#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 2.51 -0.11 2.12 2.20 -1.26 -4.69 119.74 120.51 1xne s LYS 2 Ca 0.00 1.09 0.03 0.00 -0.36 0.00 0.00 55.97 56.73 1xne s LYS 2 Cb 0.00 -1.93 -0.00 0.00 -1.51 0.00 0.00 37.83 34.39 1xne s LYS 2 CO 0.00 -1.44 -0.21 0.08 -0.36 0.00 0.00 175.35 173.42 1xne s VAL 3 N -2.95 2.29 -0.24 4.02 1.01 -1.25 0.12 120.40 123.40 1xne s VAL 3 Ca 0.60 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.66 1xne s VAL 3 Cb -0.16 -1.90 0.04 0.00 0.00 0.00 0.00 36.38 34.37 1xne s VAL 3 CO 0.55 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.78 1xne s TYR 4 N 0.35 3.10 -0.51 5.22 1.51 0.13 -4.97 117.35 122.19 1xne s TYR 4 Ca -0.17 -1.97 -0.22 0.00 -1.01 0.00 0.00 57.07 53.70 1xne s TYR 4 Cb -0.17 -1.96 0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1xne s TYR 4 CO 0.08 -0.83 0.79 1.03 -1.11 0.00 0.00 175.55 175.51 1xne s ARG 5 N 1.20 3.28 -0.21 -0.62 0.52 -1.26 0.19 118.95 122.06 1xne s ARG 5 Ca -0.03 -0.42 -0.07 0.00 -0.52 0.00 0.00 55.73 54.69 1xne s ARG 5 Cb -0.17 -4.03 -0.03 0.00 0.52 0.00 0.00 34.95 31.23 1xne s ARG 5 CO -0.07 -1.28 0.05 -0.51 0.02 0.00 0.00 175.30 173.51 1xne s LEU 6 N 3.32 3.59 -0.29 2.53 1.43 0.28 -4.93 118.68 124.61 1xne s LEU 6 Ca 0.25 -0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 53.03 1xne s LEU 6 Cb -0.14 -1.93 0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xne s LEU 6 CO 0.18 0.08 0.89 -0.31 0.23 0.00 0.00 176.35 177.43 1xne s TYR 7 N 0.90 3.21 0.41 0.29 2.02 -1.26 0.16 117.35 123.08 1xne s TYR 7 Ca 0.03 1.02 0.05 0.00 -0.37 0.00 0.00 57.07 57.81 1xne s TYR 7 Cb -0.14 -3.33 -0.07 0.00 -0.40 0.00 0.00 41.96 38.03 1xne s TYR 7 CO 0.02 -0.59 0.02 -0.51 -1.57 0.00 0.00 175.55 172.92 1xne s LEU 8 N 3.15 2.65 -0.01 -1.29 1.02 -1.26 -4.85 118.68 118.09 1xne s LEU 8 Ca 0.37 -1.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.06 1xne s LEU 8 Cb -0.14 -0.76 -0.04 0.00 0.02 0.00 0.00 46.19 45.27 1xne s LEU 8 CO 0.12 -0.55 0.21 -0.54 0.02 0.00 0.00 176.35 175.61 1xne s LYS 9 N -3.77 3.49 0.57 1.70 1.02 -1.26 -4.75 119.74 116.75 1xne s LYS 9 Ca 0.31 -0.23 0.33 0.00 0.02 0.00 0.00 55.97 56.40 1xne s LYS 9 Cb 0.08 -3.09 1.41 0.00 -0.52 0.00 0.00 37.83 35.71 1xne s LYS 9 CO 0.15 0.67 1.71 0.22 -0.92 0.00 0.00 175.35 177.18 1xne h ASP 10 N 3.94 0.00 -0.06 2.83 1.82 -2.01 1.62 116.42 124.57 1xne h ASP 10 Ca -0.50 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.13 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 0.67 0.00 -0.01 -0.33 -1.61 0.00 0.00 179.24 177.96 1xne h GLU 11 N 0.00 0.11 0.23 0.28 4.39 -1.99 -0.35 114.58 117.24 1xne h GLU 11 Ca 0.47 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.79 1xne h GLU 11 Cb 2.20 -0.01 0.03 0.00 -0.10 0.00 0.00 28.75 30.87 1xne h GLU 11 CO -0.00 0.45 -1.50 1.88 -1.16 0.00 0.00 179.01 178.67 1xne h TYR 12 N -0.24 0.90 -0.93 4.33 0.05 -0.03 -3.30 116.97 117.75 1xne h TYR 12 Ca 0.01 -0.66 0.03 0.00 0.05 0.00 0.00 58.73 58.17 1xne h TYR 12 Cb 0.41 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.06 1xne h TYR 12 CO 0.05 1.55 0.61 1.25 -1.05 0.00 0.00 178.16 180.57 1xne h LEU 13 N 0.14 1.02 -0.78 3.88 5.85 0.19 -1.76 115.31 123.85 1xne h LEU 13 Ca -0.26 -0.01 0.18 0.00 0.84 0.00 0.00 57.88 58.63 1xne h LEU 13 Cb 2.15 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 42.83 1xne h LEU 13 CO 0.26 0.70 0.20 -0.33 -0.34 0.00 0.00 178.44 178.93 1xne h GLU 14 N 1.19 0.27 -0.94 1.25 5.08 -1.13 0.42 114.58 120.71 1xne h GLU 14 Ca 0.37 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1xne h GLU 14 Cb -0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.13 1xne h GLU 14 CO -0.11 0.18 0.58 0.52 -1.00 0.00 0.00 179.01 179.17 1xne h MET 15 N 0.27 1.27 -0.47 2.33 2.86 -1.44 -0.19 114.93 119.57 1xne h MET 15 Ca 0.45 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.89 1xne h MET 15 Cb 0.80 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1xne h MET 15 CO -0.54 0.88 -0.09 0.28 1.06 0.00 0.00 