#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 3.60 -0.14 2.12 1.02 -1.26 -4.83 119.74 120.25 1xne s LYS 2 Ca 0.00 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 55.96 1xne s LYS 2 Cb 0.00 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 1xne s LYS 2 CO 0.00 0.19 -0.21 0.08 -0.92 0.00 0.00 175.35 174.48 1xne s VAL 3 N -2.15 2.04 -0.34 3.17 1.01 -1.25 0.19 120.40 123.07 1xne s VAL 3 Ca 0.43 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.40 1xne s VAL 3 Cb -0.10 -1.81 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1xne s VAL 3 CO 0.32 0.54 0.09 -0.31 0.00 0.00 0.00 175.10 175.75 1xne s TYR 4 N 0.89 3.29 -0.73 5.22 1.51 0.34 -4.93 117.35 122.94 1xne s TYR 4 Ca -0.05 -1.62 -0.25 0.00 -1.01 0.00 0.00 57.07 54.14 1xne s TYR 4 Cb -0.15 -2.35 0.05 0.00 -0.11 0.00 0.00 41.96 39.40 1xne s TYR 4 CO -0.04 -0.77 1.17 1.03 -1.11 0.00 0.00 175.55 175.83 1xne s ARG 5 N 1.35 3.19 -0.25 -0.62 0.52 -1.26 0.14 118.95 122.02 1xne s ARG 5 Ca -0.02 -0.55 -0.09 0.00 -0.52 0.00 0.00 55.73 54.56 1xne s ARG 5 Cb -0.20 -4.28 -0.04 0.00 0.52 0.00 0.00 34.95 30.95 1xne s ARG 5 CO 0.01 -2.02 0.11 -0.51 0.02 0.00 0.00 175.30 172.91 1xne s LEU 6 N 5.00 3.72 -0.27 2.53 1.43 0.41 -4.97 118.68 126.52 1xne s LEU 6 Ca 0.31 -0.08 -0.26 0.00 -1.03 0.00 0.00 54.13 53.06 1xne s LEU 6 Cb -0.11 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1xne s LEU 6 CO 0.11 -0.00 0.90 -0.31 0.23 0.00 0.00 176.35 177.28 1xne s TYR 7 N 1.45 3.26 0.39 0.29 2.02 -1.26 0.82 117.35 124.32 1xne s TYR 7 Ca 0.06 1.14 0.05 0.00 -0.37 0.00 0.00 57.07 57.95 1xne s TYR 7 Cb -0.15 -3.24 -0.06 0.00 -0.40 0.00 0.00 41.96 38.10 1xne s TYR 7 CO 0.06 -0.52 0.03 -0.51 -1.57 0.00 0.00 175.55 173.04 1xne s LEU 8 N 3.08 2.53 0.30 -1.29 1.02 -1.26 -4.84 118.68 118.22 1xne s LEU 8 Ca 0.38 -1.42 -0.02 0.00 0.02 0.00 0.00 54.13 53.09 1xne s LEU 8 Cb -0.14 -0.66 -0.04 0.00 0.02 0.00 0.00 46.19 45.36 1xne s LEU 8 CO 0.10 -0.58 0.52 -0.54 0.02 0.00 0.00 176.35 175.87 1xne s LYS 9 N -3.79 3.55 0.46 1.70 1.02 -1.26 -4.71 119.74 116.71 1xne s LYS 9 Ca 0.31 -0.20 0.11 0.00 0.02 0.00 0.00 55.97 56.21 1xne s LYS 9 Cb 0.08 -2.69 1.04 0.00 -0.52 0.00 0.00 37.83 35.75 1xne s LYS 9 CO 0.15 0.21 2.09 -0.44 -0.92 0.00 0.00 175.35 176.45 1xne h ASP 10 N 1.32 0.27 0.27 2.83 3.32 -2.01 1.47 116.42 123.89 1xne h ASP 10 Ca -0.49 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 1xne h ASP 10 Cb 1.20 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1xne h ASP 10 CO 0.64 0.19 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.90 1xne h GLU 11 N 0.31 -0.35 -0.03 3.56 4.39 -1.99 0.17 114.58 120.65 1xne h GLU 11 Ca 0.09 0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 1xne h GLU 11 Cb -0.00 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1xne h GLU 11 CO -0.02 -0.14 -0.49 1.88 -1.16 0.00 0.00 179.01 179.08 1xne h TYR 12 N -0.50 0.55 -0.85 4.33 0.05 -1.81 -3.24 116.97 115.51 1xne h TYR 12 Ca -0.04 -0.28 0.11 0.00 0.05 0.00 0.00 58.73 58.57 1xne h TYR 12 Cb 0.37 -0.07 -0.08 0.00 1.01 0.00 0.00 36.73 37.96 1xne h TYR 12 CO -0.02 1.08 0.48 1.25 -1.05 0.00 0.00 178.16 179.90 1xne h LEU 13 N -0.13 0.68 -0.96 3.88 5.85 0.20 -0.09 115.31 124.74 1xne h LEU 13 Ca -0.05 0.05 0.29 0.00 0.84 0.00 0.00 57.88 59.01 1xne h LEU 13 Cb 1.19 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.00 1xne h LEU 13 CO 0.10 0.37 0.46 -0.33 -0.34 0.00 0.00 178.44 178.70 1xne h GLU 14 N 0.79 0.29 -0.06 1.25 5.08 -0.67 0.38 114.58 121.64 1xne h GLU 14 Ca 0.42 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1xne h GLU 14 Cb 0.42 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1xne h GLU 14 CO -0.27 0.19 0.04 0.52 -1.00 0.00 0.00 179.01 178.50 1xne h MET 15 N 0.30 0.09 -0.00 2.33 2.86 -1.11 -0.82 114.93 118.58 1xne h MET 15 Ca 0.67 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.32 1xne