14 -0.54 0.02 0.00 0.00 176.35 175.15 1xne s LYS 9 N -3.89 3.00 0.56 1.70 1.02 -1.26 -4.80 119.74 116.06 1xne s LYS 9 Ca 0.02 -0.75 0.26 0.00 0.02 0.00 0.00 55.97 55.52 1xne s LYS 9 Cb 0.00 -2.74 1.50 0.00 -0.52 0.00 0.00 37.83 36.08 1xne s LYS 9 CO 0.01 0.52 2.04 0.22 -0.92 0.00 0.00 175.35 177.23 1xne h ASP 10 N 2.70 0.00 0.15 2.83 1.82 -2.01 1.52 116.42 123.43 1xne h ASP 10 Ca -0.47 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.16 1xne h ASP 10 Cb 1.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.20 1xne h ASP 10 CO 0.66 0.00 -0.07 -0.33 -1.61 0.00 0.00 179.24 177.88 1xne h GLU 11 N 0.00 -0.20 -0.06 0.28 4.39 -1.99 -0.54 114.58 116.47 1xne h GLU 11 Ca 0.15 0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.63 1xne h GLU 11 Cb 0.72 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1xne h GLU 11 CO -0.00 0.18 -0.91 1.88 -1.16 0.00 0.00 179.01 179.00 1xne h TYR 12 N -0.62 1.03 -0.64 4.33 0.05 -1.60 -3.23 116.97 116.29 1xne h TYR 12 Ca -0.02 -0.52 0.04 0.00 0.05 0.00 0.00 58.73 58.28 1xne h TYR 12 Cb 0.46 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.03 1xne h TYR 12 CO 0.05 1.35 0.39 1.25 -1.05 0.00 0.00 178.16 180.15 1xne h LEU 13 N 0.41 0.61 -0.74 3.88 5.85 0.20 -2.01 115.31 123.51 1xne h LEU 13 Ca -0.10 0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.79 1xne h LEU 13 Cb 1.56 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 42.33 1xne h LEU 13 CO 0.18 0.42 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.25 1xne h GLU 14 N 0.75 0.03 -0.89 1.25 5.08 -1.11 0.60 114.58 120.29 1xne h GLU 14 Ca 0.27 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1xne h GLU 14 Cb 0.07 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 1xne h GLU 14 CO -0.13 0.02 0.50 0.52 -1.00 0.00 0.00 179.01 178.93 1xne h MET 15 N 0.03 1.22 -0.62 2.33 2.86 -1.45 -0.08 114.93 119.22 1xne h MET 15 Ca 0.37 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1xne h MET 15 Cb 0.61 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1xne h MET 15 CO -0.73 0.88 0.11 0.28 1.06 0.00 0.00 176.91 178.51 1xne h VAL 16 N 1.23 1.25 -0.56 -2.22 2.07 0.32 -2.39 116.25 115.95 1xne h VAL 16 Ca 0.31 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1xne h VAL 16 Cb -0.00 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1xne h VAL 16 CO -0.05 0.36 0.07 0.11 0.02 0.00 0.00 177.57 178.08 1xne h LYS 17 N 0.95 0.95 -0.01 1.57 1.79 0.58 -1.75 116.57 120.64 1xne h LYS 17 Ca 0.19 -0.26 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1xne h LYS 17 Cb 0.39 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1xne h LYS 17 CO 0.01 0.92 0.01 0.66 -1.08 0.00 0.00 179.45 179.97 1xne h SER 18 N 0.84 0.00 0.00 0.86 4.64 -0.58 -3.40 113.55 115.91 1xne h SER 18 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1xne h SER 18 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1xne h SER 18 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1xne n GLY 19 N -1.25 0.83 0.32 -0.77 0.00 -0.66 -4.91 105.19 98.74 1xne n GLY 19 Ca -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 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 3.68 0.92 -6.37 1.61 1.57 -1.72 -3.39 116.57 112.87 1xne h LYS 20 Ca 0.00 -0.14 -0.56 0.00 -1.87 0.00 0.00 60.65 58.08 1xne h LYS 20 Cb 0.00 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 1xne h LYS 20 CO 0.00 0.74 1.16 0.21 -0.57 0.00 0.00 179.45 181.00 1xne s LYS 21 N -5.45 3.33 0.00 3.15 2.20 -1.14 -4.71 119.74 117.12 1xne s LYS 21 Ca -0.10 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1xne s LYS 21 Cb 0.16 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1xne s LYS 21 CO 0.80 -1.87 0.00 0.54 -0.36 0.00 0.00 175.35 174.46 1xne n ARG 22 N 8.44 0.00 -3.69 4.03 5.12 -1.26 -4.84 116.66 124.46 1xne n ARG 22 Ca 0.17 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.72 1xne n ARG 22 Cb 0.48 -0.93 -0.11 0.00 -1.16 0.00 0.00 32.46 30.74 1xne n ARG 22 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xne s ILE 23 N -1.96 4.91 -0.36 0.55 1.01 -1.26 -2.02 121.20 122.06 1xne s ILE 23 Ca 0.00 0.03 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 1xne s ILE 23 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1xne s ILE 23 CO 0.00 0.31 0.22 -0.70 0.00 0.00 0.00 174.94 174.77 1xne s GLU 24 N 1.51 3.07 -0.26 2.79 2.12 0.43 -4.55 118.70 123.83 1xne s GLU 24 Ca 0.06 -0.92 -0.11 0.00 0.36 0.00 0.00 54.97 54.36 1xne s GLU 24 Cb -0.15 -3.77 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 1xne s GLU 24 CO 0.07 -0.61 0.19 0.08 -0.54 0.00 0.00 175.26 174.45 1xne s VAL 25 N 1.62 5.32 -0.20 3.70 1.01 -1.26 -0.93 120.40 129.66 1xne s VAL 25 Ca 0.04 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 1xne s VAL 25 Cb -0.18 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.73 1xne s VAL 25 CO 0.08 0.29 0.63 -0.60 0.00 0.00 0.00 175.10 175.50 1xne s ARG 26 N 1.40 0.78 0.14 2.72 6.06 -1.21 -5.03 118.95 123.81 1xne s ARG 26 Ca 0.08 0.74 -0.33 0.00 -2.50 0.00 0.00 55.73 53.73 1xne s ARG 26 Cb -0.15 0.38 -0.17 0.00 0.06 0.00 0.00 34.95 35.07 1xne s ARG 26 CO 0.08 -0.13 0.85 0.28 -2.50 0.00 0.00 175.30 173.88 1xne n VAL 27 N 2.41 1.16 -1.06 7.11 0.31 -1.26 -4.00 118.33 122.99 1xne n VAL 27 Ca -0.15 -0.29 -0.31 0.00 -0.01 0.00 0.00 64.34 63.58 1xne n VAL 27 Cb 0.56 -0.23 -0.02 0.00 -0.91 0.00 0.00 33.84 33.23 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 0.78 6.06 -1.98 3.52 0.00 -1.26 -4.79 120.51 122.84 1xne n ALA 28 Ca 0.18 -2.83 -0.29 0.00 0.00 0.00 0.00 53.44 50.50 1xne n ALA 28 Cb 0.20 -3.22 0.03 0.00 0.00 0.00 0.00 19.45 16.46 1xne n ALA 28 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1xne s TYR 29 N 2.87 3.37 -1.19 0.00 5.04 -1.26 -4.82 117.35 121.35 1xne s TYR 29 Ca 0.55 0.93 -0.21 0.00 -2.44 0.00 0.00 57.07 55.90 1xne s TYR 29 Cb 0.14 -2.84 -0.01 0.00 0.35 0.00 0.00 41.96 39.60 1xne s TYR 29 CO -0.04 -0.91 1.81 -1.25 -1.34 0.00 0.00 175.55 173.81 1xne s PRO 30 N -5.16 3.22 0.00 4.97 0.04 -1.26 -2.27 135.00 134.54 1xne s PRO 30 Ca 0.55 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 60.16 1xne s PRO 30 Cb -0.11 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.07 1xne s PRO 30 CO 0.49 -3.05 0.00 0.94 0.04 0.00 0.00 177.00 175.42 1xne n GLN 31 N 8.44 0.00 -0.02 4.56 0.00 -1.26 -4.95 117.38 124.15 1xne n GLN 31 Ca 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.46 1xne n GLN 31 Cb 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.63 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1xne n LEU 32 N -2.13 0.00 0.29 1.69 4.77 -1.21 -4.42 117.00 115.98 1xne n LEU 32 Ca 0.00 0.00 0.18 0.00 -0.03 0.00 0.00 56.01 56.16 1xne n LEU 32 Cb 0.00 0.10 0.97 0.00 -2.33 0.00 0.00 43.42 42.16 1xne n LEU 32 CO 0.00 0.10 1.15 0.07 -1.33 0.00 0.00 177.39 177.38 1xne h LYS 33 N 0.00 0.00 0.00 3.23 5.09 -1.76 0.40 116.57 123.53 1xne h LYS 33 Ca -0.11 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.49 1xne h LYS 33 Cb 0.94 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.25 1xne h LYS 33 CO 0.01 0.00 -0.66 0.22 -2.09 0.00 0.00 179.45 176.93 1xne h ASP 34 N 0.00 0.00 -2.26 7.07 3.58 -1.80 -3.45 116.42 119.56 1xne h ASP 34 Ca 0.02 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.92 1xne h ASP 34 Cb 0.20 0.00 0.23 0.00 1.72 0.00 0.00 39.33 41.48 1xne h ASP 34 