h MET 15 Cb 1.47 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 1xne h MET 15 CO -0.62 0.09 -0.10 0.28 1.06 0.00 0.00 176.91 177.63 1xne h VAL 16 N 0.06 0.75 -1.00 -2.22 2.07 -0.31 0.13 116.25 115.72 1xne h VAL 16 Ca 0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.73 1xne h VAL 16 Cb 0.03 0.75 -0.11 0.00 -1.52 0.00 0.00 31.29 30.44 1xne h VAL 16 CO -0.00 0.00 0.61 0.11 0.02 0.00 0.00 177.57 178.30 1xne h LYS 17 N -0.17 0.75 0.00 1.57 1.79 -0.74 0.81 116.57 120.58 1xne h LYS 17 Ca 0.04 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.38 1xne h LYS 17 Cb 0.21 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1xne h LYS 17 CO -0.10 0.50 -0.41 0.66 -1.08 0.00 0.00 179.45 179.02 1xne h SER 18 N 0.78 0.00 0.00 0.86 4.64 0.09 -3.47 113.55 116.44 1xne h SER 18 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1xne h SER 18 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1xne h SER 18 CO -0.38 0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1xne n GLY 19 N -0.08 2.82 0.46 -0.77 0.00 0.28 -4.90 105.19 102.99 1xne n GLY 19 Ca -0.01 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.37 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 0.83 0.10 -6.54 1.61 1.57 -1.72 -3.33 116.57 109.09 1xne h LYS 20 Ca 0.00 -0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1xne h LYS 20 Cb 0.00 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1xne h LYS 20 CO 0.00 0.07 1.06 0.21 -0.57 0.00 0.00 179.45 180.22 1xne s LYS 21 N -5.32 3.59 0.00 3.15 2.47 -1.19 -4.74 119.74 117.70 1xne s LYS 21 Ca -0.08 0.92 0.00 0.00 -1.56 0.00 0.00 55.97 55.25 1xne s LYS 21 Cb 0.30 -4.02 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 1xne s LYS 21 CO 0.82 -1.55 0.00 0.54 0.16 0.00 0.00 175.35 175.32 1xne n ARG 22 N 8.05 0.00 -3.67 4.03 3.00 -1.25 -4.78 116.66 122.04 1xne n ARG 22 Ca 0.16 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.63 1xne n ARG 22 Cb 0.48 -0.65 -0.11 0.00 0.00 0.00 0.00 32.46 32.19 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 -1.94 5.14 -0.34 0.55 1.01 -1.26 -2.29 121.20 122.07 1xne s ILE 23 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 1xne s ILE 23 Cb 0.00 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 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 1.41 3.35 -0.21 2.79 2.12 0.31 -4.56 118.70 123.90 1xne s GLU 24 Ca 0.07 -0.74 -0.07 0.00 0.36 0.00 0.00 54.97 54.59 1xne s GLU 24 Cb -0.15 -3.75 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1xne s GLU 24 CO 0.07 -0.49 0.07 0.08 -0.54 0.00 0.00 175.26 174.45 1xne s VAL 25 N 1.68 4.56 -0.43 3.70 1.01 -1.26 -1.24 120.40 128.41 1xne s VAL 25 Ca 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1xne s VAL 25 Cb -0.18 -3.09 0.23 0.00 0.00 0.00 0.00 36.38 33.34 1xne s VAL 25 CO 0.09 0.40 0.97 -1.14 0.00 0.00 0.00 175.10 175.42 1xne n ARG 26 N 4.20 0.41 0.00 2.72 0.63 -1.25 -5.07 116.66 118.30 1xne n ARG 26 Ca -0.16 -1.37 0.00 0.00 -0.92 0.00 0.00 57.85 55.40 1xne n ARG 26 Cb 0.52 -0.81 0.00 0.00 0.45 0.00 0.00 32.46 32.62 1xne n ARG 26 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1xne n VAL 27 N 2.22 0.00 -2.80 5.15 0.24 -1.26 -4.34 118.33 117.53 1xne n VAL 27 Ca 0.11 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.30 1xne n VAL 27 Cb 0.63 0.00 0.03 0.00 -1.47 0.00 0.00 33.84 33.03 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xne n ALA 28 N 1.98 2.61 -1.92 2.33 0.00 -1.26 -3.37 120.51 120.89 1xne n ALA 28 Ca 0.00 -2.91 -0.29 0.00 0.00 0.00 0.00 53.44 50.24 1xne n ALA 28 Cb 0.00 -0.95 0.13 0.00 0.00 0.00 0.00 19.45 18.63 1xne n ALA 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1xne s TYR 29 N -2.41 2.30 0.78 0.00 1.51 -1.26 -4.69 117.35 113.58 1xne s TYR 29 Ca 0.29 0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 56.76 1xne s TYR 29 Cb 0.42 -3.77 0.06 0.00 -0.11 0.00 0.00 41.96 