CO -0.00 0.66 -1.57 0.00 -2.88 0.00 0.00 179.24 175.44 1xne n ILE 35 N -3.75 0.05 -3.60 2.25 3.06 0.14 -5.00 119.36 112.51 1xne n ILE 35 Ca -0.01 -0.45 -0.08 0.00 -2.50 0.00 0.00 62.75 59.71 1xne n ILE 35 Cb 0.65 -0.12 -0.02 0.00 0.54 0.00 0.00 39.64 40.69 1xne n ILE 35 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 1xne s LYS 36 N -2.21 1.19 0.28 9.51 -2.85 -1.26 -5.02 119.74 119.37 1xne s LYS 36 Ca 0.45 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 54.57 1xne s LYS 36 Cb -0.21 0.48 -0.12 0.00 -2.06 0.00 0.00 37.83 35.91 1xne s LYS 36 CO 0.79 -0.53 1.48 -2.13 0.10 0.00 0.00 175.35 175.05 1xne n ARG 37 N -0.37 2.35 0.00 1.78 0.00 -1.26 -2.18 116.66 116.98 1xne n ARG 37 Ca -0.10 0.83 0.00 0.00 -0.00 0.00 0.00 57.85 58.59 1xne n ARG 37 Cb 0.62 -2.54 0.00 0.00 0.00 0.00 0.00 32.46 30.54 1xne n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xne n GLY 38 N 1.93 1.98 2.09 5.14 0.00 -1.23 -5.04 105.19 110.05 1xne n GLY 38 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.88 -4.08 1.61 9.92 -0.93 -4.36 116.55 117.83 1xne n ASP 39 Ca 0.00 -1.05 -0.11 0.00 -0.53 0.00 0.00 54.79 53.10 1xne n ASP 39 Cb 0.00 -0.58 -0.11 0.00 -0.64 0.00 0.00 41.12 39.80 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 -4.53 0.59 -0.01 -1.24 2.20 0.47 -2.16 119.74 115.07 1xne s LYS 40 Ca 0.42 -0.95 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 1xne s LYS 40 Cb -0.03 -0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.15 1xne s LYS 40 CO 0.31 -0.00 -0.06 0.42 -0.36 0.00 0.00 175.35 175.65 1xne s ILE 41 N -2.34 0.47 -0.21 5.43 1.01 0.40 -1.09 121.20 124.87 1xne s ILE 41 Ca -0.03 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.40 1xne s ILE 41 Cb -0.03 -0.40 0.04 0.00 0.01 0.00 0.00 42.46 42.07 1xne s ILE 41 CO -0.03 0.14 -0.16 -0.63 0.00 0.00 0.00 174.94 174.26 1xne s ILE 42 N -0.08 2.09 -0.20 2.92 -1.09 0.23 0.15 121.20 125.21 1xne s ILE 42 Ca 0.02 -1.21 -0.23 0.00 -2.23 0.00 0.00 60.65 57.00 1xne s ILE 42 Cb -0.03 -2.02 -0.02 0.00 -1.58 0.00 0.00 42.46 38.82 1xne s ILE 42 CO -0.00 0.31 0.73 -0.36 -1.23 0.00 0.00 174.94 174.39 1xne s PHE 43 N 1.22 3.38 -0.78 3.97 0.08 -0.25 0.31 117.98 125.91 1xne s PHE 43 Ca -0.01 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.12 1xne s PHE 43 Cb -0.16 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 1xne s PHE 43 CO -0.10 -0.24 0.00 0.09 -0.10 0.00 0.00 175.22 174.87 1xne n ASN 44 N 5.30 -5.32 -3.62 1.36 3.02 0.38 -2.54 115.26 113.84 1xne n ASN 44 Ca 0.02 0.18 -0.26 0.00 -0.03 0.00 0.00 54.58 54.49 1xne n ASN 44 Cb 0.49 -3.46 0.04 0.00 -0.61 0.00 0.00 39.78 36.24 1xne n ASN 44 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xne n ASP 45 N -0.82 -4.25 0.00 6.41 9.92 -1.23 -4.79 116.55 121.79 1xne n ASP 45 Ca -0.07 -0.91 0.00 0.00 -0.53 0.00 0.00 54.79 53.27 1xne n ASP 45 Cb 0.48 -3.86 0.00 0.00 -0.64 0.00 0.00 41.12 37.10 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1xne n LEU 46 N -4.04 0.00 -4.42 0.64 7.94 -1.05 -5.07 117.00 110.99 1xne n LEU 46 Ca -0.15 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.33 1xne n LEU 46 Cb 0.62 0.30 -0.11 0.00 0.53 0.00 0.00 43.42 44.77 1xne n LEU 46 CO 0.66 -0.33 -0.12 -0.63 -1.11 0.00 0.00 177.39 175.86 1xne s ILE 47 N -1.66 4.89 0.53 1.96 1.01 -1.07 -4.97 121.20 121.89 1xne s ILE 47 Ca 0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.75 1xne s ILE 47 Cb 0.00 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1xne s ILE 47 CO 0.00 -0.24 1.04 -2.16 0.00 0.00 0.00 174.94 173.58 1xne s PRO 48 N 1.62 3.60 -0.10 2.79 0.04 -1.26 -1.09 135.00 140.60 1xne s PRO 48 Ca 0.04 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 1xne s PRO 48 Cb -0.19 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.32 1xne s PRO 48 CO 0.08 -0.59 0.39 0.00 0.04 0.00 0.00 177.00 176.93 1xne s ALA 49 N -2.23 -0.98 0.05 8.56 0.00 0.39 -1.88 121.76 125.65 1xne s ALA 49 Ca 0.65 0.88 0.03 0.00 0.00 0.00 0.00 51.96 53.52 1xne s ALA 49 Cb -0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1xne s ALA 49 CO 0.28 -0.23 0.01 -2.00 0.00 0.00 0.00 175.76 173.83 1xne s GLU 50 N -0.39 2.72 -0.16 0.00 2.12 -0.21 0.15 118.70 122.93 1xne s GLU 50 Ca -0.05 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.28 1xne s GLU 50 Cb -0.03 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.72 1xne s GLU 50 CO 0.02 0.58 1.12 0.08 -0.54 0.00 0.00 175.26 176.53 1xne s VAL 51 N -1.22 4.52 -0.21 3.70 1.01 -0.92 0.50 120.40 127.79 1xne s VAL 51 Ca 0.24 1.83 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 1xne s VAL 51 Cb -0.12 -4.18 -0.19 0.00 0.00 0.00 0.00 36.38 31.89 1xne s VAL 51 CO 0.15 -0.11 0.22 0.58 0.00 0.00 0.00 175.10 175.95 1xne h VAL 52 N 5.33 0.91 -1.84 2.92 2.07 -0.22 -3.26 116.25 122.17 1xne h VAL 52 Ca -0.26 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 65.08 1xne h VAL 52 Cb 1.10 2.23 -0.21 0.00 -1.52 0.00 0.00 31.29 32.89 1xne h VAL 52 CO 0.94 0.32 0.31 -0.70 0.02 0.00 0.00 177.57 178.46 1xne s GLU 53 N -2.37 0.86 -0.08 1.57 2.12 -0.66 -4.87 118.70 115.27 1xne s GLU 53 Ca -0.29 0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.37 1xne s GLU 53 Cb 0.06 0.41 0.01 0.00 0.26 0.00 0.00 34.13 34.87 1xne s GLU 53 CO 0.60 -0.25 -0.12 0.54 -0.54 0.00 0.00 175.26 175.49 1xne s VAL 54 N -0.93 1.18 0.01 3.70 0.11 -1.26 -0.61 120.40 122.60 1xne s VAL 54 Ca -0.06 -0.48 -0.04 0.00 -2.93 0.00 0.00 61.98 58.46 1xne s VAL 54 Cb -0.01 -1.10 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 1xne s VAL 54 CO 0.06 0.37 0.07 -0.54 -3.33 0.00 0.00 175.10 171.73 1xne s LYS 55 N 0.85 0.39 0.12 1.54 -0.14 -1.01 -4.97 119.74 116.50 1xne s LYS 55 Ca -0.11 -0.43 0.07 0.00 -1.36 0.00 0.00 55.97 54.15 1xne s LYS 55 Cb -0.15 0.15 -0.04 0.00 -1.68 0.00 0.00 37.83 36.12 1xne s LYS 55 CO 0.01 -0.08 -0.18 0.21 -0.76 0.00 0.00 175.35 174.55 1xne s LYS 56 N -1.29 1.09 0.37 1.68 2.20 -1.26 -1.59 119.74 120.94 1xne s LYS 56 Ca -0.14 -1.20 -0.04 0.00 -0.36 0.00 0.00 55.97 54.23 1xne s LYS 56 Cb -0.08 -1.20 0.02 0.00 -1.51 0.00 0.00 37.83 35.05 1xne s LYS 56 CO 0.01 0.26 0.55 0.71 -0.36 0.00 0.00 175.35 176.52 1xne s TYR 57 N -1.55 0.92 0.20 4.03 2.02 -1.01 -4.99 117.35 116.97 1xne s TYR 57 Ca 0.08 -1.24 0.06 0.00 -0.37 0.00 0.00 57.07 55.60 1xne s TYR 57 Cb -0.08 0.11 -0.04 0.00 -0.40 0.00 0.00 41.96 41.55 1xne s TYR 57 CO 0.04 -1.26 0.13 -1.21 -1.57 0.00 0.00 175.55 171.68 1xne s GLU 58 N -2.76 2.80 0.35 -0.62 2.02 -1.26 -4.69 118.70 114.54 1xne s GLU 58 Ca 0.28 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.27 1xne s GLU 58 Cb -0.02 -2.55 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1xne s GLU 58 CO 0.20 0.45 0.00 -2.37 0.02 0.00 0.00 175.26 173.55 1xne n THR 59 N -0.61 -0.14 -0.12 3.63 5.66 -1.26 -4.30 114.28 117.14 1xne n THR 59 Ca -0.08 0.39 -0.18 0.00 -3.05 0.00 0.00 64.05 61.13 1xne n THR 59 Cb 0.56 -0.72 -0.12 0.00 -1.55 0.00 0.00 70.33 68.50 1xne n THR 59 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 1xne n PHE 60 N -3.62 0.05 -0.29 1.09 1.16 -1.26 -3.85 117.46 110.73 1xne n PHE 60 Ca -0.03 0.01 0.20 0.00 -1.87 0.00 0.00 57.45 55.75 1xne n PHE 60 Cb 0.59 -1.01 0.48 0.00 -1.61 0.00 0.00 39.48 37.93 1xne n PHE 60 CO 0.00 0.00 0.00 0.07 -1.87 0.00 0.00 176.76 174.96 1xne h ARG 61 N 0.00 0.44 0.07 3.97 -0.00 -1.99 0.23 114.38 