38.56 1xne s TYR 29 CO -0.01 -2.17 1.09 -1.25 -1.11 0.00 0.00 175.55 172.10 1xne s PRO 30 N -5.70 2.22 0.00 -1.71 0.04 -1.26 0.14 135.00 128.73 1xne s PRO 30 Ca 0.68 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1xne s PRO 30 Cb -0.08 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1xne s PRO 30 CO 0.51 -1.54 0.00 0.94 0.04 0.00 0.00 177.00 176.95 1xne n GLN 31 N -3.38 0.00 0.10 4.56 7.27 -1.26 -4.51 117.38 120.16 1xne n GLN 31 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.14 1xne n GLN 31 Cb 0.56 -3.01 0.00 0.00 2.41 0.00 0.00 30.24 30.20 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 0.00 -0.25 -0.20 1.69 4.32 -1.23 -4.82 117.00 116.51 1xne n LEU 32 Ca 0.00 0.35 0.30 0.00 -0.02 0.00 0.00 56.01 56.63 1xne n LEU 32 Cb 0.00 0.39 0.73 0.00 -1.62 0.00 0.00 43.42 42.92 1xne n LEU 32 CO 0.00 -0.66 1.27 0.07 -1.22 0.00 0.00 177.39 176.85 1xne h LYS 33 N 0.00 0.00 -0.17 3.23 5.09 -0.53 1.46 116.57 125.65 1xne h LYS 33 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.70 1xne h LYS 33 Cb 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.32 1xne h LYS 33 CO 0.00 0.00 -0.06 0.22 -2.09 0.00 0.00 179.45 177.52 1xne h ASP 34 N 0.00 0.24 -2.03 7.07 1.82 -1.88 -3.44 116.42 118.20 1xne h ASP 34 Ca 0.45 -0.04 -0.58 0.00 -0.39 0.00 0.00 57.03 56.47 1xne h ASP 34 Cb 1.83 -0.06 0.20 0.00 0.68 0.00 0.00 39.33 41.98 1xne h ASP 34 CO -0.00 0.34 -1.36 0.00 -1.61 0.00 0.00 179.24 176.60 1xne n ILE 35 N -4.33 0.04 -3.76 2.25 0.13 0.50 -4.98 119.36 109.22 1xne n ILE 35 Ca -0.00 -0.50 -0.07 0.00 -1.10 0.00 0.00 62.75 61.07 1xne n ILE 35 Cb 0.22 -0.02 0.03 0.00 -0.84 0.00 0.00 39.64 39.03 1xne n ILE 35 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 1xne n LYS 36 N 1.77 0.98 -2.42 9.51 2.85 -1.26 -4.98 118.16 124.61 1xne n LYS 36 Ca 0.05 -1.96 -0.39 0.00 -1.05 0.00 0.00 58.31 54.96 1xne n LYS 36 Cb 0.50 2.47 -0.04 0.00 -0.65 0.00 0.00 35.03 37.31 1xne n LYS 36 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1xne s ARG 37 N -2.08 4.43 0.00 -1.58 3.00 -1.26 -3.19 118.95 118.28 1xne s ARG 37 Ca 0.16 1.80 0.00 0.00 -1.00 0.00 0.00 55.73 56.68 1xne s ARG 37 Cb -0.04 -2.98 0.00 0.00 0.00 0.00 0.00 34.95 31.93 1xne s ARG 37 CO 0.10 0.03 0.00 0.41 0.00 0.00 0.00 175.30 175.84 1xne n GLY 38 N 0.91 0.80 4.00 8.12 0.00 -1.23 -5.04 105.19 112.76 1xne n GLY 38 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1xne n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xne s ASP 39 N -1.84 4.99 -0.00 1.61 1.11 -1.19 -4.25 116.67 117.10 1xne s ASP 39 Ca 0.00 -0.39 0.06 0.00 0.18 0.00 0.00 52.55 52.40 1xne s ASP 39 Cb 0.00 -0.28 -0.02 0.00 1.07 0.00 0.00 42.92 43.70 1xne s ASP 39 CO 0.00 -1.36 -0.20 -0.75 1.18 0.00 0.00 175.17 174.04 1xne s LYS 40 N -4.80 1.54 -0.15 8.23 2.20 0.49 -1.22 119.74 126.04 1xne s LYS 40 Ca 0.61 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 55.50 1xne s LYS 40 Cb -0.08 -1.52 0.01 0.00 -1.51 0.00 0.00 37.83 34.73 1xne s LYS 40 CO 0.40 0.41 -0.20 0.42 -0.36 0.00 0.00 175.35 176.02 1xne s ILE 41 N -0.52 2.24 -0.20 5.43 1.01 0.51 -0.50 121.20 129.17 1xne s ILE 41 Ca 0.07 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.73 1xne s ILE 41 Cb -0.08 -1.92 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1xne s ILE 41 CO -0.00 0.54 0.07 -0.63 0.00 0.00 0.00 174.94 174.92 1xne s ILE 42 N 0.85 4.69 -0.21 2.92 -1.09 0.36 0.53 121.20 129.25 1xne s ILE 42 Ca -0.06 -0.06 -0.07 0.00 -2.23 0.00 0.00 60.65 58.24 1xne s ILE 42 Cb -0.15 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1xne s ILE 42 CO -0.02 0.42 0.05 -0.36 -1.23 0.00 0.00 174.94 173.79 1xne s PHE 43 N 0.77 3.12 -2.13 3.97 0.08 -0.77 0.16 117.98 123.18 1xne s PHE 43 Ca 0.04 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1xne s PHE 43 Cb -0.13 -2.14 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 1xne s PHE 43 CO 0.02 -0.14 0.00 0.09 -0.10 0.00 0.00 175.22 175.09 1xne n ASN 44 N 4.24 -5.48 -3.69 1.36 4.13 0.24 -2.81 115.26 113.25 1xne n ASN 44 Ca -0.16 0.50 -0.23 0.00 1.68 0.00 0.00 54.58 56.36 1xne n ASN 44 Cb 0.52 -4.78 0.01 0.00 -1.54 0.00 0.00 39.78 33.98 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 -1.35 -5.34 0.03 6.41 -0.08 -1.26 -4.76 116.55 110.20 1xne n ASP 45 Ca -0.20 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.22 1xne n ASP 45 Cb 0.68 -2.48 0.00 0.00 2.34 0.00 0.00 41.12 41.65 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1xne n LEU 46 N -2.92 -0.51 -4.39 -2.67 7.94 -1.12 -5.09 117.00 108.24 1xne n LEU 46 Ca -0.22 0.14 -0.41 0.00 -1.11 0.00 0.00 56.01 54.42 1xne n LEU 46 Cb 0.64 0.76 -0.11 0.00 0.53 0.00 0.00 43.42 45.24 1xne n LEU 46 CO 0.63 -0.22 -0.15 -0.63 -1.11 0.00 0.00 177.39 175.92 1xne s ILE 47 N -2.00 4.68 0.67 1.96 1.01 -1.16 -4.99 121.20 121.37 1xne s ILE 47 Ca 0.00 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 1xne s ILE 47 Cb 0.00 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.87 1xne s ILE 47 CO 0.00 -0.23 1.06 -2.16 0.00 0.00 0.00 174.94 173.61 1xne s PRO 48 N 1.58 3.04 -0.02 2.79 0.04 -1.26 -1.84 135.00 139.33 1xne s PRO 48 Ca 0.03 1.00 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 1xne s PRO 48 Cb -0.19 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1xne s PRO 48 CO 0.07 -1.02 0.37 0.00 0.04 0.00 0.00 177.00 176.46 1xne s ALA 49 N -2.92 -0.93 -0.06 8.56 0.00 0.19 -2.40 121.76 124.20 1xne s ALA 49 Ca 0.59 0.46 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1xne s ALA 49 Cb -0.14 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1xne s ALA 49 CO 0.51 -0.28 -0.12 -2.00 0.00 0.00 0.00 175.76 173.87 1xne s GLU 50 N -1.35 2.58 -0.12 0.00 2.12 -0.38 0.19 118.70 121.75 1xne s GLU 50 Ca -0.13 -0.65 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 1xne s GLU 50 Cb -0.04 -2.45 -0.02 0.00 0.26 0.00 0.00 34.13 31.88 1xne s GLU 50 CO 0.05 0.63 1.32 0.08 -0.54 0.00 0.00 175.26 176.80 1xne s VAL 51 N -0.75 4.15 -0.16 3.70 1.01 -0.36 0.75 120.40 128.73 1xne s VAL 51 Ca 0.12 1.41 -0.21 0.00 0.00 0.00 0.00 61.98 63.30 1xne s VAL 51 Cb -0.11 -3.91 -0.23 0.00 0.00 0.00 0.00 36.38 32.13 1xne s VAL 51 CO 0.01 -0.10 0.42 0.58 0.00 0.00 0.00 175.10 176.01 1xne h VAL 52 N 5.40 1.10 -1.28 2.92 2.07 0.32 -3.26 116.25 123.52 1xne h VAL 52 Ca -0.30 -2.28 0.16 0.00 0.82 0.00 0.00 66.70 65.10 1xne h VAL 52 Cb 1.13 2.59 -0.27 0.00 -1.52 0.00 0.00 31.29 33.22 1xne h VAL 52 CO 0.95 0.50 0.76 -0.70 0.02 0.00 0.00 177.57 179.10 1xne s GLU 53 N -2.38 0.28 -0.06 1.57 2.56 -0.62 -4.84 118.70 115.21 1xne s GLU 53 Ca -0.24 0.13 0.04 0.00 0.00 0.00 0.00 54.97 54.89 1xne s GLU 53 Cb 0.04 0.13 0.00 0.00 2.00 0.00 0.00 34.13 36.30 1xne s GLU 53 CO 0.67 -0.07 -0.17 0.08 -0.56 0.00 0.00 175.26 175.21 1xne s VAL 54 N -0.75 1.43 -0.00 3.70 1.01 -1.26 -0.19 120.40 124.35 1xne s VAL 54 Ca 0.05 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1xne s VAL 54 Cb -0.02 -1.26 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1xne s VAL 54 CO -0.06 0.42 -0.03 -0.54 0.00 0.00 0.00 175.10 174.88 1xne s LYS 55 N 0.31 0.28 0.08 2.72 1.02 -0.90 -5.01 119.74 118.24 1xne s LYS 55 Ca -0.10 -0.14 0.05 0.00 0.02 0.00 0.00 55.97 55.79 1xne s LYS 55 Cb -0.14 -0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 36.87 1xne s LYS 55 CO 0.04 0.07 -0.01 0.21 -0.92 0.00 0.00 175.35 174.74 1xne s LYS 56 N -0.13 2.52 0.30 1.68 2.20 -1.26 -1.62 119.74 123.44 1xne s LYS 56 Ca 0.01 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.79 1xne s LYS 56 Cb -0.02 -2.52 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 1xne s LYS 56 CO -0.00 0.55 0.34 0.71 -0.36 0.00 0.00 175.35 176.58 1xne s TYR 57 N -1.27 1.28 -0.13 4.03 2.02 -1.02 -5.00 117.35 117.27 1xne s TYR 57 Ca 0.24 -1.40 -0.05 0.00 -0.37 0.00 0.00 57.07 55.50 1xne s TYR 57 Cb -0.12 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 41.02 1xne s TYR 57 CO 0.17 -0.93 0.04 -1.83 -1.57 0.00 0.00 175.55 171.43 1xne s GLU 58 N -3.49 3.42 0.33 -0.62 -1.05 -1.26 -4.70 118.70 111.34 1xne s GLU 58 Ca 0.35 -0.35 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 1xne s GLU 58 Cb 0.02 -3.00 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 1xne s GLU 58 CO 0.21 0.55 0.00 2.41 0.95 0.00 0.00 175.26 179.37 1xne n THR 59 N 2.65 -5.10 -0.28 1.83 -1.04 -1.26 -4.20 114.28 106.88 1xne n THR 59 Ca -0.18 2.28 -0.05 0.00 -2.04 0.00 0.00 64.05 64.07 1xne n THR 59 Cb 0.53 -3.12 0.07 0.00 -1.82 0.00 0.00 70.33 65.99 1xne n THR 59 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1xne h PHE 60 N 2.59 1.00 -0.55 -1.42 -5.15 -1.92 -2.45 116.94 109.03 1xne h PHE 60 Ca 0.00 0.01 0.09 0.00 -0.20 0.00 0.00 57.97 57.87 1xne h PHE 60 Cb 0.00 -0.33 -0.07 0.00 0.22 0.00 0.00 35.95 35.77 1xne h PHE 60 CO 0.00 0.65 0.15 -0.09 -2.00 0.00 0.00 178.31 177.02 1xne h ARG 61 N 1.05 0.29 -0.70 6.09 1.12 -1.94 -0.57 114.38 119.71 1xne h ARG 61 Ca 0.28 -0.02 0.07 0.00 -1.11 0.00 0.00 59.98 59.20 1xne h ARG 61 Cb -0.07 -0.07 -0.06 0.00 -0.01 0.00 0.00 29.97 29.76 1xne h ARG 61 CO -0.06 0.19 0.38 0.37 -3.11 0.00 0.00 179.97 177.75 1xne h GLN 62 N 0.30 0.66 -0.29 0.20 -0.00 -1.61 0.21 115.11 114.58 1xne h GLN 62 Ca 0.28 -0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.97 1xne h GLN 62 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1xne h GLN 62 CO -0.33 0.44 0.22 0.28 0.00 0.00 0.00 178.83 179.44 1xne h VAL 63 N 0.68 0.77 0.00 2.39 2.07 -0.85 0.73 116.25 122.03 1xne h VAL 63 Ca 0.33 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.76 1xne h VAL 63 Cb 0.26 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xne h VAL 63 CO -0.22 0.00 -0.39 -0.07 0.02 0.00 0.00 177.57 176.91 1xne h LEU 64 N 0.00 0.00 0.18 2.57 4.07 -0.04 0.17 115.31 122.27 1xne h LEU 64 Ca 0.14 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.85 1xne h LEU 64 Cb 0.58 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.35 1xne h LEU 64 CO -0.00 0.39 -1.13 0.03 -1.08 0.00 0.00 178.44 176.65 1xne h ARG 65 N 0.00 0.39 0.11 1.13 3.08 0.12 -3.39 114.38 115.81 1xne h ARG 65 Ca -0.00 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.38 1xne h ARG 65 Cb 1.19 0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1xne h ARG 65 CO 0.05 1.32 -0.05 0.93 -1.07 0.00 0.00 179.97 181.15 1xne h GLU 66 N -0.17 -0.14 -6.91 0.04 4.39 -0.66 -3.46 114.58 107.67 1xne h GLU 66 Ca -0.20 0.01 -0.49 0.00 0.34 0.00 0.00 59.36 59.02 1xne h GLU 66 Cb 1.86 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 1xne h GLU 66 CO 0.19 0.05 0.17 -1.21 -1.16 0.00 0.00 179.01 177.05 1xne s GLU 67 N -2.21 3.86 0.98 2.33 0.41 0.59 -5.07 118.70 119.60 1xne s GLU 67 Ca -0.05 0.62 -0.15 0.00 -0.41 0.00 0.00 54.97 54.98 1xne s GLU 67 Cb -0.00 -2.34 0.18 0.00 -1.78 0.00 0.00 34.13 30.20 1xne s GLU 67 CO 0.17 -0.06 1.17 -1.25 -0.49 0.00 0.00 175.26 174.81 1xne s PRO 68 N -3.75 0.53 -0.11 0.39 0.04 -1.26 -4.33 135.00 126.50 1xne s PRO 68 Ca 0.54 0.06 0.05 0.00 0.04 0.00 0.00 61.00 61.69 1xne s PRO 68 Cb -0.10 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.54 1xne s PRO 68 CO 0.29 -2.57 -0.03 -0.89 0.04 0.00 0.00 177.00 173.84 1xne n ILE 69 N -3.98 0.71 -0.16 0.56 5.41 -1.26 -4.17 119.36 116.47 1xne n ILE 69 Ca 0.10 -0.36 -0.02 0.00 1.00 0.00 0.00 62.75 63.47 1xne n ILE 69 Cb 0.59 -0.83 0.06 0.00 -0.71 0.00 0.00 39.64 38.75 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 -0.22 0.52 4.38 2.03 -1.96 1.27 116.42 122.44 1xne h ASP 70 Ca -0.28 0.12 -0.03 0.00 -0.73 0.00 0.00 57.03 56.12 1xne h ASP 70 Cb 1.54 0.22 0.01 0.00 -0.83 0.00 0.00 39.33 40.27 1xne h ASP 70 CO -0.01 -0.08 -0.25 0.11 -1.03 0.00 0.00 179.24 177.98 1xne h LYS 71 N 0.11 -0.67 -0.45 4.15 