117.11 1xne h ARG 61 Ca -0.57 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.98 59.38 1xne h ARG 61 Cb 1.92 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.79 1xne h ARG 61 CO -0.08 0.29 -0.04 0.37 -0.00 0.00 0.00 179.97 180.52 1xne h GLN 62 N 0.46 -0.09 -0.83 0.08 -0.00 -1.78 -2.83 115.11 110.11 1xne h GLN 62 Ca 0.54 0.01 0.24 0.00 -0.00 0.00 0.00 58.65 59.43 1xne h GLN 62 Cb 1.27 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.74 1xne h GLN 62 CO -0.25 0.47 0.59 0.28 0.00 0.00 0.00 178.83 179.92 1xne h VAL 63 N -0.83 0.59 0.00 2.39 2.07 -1.33 1.50 116.25 120.64 1xne h VAL 63 Ca -0.01 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 67.38 1xne h VAL 63 Cb 0.61 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1xne h VAL 63 CO 0.02 0.00 -0.61 -0.07 0.02 0.00 0.00 177.57 176.93 1xne h LEU 64 N 0.02 0.00 0.06 2.57 4.07 -0.56 0.35 115.31 121.82 1xne h LEU 64 Ca 0.39 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 58.07 1xne h LEU 64 Cb 1.56 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.32 1xne h LEU 64 CO -0.01 0.61 -1.17 0.03 -1.08 0.00 0.00 178.44 176.82 1xne h ARG 65 N 0.00 0.63 0.12 1.13 2.47 0.22 -3.36 114.38 115.58 1xne h ARG 65 Ca -0.01 -0.78 -0.01 0.00 -1.26 0.00 0.00 59.98 57.93 1xne h ARG 65 Cb 1.14 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.70 1xne h ARG 65 CO 0.08 1.34 -0.06 1.49 0.56 0.00 0.00 179.97 183.39 1xne h GLU 66 N 0.30 -0.15 -6.36 0.04 4.81 -0.75 -3.46 114.58 109.02 1xne h GLU 66 Ca -0.16 0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.53 1xne h GLU 66 Cb 1.84 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.22 1xne h GLU 66 CO 0.22 0.19 -0.19 -1.21 -0.73 0.00 0.00 179.01 177.29 1xne s GLU 67 N -2.53 3.69 0.97 1.92 0.41 0.12 -5.09 118.70 118.19 1xne s GLU 67 Ca -0.09 0.07 -0.14 0.00 -0.41 0.00 0.00 54.97 54.41 1xne s GLU 67 Cb -0.00 -2.72 0.17 0.00 -1.78 0.00 0.00 34.13 29.80 1xne s GLU 67 CO 0.31 0.34 1.16 -1.25 -0.49 0.00 0.00 175.26 175.33 1xne s PRO 68 N -2.97 0.68 -0.08 0.39 0.04 -1.26 -4.29 135.00 127.51 1xne s PRO 68 Ca 0.44 0.12 0.06 0.00 0.04 0.00 0.00 61.00 61.66 1xne s PRO 68 Cb -0.11 -1.80 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 1xne s PRO 68 CO 0.25 -2.48 0.01 -0.89 0.04 0.00 0.00 177.00 173.93 1xne n ILE 69 N -3.93 0.52 -0.02 0.56 5.41 -1.26 -4.09 119.36 116.55 1xne n ILE 69 Ca 0.09 -0.30 0.01 0.00 1.00 0.00 0.00 62.75 63.55 1xne n ILE 69 Cb 0.59 -0.81 0.33 0.00 -0.71 0.00 0.00 39.64 39.05 1xne n ILE 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1xne h ASP 70 N 0.00 0.52 0.14 4.38 3.32 -1.95 0.32 116.42 123.15 1xne h ASP 70 Ca -0.20 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1xne h ASP 70 Cb 1.44 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1xne h ASP 70 CO 0.01 0.50 -0.07 0.11 -1.72 0.00 0.00 179.24 178.06 1xne h LYS 71 N 0.57 -0.18 -0.76 3.56 1.79 -1.87 -3.26 116.57 116.43 1xne h LYS 71 Ca 0.14 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.78 1xne h LYS 71 Cb 0.15 0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.74 1xne h LYS 71 CO -0.01 0.18 0.27 0.82 -1.08 0.00 0.00 179.45 179.63 1xne h ILE 72 N -0.97 0.59 -3.52 1.86 2.04 -1.67 -3.39 117.51 112.44 1xne h ILE 72 Ca -0.02 -0.13 -0.38 0.00 1.00 0.00 0.00 64.86 65.33 1xne h ILE 72 Cb 0.44 0.17 -0.33 0.00 -0.74 0.00 0.00 36.82 36.36 1xne h ILE 72 CO 0.03 0.07 -0.76 -0.36 0.00 0.00 0.00 178.15 177.13 1xne s PHE 73 N -6.01 0.61 -0.08 1.37 0.08 0.11 -4.94 117.98 109.12 1xne s PHE 73 Ca -0.12 -0.14 0.24 0.00 0.12 0.00 0.00 56.93 57.03 1xne s PHE 73 Cb 0.21 -0.56 0.72 0.00 -0.57 0.00 0.00 43.02 42.83 1xne s PHE 73 CO 0.76 -0.15 