1.57 -1.86 -3.01 116.57 116.41 1xne h LYS 71 Ca 0.25 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 1xne h LYS 71 Cb 0.39 0.15 -0.10 0.00 0.08 0.00 0.00 32.23 32.75 1xne h LYS 71 CO -0.43 -0.37 -0.25 0.82 -0.57 0.00 0.00 179.45 178.65 1xne h ILE 72 N -0.92 0.32 -3.33 1.86 2.04 -1.56 -3.35 117.51 112.56 1xne h ILE 72 Ca -0.07 0.00 -0.47 0.00 1.00 0.00 0.00 64.86 65.32 1xne h ILE 72 Cb 0.61 0.32 -0.36 0.00 -0.74 0.00 0.00 36.82 36.65 1xne h ILE 72 CO 0.12 0.00 -0.79 -0.36 0.00 0.00 0.00 178.15 177.12 1xne s PHE 73 N -6.09 1.05 -0.13 1.37 0.40 0.43 -4.82 117.98 110.20 1xne s PHE 73 Ca -0.14 -0.40 0.27 0.00 -0.60 0.00 0.00 56.93 56.06 1xne s PHE 73 Cb 0.15 -0.92 0.81 0.00 0.51 0.00 0.00 43.02 43.58 1xne s PHE 73 CO 0.70 -0.32 1.78 -1.00 0.70 0.00 0.00 175.22 177.08 1xne h PRO 74 N 7.65 0.00 -0.02 0.24 0.13 -1.74 -2.93 132.00 135.33 1xne h PRO 74 Ca -0.30 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 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 0.41 0.06 0.04 -0.44 -0.23 0.00 0.00 178.00 177.84 1xne h ASP 75 N 0.00 0.00 -5.14 1.44 3.32 -1.91 -3.46 116.42 110.67 1xne h ASP 75 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1xne h ASP 75 Cb 0.79 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.45 1xne h ASP 75 CO 0.01 0.00 -0.44 0.29 -1.72 0.00 0.00 179.24 177.38 1xne n LYS 76 N -3.57 -1.64 -1.52 3.56 5.02 -1.11 -5.01 118.16 113.89 1xne n LYS 76 Ca -0.02 1.03 -0.30 0.00 -2.02 0.00 0.00 58.31 57.00 1xne n LYS 76 Cb 0.12 -5.31 0.19 0.00 -0.02 0.00 0.00 35.03 30.01 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 -3.71 0.08 0.12 1.97 0.04 -1.26 -5.07 135.00 127.17 1xne s PRO 77 Ca 0.24 -0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.18 1xne s PRO 77 Cb -0.03 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.72 1xne s PRO 77 CO 0.66 -2.84 0.24 -1.12 0.04 0.00 0.00 177.00 173.99 1xne s SER 78 N -4.32 6.26 0.31 6.66 0.01 -1.26 -4.87 113.70 116.49 1xne s SER 78 Ca 0.70 0.17 0.08 0.00 1.31 0.00 0.00 55.95 58.22 1xne s SER 78 Cb -0.09 -1.88 0.88 0.00 0.21 0.00 0.00 66.02 65.14 1xne s SER 78 CO 0.54 0.09 1.69 0.15 0.41 0.00 0.00 173.24 176.12 1xne h PHE 79 N 2.49 0.79 -0.02 2.43 3.04 -1.98 1.17 116.94 124.86 1xne h PHE 79 Ca -0.47 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.42 1xne h PHE 79 Cb 1.18 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 39.50 1xne h PHE 79 CO 0.56 -0.08 -0.36 1.49 -2.02 0.00 0.00 178.31 177.90 1xne h GLU 80 N 0.40 0.28 -0.08 1.11 4.81 -1.98 -2.43 114.58 116.68 1xne h GLU 80 Ca 0.63 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1xne h GLU 80 Cb 1.30 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 1xne h GLU 80 CO -0.56 0.96 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.40 1xne h LYS 81 N -0.29 -0.08 -0.82 1.92 3.11 -1.28 0.16 116.57 119.29 1xne h LYS 81 Ca -0.04 0.01 0.09 0.00 -2.81 0.00 0.00 60.65 57.89 1xne h LYS 81 Cb 1.08 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 32.27 1xne h LYS 81 CO 0.07 -0.05 0.54 0.00 -2.81 0.00 0.00 179.45 177.20 1xne h ALA 82 N 0.99 1.69 -0.61 5.00 0.00 0.12 1.07 119.26 127.53 1xne h ALA 82 Ca 0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1xne h ALA 82 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xne h ALA 82 CO -0.13 0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.63 1xne h LEU 83 N 0.81 0.95 0.16 0.00 6.46 -0.65 -0.57 115.31 122.48 1xne h LEU 83 Ca 0.37 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1xne h LEU 83 Cb 0.38 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1xne h LEU 83 CO -0.15 0.97 -0.08 0.11 -0.62 0.00 0.00 178.44 178.67 1xne h LYS 84 N 0.90 -0.21 -0.74 1.25 1.57 0.14 -3.24 116.57 116.25 1xne h LYS 84 Ca 0.19 0.01 0.17 0.00 -1.87 0.00 0.00 60.65 59.15 1xne h LYS 84 Cb 0.41 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 1xne h LYS 84 CO 