1.74 -1.00 -0.10 0.00 0.00 175.22 176.47 1xne h PRO 74 N 7.05 0.00 -0.01 0.24 0.13 -1.77 -2.91 132.00 134.73 1xne h PRO 74 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.48 0.16 0.06 -0.44 -0.23 0.00 0.00 178.00 178.03 1xne h ASP 75 N 0.00 0.00 -6.09 1.44 5.19 -1.90 -3.46 116.42 111.60 1xne h ASP 75 Ca -0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 1xne h ASP 75 Cb 0.87 0.00 0.05 0.00 0.18 0.00 0.00 39.33 40.43 1xne h ASP 75 CO 0.02 0.00 -0.73 0.29 -3.12 0.00 0.00 179.24 175.70 1xne n LYS 76 N -3.13 -1.36 0.00 3.56 5.02 -1.10 -4.98 118.16 116.17 1xne n LYS 76 Ca -0.03 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 1xne n LYS 76 Cb 0.13 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 1xne n LYS 76 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1xne n PRO 77 N -3.15 -0.49 -4.22 1.97 -0.04 -1.26 -5.04 135.00 122.76 1xne n PRO 77 Ca -0.12 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.07 1xne n PRO 77 Cb 0.59 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.97 1xne n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1xne s SER 78 N -1.25 4.61 0.32 3.54 0.01 -1.26 -4.95 113.70 114.72 1xne s SER 78 Ca 0.00 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 56.93 1xne s SER 78 Cb 0.00 -0.93 0.90 0.00 0.21 0.00 0.00 66.02 66.20 1xne s SER 78 CO 0.00 0.11 1.70 0.15 0.41 0.00 0.00 173.24 175.62 1xne h PHE 79 N 2.95 0.91 -0.04 2.43 3.04 -1.99 0.63 116.94 124.87 1xne h PHE 79 Ca -0.47 0.04 -0.19 0.00 3.98 0.00 0.00 57.97 61.33 1xne h PHE 79 Cb 1.19 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.47 1xne h PHE 79 CO 0.62 -0.02 -0.70 1.49 -2.02 0.00 0.00 178.31 177.67 1xne h GLU 80 N 0.47 0.55 -0.22 1.11 4.22 -2.00 -2.86 114.58 115.86 1xne h GLU 80 Ca 0.65 -0.54 0.03 0.00 0.08 0.00 0.00 59.36 59.58 1xne h GLU 80 Cb 1.30 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.66 1xne h GLU 80 CO -0.52 1.16 0.04 -0.22 -2.18 0.00 0.00 179.01 177.28 1xne h LYS 81 N 0.14 0.11 -0.85 1.92 3.64 -1.05 -0.62 116.57 119.86 1xne h LYS 81 Ca -0.08 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.41 1xne h LYS 81 Cb 1.38 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.11 1xne h LYS 81 CO 0.14 0.08 0.55 0.00 -2.27 0.00 0.00 179.45 177.95 1xne h ALA 82 N 1.16 1.74 -0.12 5.00 0.00 0.04 1.07 119.26 128.15 1xne h ALA 82 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xne h ALA 82 Cb 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1xne h ALA 82 CO -0.14 0.07 -0.11 1.25 0.00 0.00 0.00 179.25 180.31 1xne h LEU 83 N 0.77 -0.36 0.19 0.00 6.46 -0.88 0.33 115.31 121.81 1xne h LEU 83 Ca 0.41 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.23 1xne h LEU 83 Cb 0.51 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 1xne h LEU 83 CO -0.17 -0.15 -0.09 0.50 -0.62 0.00 0.00 178.44 177.91 1xne h LYS 84 N -0.14 -0.24 -0.95 1.25 3.64 -0.62 -0.55 116.57 118.97 1xne h LYS 84 Ca 0.08 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.73 1xne h LYS 84 Cb 0.26 0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 31.96 1xne h LYS 84 CO -0.20 0.16 0.04 -0.09 -2.27 0.00 0.00 179.45 177.09 1xne h ARG 85 N -0.87 0.04 0.04 1.90 2.43 0.12 1.43 114.38 119.47 1xne h ARG 85 Ca -0.03 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1xne h ARG 85 Cb 0.51 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1xne h ARG 85 CO 0.04 0.03 -0.02 0.74 -1.51 0.00 0.00 179.97 179.25 1xne h PHE 86 N 0.04 -0.05 0.26 2.20 0.04 -0.37 -3.32 116.94 115.74 1xne h PHE 86 Ca 0.57 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.34 1xne h PHE 86 Cb 1.15 0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 1xne h PHE 86 CO -0.47 0.49 -0.40 0.45 -0.60 0.00 0.00 178.31 177.78 1xne h HIS 87 N -0.63 -1.10 -0.82 -0.55 3.86 0.93 -3.34 115.15 113.50 1xne h HIS 87 Ca -0.01 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.03 1xne h HIS 87 Cb 0.56 0.45 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 1xne h HIS 87 CO 0.12 -0.52 0.61 1.21 0.86 0.00 0.00 177.93 180.20 1xne s ASN 88 N -4.62 4.29 -0.25 2.45 3.84 0.46 -4.79 114.94 116.32 1xne s ASN 88 Ca -0.17 0.21 -0.28 0.00 0.21 0.00 0.00 52.86 52.84 1xne s ASN 88 Cb 0.06 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 38.39 1xne s ASN 88 CO 0.63 -3.38 1.20 -0.32 -2.79 0.00 0.00 177.10 172.44 1xne s MET 89 N 8.34 0.31 -0.13 0.43 1.75 -1.26 -4.82 119.30 123.93 1xne s MET 89 Ca 0.89 0.17 -0.07 0.00 -1.25 0.00 0.00 55.69 55.43 1xne s MET 89 Cb -0.13 0.15 0.03 0.00 2.84 0.00 0.00 34.83 37.72 1xne s MET 89 CO 0.12 -0.08 0.13 0.66 -0.65 0.00 0.00 175.02 175.20 1xne n TYR 90 N 1.08 -2.78 -1.52 4.11 4.01 -1.26 -4.98 117.16 115.81 1xne n TYR 90 Ca -0.07 1.56 -0.30 0.00 -0.16 0.00 0.00 57.90 58.93 1xne n TYR 90 Cb 0.58 -2.85 0.19 0.00 -0.31 0.00 0.00 39.34 36.95 1xne n TYR 90 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1xne s PRO 91 N -0.58 0.19 -0.00 -0.72 0.04 -1.26 -4.88 135.00 127.79 1xne s PRO 91 Ca -0.15 -0.07 -0.00 0.00 0.04 0.00 0.00 61.00 60.82 1xne s PRO 91 Cb 0.01 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1xne s PRO 91 CO 0.50 -2.77 0.00 1.17 0.04 0.00 0.00 177.00 175.94 1xne n LYS 92 N -4.09 -0.07 -2.65 4.56 3.00 -1.26 -4.93 118.16 112.71 1xne n LYS 92 Ca 0.12 0.55 -0.03 0.00 -0.00 0.00 0.00 58.31 58.95 1xne n LYS 92 Cb 0.59 -0.61 -0.02 0.00 0.00 0.00 0.00 35.03 34.99 1xne n LYS 92 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1xne n TRP 93 N 0.03 -4.23 -1.22 5.64 8.01 -1.26 -4.67 117.44 119.73 1xne n TRP 93 Ca -0.00 2.15 -0.42 0.00 -1.31 0.00 0.00 57.50 57.92 1xne n TRP 93 Cb 0.00 -3.98 -0.06 0.00 -2.01 0.00 0.00 31.31 25.27 1xne n TRP 93 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.69 177.04 1xne n LYS 94 N 1.15 1.51 0.00 -0.99 2.85 -1.26 -4.09 118.16 117.33 1xne n LYS 94 Ca -0.19 -1.90 0.00 0.00 -1.05 0.00 0.00 58.31 55.17 1xne n LYS 94 Cb 0.30 -2.98 0.00 0.00 -0.65 0.00 0.00 35.03 31.70 1xne n LYS 94 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xne n GLU 95 N 7.11 0.00 -3.92 -1.58 -0.58 -1.26 -5.17 120.64 115.24 1xne n GLU 95 Ca 0.49 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 57.15 1xne n GLU 95 Cb 0.41 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.25 1xne n GLU 95 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1xne s TYR 96 N 0.00 0.06 0.35 -0.32 5.04 -1.26 -5.14 117.35 116.09 1xne s TYR 96 Ca 0.00 -0.49 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1xne s TYR 96 Cb 0.00 0.50 0.00 0.00 0.35 0.00 0.00 41.96 42.81 1xne s TYR 96 CO 0.00 -1.15 0.00 -2.13 -1.34 0.00 0.00 175.55 170.93 1xne n ARG 97 N -0.43 -2.97 -3.30 4.97 0.63 -1.26 -5.05 116.66 109.24 1xne n ARG 97 Ca -0.03 2.23 0.03 0.00 -0.92 0.00 0.00 57.85 59.15 1xne n ARG 97 Cb 0.60 -2.55 -0.03 0.00 0.45 0.00 0.00 32.46 30.93 1xne n ARG 97 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1xne s TYR 98 N -3.28 -0.67 0.01 -0.14 1.13 -1.26 -5.17 117.35 107.96 1xne s TYR 98 Ca 0.00 0.99 0.00 0.00 -1.41 0.00 0.00 57.07 56.66 1xne s TYR 98 Cb 0.00 0.34 -0.01 0.00 -1.10 0.00 0.00 41.96 41.19 1xne s TYR 98 CO 0.00 -0.35 -0.02 0.20 -2.51 0.00 0.00 175.55 172.87 1xne s GLY 99 N 2.60 0.14 -0.42 5.49 0.00 -1.26 -4.57 107.32 109.29 1xne s GLY 99 Ca -0.00 -0.29 0.08 0.00 0.00 0.00 0.00 44.72 44.50 1xne s GLY 99 CO -0.16 -0.32 1.14 1.55 0.00 0.00 