0.01 0.21 0.01 0.00 -0.57 0.00 0.00 179.45 179.12 1xne h ARG 85 N -0.80 0.11 -6.63 3.15 2.47 0.11 -3.33 114.38 109.46 1xne h ARG 85 Ca -0.02 -0.01 -0.57 0.00 -1.26 0.00 0.00 59.98 58.12 1xne h ARG 85 Cb 0.53 -0.02 0.08 0.00 -1.65 0.00 0.00 29.97 28.90 1xne h ARG 85 CO 0.04 0.07 0.67 1.19 0.56 0.00 0.00 179.97 182.50 1xne n PHE 86 N -5.33 2.30 0.00 3.04 3.72 -0.23 -1.65 117.46 119.32 1xne n PHE 86 Ca 0.13 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 1xne n PHE 86 Cb 0.46 -2.49 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 1xne n PHE 86 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1xne n HIS 87 N 1.98 0.00 -0.86 1.38 8.25 -1.26 -4.95 115.22 119.76 1xne n HIS 87 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.23 1xne n HIS 87 Cb 0.32 0.00 0.10 0.00 1.12 0.00 0.00 29.99 31.53 1xne n HIS 87 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1xne n ASN 88 N 2.35 -3.39 -1.12 0.41 2.85 -0.66 -4.70 115.26 111.00 1xne n ASN 88 Ca 0.00 0.15 0.13 0.00 -0.11 0.00 0.00 54.58 54.75 1xne n ASN 88 Cb 0.00 -0.93 -0.03 0.00 1.24 0.00 0.00 39.78 40.06 1xne n ASN 88 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1xne n MET 89 N -0.01 -1.95 -1.30 1.20 2.81 -1.26 -5.02 117.12 111.59 1xne n MET 89 Ca 0.02 1.29 0.15 0.00 -1.81 0.00 0.00 57.70 57.34 1xne n MET 89 Cb 0.59 -2.38 -0.08 0.00 -0.71 0.00 0.00 33.22 30.64 1xne n MET 89 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1xne n TYR 90 N -3.29 -3.23 -2.02 2.03 4.01 -1.26 -4.24 117.16 109.16 1xne n TYR 90 Ca 0.01 1.79 -0.38 0.00 -0.16 0.00 0.00 57.90 59.15 1xne n TYR 90 Cb 0.44 -2.94 -0.03 0.00 -0.31 0.00 0.00 39.34 36.50 1xne n TYR 90 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xne n PRO 91 N -4.14 2.33 -3.47 -0.72 -0.04 -1.26 -4.75 135.00 122.96 1xne n PRO 91 Ca -0.08 -2.65 0.01 0.00 -0.04 0.00 0.00 63.50 60.74 1xne n PRO 91 Cb 0.57 -3.43 -0.04 0.00 -0.04 0.00 0.00 33.50 30.56 1xne n PRO 91 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1xne s LYS 92 N 4.90 0.37 -0.05 0.54 2.36 -1.26 -5.17 119.74 121.44 1xne s LYS 92 Ca 0.58 0.93 -0.22 0.00 -2.55 0.00 0.00 55.97 54.71 1xne s LYS 92 Cb 0.06 0.56 0.05 0.00 -1.05 0.00 0.00 37.83 37.45 1xne s LYS 92 CO 0.08 -0.13 0.50 1.67 1.55 0.00 0.00 175.35 179.01 1xne s TRP 93 N 2.58 -0.43 0.04 4.03 -2.14 -1.26 -4.77 118.94 116.99 1xne s TRP 93 Ca -0.03 0.77 0.00 0.00 2.66 0.00 0.00 56.10 59.49 1xne s TRP 93 Cb -0.08 0.25 0.00 0.00 -3.10 0.00 0.00 33.47 30.54 1xne s TRP 93 CO -0.18 -0.48 0.00 1.17 -2.66 0.00 0.00 176.95 174.80 1xne n LYS 94 N 1.26 -0.59 -1.32 3.25 4.81 -1.26 -5.04 118.16 119.27 1xne n LYS 94 Ca -0.20 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 1xne n LYS 94 Cb 0.56 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 35.14 1xne n LYS 94 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1xne n GLU 95 N -0.40 -3.57 -3.22 1.64 2.13 -1.26 -4.95 120.64 111.01 1xne n GLU 95 Ca 0.00 2.73 -0.27 0.00 0.66 0.00 0.00 57.16 60.28 1xne n GLU 95 Cb 0.00 -3.29 -0.02 0.00 0.27 0.00 0.00 31.44 28.40 1xne n GLU 95 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1xne s TYR 96 N -4.49 3.50 0.15 4.31 1.13 -1.26 -5.11 117.35 115.57 1xne s TYR 96 Ca 0.00 0.62 0.00 0.00 -1.41 0.00 0.00 57.07 56.28 1xne s TYR 96 Cb 0.00 -2.10 0.00 0.00 -1.10 0.00 0.00 41.96 38.76 1xne s TYR 96 CO 0.00 0.08 0.02 0.54 -2.51 0.00 0.00 175.55 173.68 1xne n ARG 97 N -1.37 1.57 -3.87 -3.49 1.74 -1.26 -5.14 116.66 104.84 1xne n ARG 97 Ca -0.02 -1.03 -0.35 0.00 -0.77 0.00 0.00 57.85 55.68 1xne n ARG 97 Cb 0.55 0.25 -0.05 0.00 -1.02 0.00 0.00 32.46 32.18 1xne n ARG 97 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1xne s TYR 98 N -1.37 3.57 0.00 -1.55 5.04 -1.26 -5.05 117.35 116.73 1xne s TYR 98 Ca 0.02 0.45 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 1xne s TYR 98 Cb -0.00 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.42 