0.00 173.10 175.31 1xne n VAL 100 N 2.39 0.04 -5.02 1.40 3.14 -1.26 -4.82 118.33 114.20 1xne n VAL 100 Ca -0.17 -1.91 -0.29 0.00 -2.96 0.00 0.00 64.34 59.00 1xne n VAL 100 Cb 0.58 1.12 -0.17 0.00 -1.06 0.00 0.00 33.84 34.30 1xne n VAL 100 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1xne s LEU 101 N -2.62 1.95 -0.39 6.55 0.20 -1.26 -2.41 118.68 120.70 1xne s LEU 101 Ca 0.24 -0.47 -0.06 0.00 0.69 0.00 0.00 54.13 54.54 1xne s LEU 101 Cb 0.34 -1.21 0.08 0.00 -0.43 0.00 0.00 46.19 44.97 1xne s LEU 101 CO -0.06 0.13 0.18 0.00 -0.29 0.00 0.00 176.35 176.32 1xne s ALA 102 N 0.36 3.15 -0.17 5.97 0.00 -0.62 -3.34 121.76 127.10 1xne s ALA 102 Ca -0.15 -2.17 -0.10 0.00 0.00 0.00 0.00 51.96 49.54 1xne s ALA 102 Cb -0.16 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.49 1xne s ALA 102 CO 0.07 -1.61 0.15 0.42 0.00 0.00 0.00 175.76 174.79 1xne s ILE 103 N 1.30 5.42 -0.26 0.00 1.01 -0.11 -2.42 121.20 126.15 1xne s ILE 103 Ca 0.03 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.91 1xne s ILE 103 Cb -0.22 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.82 1xne s ILE 103 CO -0.00 0.49 -0.06 -0.54 0.00 0.00 0.00 174.94 174.82 1xne s LYS 104 N -0.06 2.66 0.13 2.79 1.02 0.22 0.16 119.74 126.67 1xne s LYS 104 Ca 0.11 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 55.08 1xne s LYS 104 Cb -0.12 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 1xne s LYS 104 CO 0.00 -0.47 -0.17 -0.59 -0.92 0.00 0.00 175.35 173.21 1xne s PHE 105 N 1.27 1.63 -0.22 3.18 -0.12 -0.86 0.55 117.98 123.41 1xne s PHE 105 Ca -0.02 -0.48 0.02 0.00 -0.05 0.00 0.00 56.93 56.39 1xne s PHE 105 Cb -0.18 -0.85 0.04 0.00 -0.63 0.00 0.00 43.02 41.41 1xne s PHE 105 CO -0.04 0.22 -0.13 0.50 -0.05 0.00 0.00 175.22 175.71 1xne s ARG 106 N -2.45 2.37 -0.04 1.99 3.52 0.18 -4.70 118.95 119.83 1xne s ARG 106 Ca 0.10 -1.02 -0.32 0.00 -0.13 0.00 0.00 55.73 54.36 1xne s ARG 106 Cb -0.07 -2.63 -0.10 0.00 -1.56 0.00 0.00 34.95 30.59 1xne s ARG 106 CO 0.05 -0.42 1.97 1.55 -0.81 0.00 0.00 175.30 177.63 1xne n VAL 107 N 4.57 0.66 -2.23 7.11 3.14 -1.26 -1.05 118.33 129.28 1xne n VAL 107 Ca -0.16 -0.15 -0.40 0.00 -2.96 0.00 0.00 64.34 60.67 1xne n VAL 107 Cb 0.46 -2.16 -0.03 0.00 -1.06 0.00 0.00 33.84 31.05 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 4.67 3.31 -0.01 6.55 1.43 -0.79 -4.37 118.68 129.47 1xne s LEU 108 Ca 0.92 0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1xne s LEU 108 Cb -0.53 -2.73 0.00 0.00 0.03 0.00 0.00 46.19 42.96 1xne s LEU 108 CO 0.45 -2.06 0.02 0.61 0.23 0.00 0.00 176.35 175.61 1xne n GLY 109 N 5.51 -3.74 3.96 -3.19 0.00 -1.26 -4.71 105.19 101.76 1xne n GLY 109 Ca 0.15 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1xne n GLY 109 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xne s ARG 110 N -1.39 2.85 0.96 1.61 3.03 -1.26 -4.97 118.95 119.78 1xne s ARG 110 Ca -0.03 -0.56 -0.17 0.00 2.03 0.00 0.00 55.73 57.01 1xne s ARG 110 Cb 0.00 -2.51 -0.14 0.00 -1.03 0.00 0.00 34.95 31.28 1xne s ARG 110 CO 0.07 -0.48 -0.66 -0.40 -1.13 0.00 0.00 175.30 172.70 1xne n ASP 111 N -2.22 -5.56 -4.79 -2.89 5.75 -1.26 -4.99 116.55 100.59 1xne n ASP 111 Ca 0.04 0.23 -0.27 0.00 -0.01 0.00 0.00 54.79 54.78 1xne n ASP 111 Cb 0.58 -0.80 -0.05 0.00 -1.03 0.00 0.00 41.12 39.82 1xne n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xne s LYS 112 N -2.04 2.23 0.00 0.11 1.02 -1.26 -5.18 119.74 114.62 1xne s LYS 112 Ca 0.43 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 54.41 1xne s LYS 112 Cb -0.21 -1.93 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1xne s LYS 112 CO 0.80 -0.31 0.32 -1.91 -0.92 0.00 0.00 175.35 173.33