1xne s TYR 98 CO 0.01 0.67 0.00 0.41 -1.34 0.00 0.00 175.55 175.30 1xne n GLY 99 N 1.29 3.04 2.66 8.97 0.00 -1.26 -4.69 105.19 115.20 1xne n GLY 99 Ca -0.14 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1xne n GLY 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xne n VAL 100 N 0.00 0.00 -4.87 1.61 3.14 -1.26 -4.19 118.33 112.76 1xne n VAL 100 Ca 0.00 -0.66 -0.27 0.00 -2.96 0.00 0.00 64.34 60.45 1xne n VAL 100 Cb 0.00 1.08 -0.16 0.00 -1.06 0.00 0.00 33.84 33.70 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 -0.64 1.90 -0.35 6.55 0.20 -1.22 -2.43 118.68 122.70 1xne s LEU 101 Ca 0.23 -0.39 -0.03 0.00 0.69 0.00 0.00 54.13 54.63 1xne s LEU 101 Cb 0.25 -1.04 0.07 0.00 -0.43 0.00 0.00 46.19 45.04 1xne s LEU 101 CO -0.14 0.14 0.10 0.00 -0.29 0.00 0.00 176.35 176.16 1xne s ALA 102 N 0.20 3.00 -0.15 5.97 0.00 -0.64 -3.80 121.76 126.34 1xne s ALA 102 Ca -0.08 -2.04 -0.12 0.00 0.00 0.00 0.00 51.96 49.72 1xne s ALA 102 Cb -0.14 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.74 1xne s ALA 102 CO 0.04 -1.48 0.23 0.42 0.00 0.00 0.00 175.76 174.96 1xne s ILE 103 N 1.25 5.35 -0.27 0.00 1.01 -0.38 -2.12 121.20 126.05 1xne s ILE 103 Ca 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 1xne s ILE 103 Cb -0.21 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1xne s ILE 103 CO -0.01 0.46 -0.02 -0.54 0.00 0.00 0.00 174.94 174.83 1xne s LYS 104 N 0.03 2.81 0.13 2.79 1.02 0.74 0.12 119.74 127.37 1xne s LYS 104 Ca 0.14 -1.01 0.07 0.00 0.02 0.00 0.00 55.97 55.20 1xne s LYS 104 Cb -0.13 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1xne s LYS 104 CO 0.03 -0.45 -0.18 -0.59 -0.92 0.00 0.00 175.35 173.24 1xne s PHE 105 N 1.35 1.65 -0.23 3.18 -0.12 -0.97 0.99 117.98 123.84 1xne s PHE 105 Ca -0.00 -0.48 0.01 0.00 -0.05 0.00 0.00 56.93 56.41 1xne s PHE 105 Cb -0.17 -0.86 0.05 0.00 -0.63 0.00 0.00 43.02 41.41 1xne s PHE 105 CO -0.02 0.23 -0.09 0.50 -0.05 0.00 0.00 175.22 175.79 1xne s ARG 106 N -2.44 1.95 0.11 1.99 3.52 0.23 -4.70 118.95 119.60 1xne s ARG 106 Ca 0.10 -1.03 -0.33 0.00 -0.13 0.00 0.00 55.73 54.34 1xne s ARG 106 Cb -0.07 -2.61 -0.12 0.00 -1.56 0.00 0.00 34.95 30.58 1xne s ARG 106 CO 0.05 -0.53 1.72 1.55 -0.81 0.00 0.00 175.30 177.28 1xne n VAL 107 N 4.61 0.21 -2.81 7.11 3.14 -1.26 -1.24 118.33 128.09 1xne n VAL 107 Ca -0.14 -0.04 -0.41 0.00 -2.96 0.00 0.00 64.34 60.80 1xne n VAL 107 Cb 0.44 -1.80 -0.04 0.00 -1.06 0.00 0.00 33.84 31.38 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 2.02 4.44 0.00 6.55 1.43 -1.01 -4.43 118.68 127.68 1xne s LEU 108 Ca 0.82 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 1xne s LEU 108 Cb -0.61 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.15 1xne s LEU 108 CO 0.40 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.48 1xne n GLY 109 N 2.53 1.50 3.23 -3.19 0.00 -1.26 -4.71 105.19 103.28 1xne n GLY 109 Ca 0.02 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1xne n GLY 109 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xne n ARG 110 N 0.00 -0.66 -2.53 1.61 0.63 -1.26 -4.88 116.66 109.56 1xne n ARG 110 Ca 0.00 -0.17 -0.41 0.00 -0.92 0.00 0.00 57.85 56.35 1xne n ARG 110 Cb 0.00 -1.52 -0.04 0.00 0.45 0.00 0.00 32.46 31.35 1xne n ARG 110 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 1xne s ASP 111 N -1.62 7.33 1.28 6.15 -4.77 -1.26 -5.02 116.67 118.75 1xne s ASP 111 Ca 0.50 2.15 -0.18 0.00 -3.30 0.00 0.00 52.55 51.72 1xne s ASP 111 Cb -0.12 -2.62 0.32 0.00 -1.09 0.00 0.00 42.92 39.41 1xne s ASP 111 CO 0.69 -0.13 1.00 -0.54 0.70 0.00 0.00 175.17 176.90 1xne s LYS 112 N -0.99 -1.81 0.00 2.11 1.02 -1.26 -5.17 119.74 113.64 1xne s LYS 112 Ca 0.46 0.31 0.30 0.00 0.02 0.00 0.00 55.97 57.06 1xne s LYS 112 Cb -0.30 -1.49 1.54 0.00 -0.52 0.00 0.00 37.83 37.06 1xne s LYS 112 CO 0.37 -4.18 2.02 -1.91 -0.92 0.00 0.00 175.35 170.73