176.91 178.50 1xne h VAL 16 N 1.30 1.27 -1.00 -2.22 2.07 -0.26 -2.42 116.25 114.99 1xne h VAL 16 Ca 0.34 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1xne h VAL 16 Cb -0.08 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1xne h VAL 16 CO -0.07 0.42 0.66 0.11 0.02 0.00 0.00 177.57 178.71 1xne h LYS 17 N 0.73 1.32 -0.01 1.57 1.79 0.25 -0.31 116.57 121.91 1xne h LYS 17 Ca 0.12 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 1xne h LYS 17 Cb 0.63 -0.30 -0.00 0.00 -1.58 0.00 0.00 32.23 30.98 1xne h LYS 17 CO 0.04 0.87 -0.14 0.66 -1.08 0.00 0.00 179.45 179.80 1xne h SER 18 N 1.36 0.02 0.00 0.86 4.64 -0.73 -3.46 113.55 116.23 1xne h SER 18 Ca 0.37 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1xne h SER 18 Cb -0.16 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1xne h SER 18 CO -0.08 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 1xne n GLY 19 N -1.10 1.31 0.16 -0.77 0.00 -0.13 -4.95 105.19 99.71 1xne n GLY 19 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 3.04 -0.30 -5.48 1.61 1.57 -1.73 -3.39 116.57 111.90 1xne h LYS 20 Ca 0.00 0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 58.34 1xne h LYS 20 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1xne h LYS 20 CO 0.00 -0.20 1.63 1.17 -0.57 0.00 0.00 179.45 181.49 1xne n LYS 21 N -5.23 0.81 -0.04 3.15 0.00 -1.05 -4.62 118.16 111.18 1xne n LYS 21 Ca -0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 58.31 58.12 1xne n LYS 21 Cb 0.15 -3.05 -0.03 0.00 0.00 0.00 0.00 35.03 32.10 1xne n LYS 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1xne n ARG 22 N 8.88 0.17 -3.54 1.64 3.00 -1.26 -4.76 116.66 120.79 1xne n ARG 22 Ca 0.43 0.07 -0.36 0.00 -0.00 0.00 0.00 57.85 57.98 1xne n ARG 22 Cb 0.44 -0.85 -0.07 0.00 0.00 0.00 0.00 32.46 31.97 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 -2.14 5.31 -0.30 5.15 1.09 -1.26 -2.17 121.20 126.88 1xne s ILE 23 Ca -0.11 0.52 -0.02 0.00 -1.10 0.00 0.00 60.65 59.94 1xne s ILE 23 Cb 0.04 -3.62 0.04 0.00 -1.06 0.00 0.00 42.46 37.86 1xne s ILE 23 CO 0.14 0.38 0.00 -0.70 -0.10 0.00 0.00 174.94 174.66 1xne s GLU 24 N 0.57 2.54 -0.31 2.79 2.12 0.10 -4.57 118.70 121.94 1xne s GLU 24 Ca 0.16 -1.19 0.03 0.00 0.36 0.00 0.00 54.97 54.33 1xne s GLU 24 Cb -0.13 -3.19 0.09 0.00 0.26 0.00 0.00 34.13 31.16 1xne s GLU 24 CO 0.04 -0.58 0.01 0.14 -0.54 0.00 0.00 175.26 174.32 1xne s VAL 25 N 1.29 2.09 -0.39 3.70 -7.23 -1.25 -1.46 120.40 117.14 1xne s VAL 25 Ca -0.04 -2.03 0.11 0.00 -1.81 0.00 0.00 61.98 58.21 1xne s VAL 25 Cb -0.19 -2.45 0.35 0.00 0.56 0.00 0.00 36.38 34.65 1xne s VAL 25 CO -0.01 -0.44 0.85 -1.14 -0.31 0.00 0.00 175.10 174.06 1xne n ARG 26 N 4.37 1.00 -1.54 4.82 0.63 -1.26 -4.98 116.66 119.70 1xne n ARG 26 Ca -0.02 -2.97 0.00 0.00 -0.92 0.00 0.00 57.85 53.94 1xne n ARG 26 Cb 0.42 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.85 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 0.27 -4.91 0.00 5.15 0.31 -1.26 -4.89 118.33 113.00 1xne n VAL 27 Ca 0.19 2.22 0.00 0.00 -0.01 0.00 0.00 64.34 66.74 1xne n VAL 27 Cb 0.68 -3.11 0.00 0.00 -0.91 0.00 0.00 33.84 30.50 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 -1.11 0.00 -1.55 3.52 0.00 -1.26 -4.76 120.51 115.35 1xne n ALA 28 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1xne n ALA 28 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 1xne n ALA 28 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xne n TYR 29 N -0.27 -4.11 -1.55 0.00 9.36 -1.26 -3.43 117.16 115.90 1xne n TYR 29 Ca 0.00 2.24 -0.30 0.00 3.32 0.00 0.00 57.90 63.16 1xne n TYR 29 Cb 0.00 -3.53 0.10 0.00 -0.63 0.00 0.00 39.34 35.27 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1xne s PRO 30 N -5.07 1.98 0.00 2.98 0.04 -1.26 -1.04 135.00 132.63 1xne s PRO 30 Ca 0.00 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1xne s PRO 30 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1xne s PRO 30 CO 0.00 -1.68 0.00 0.94 0.04 0.00 0.00 177.00 176.30 1xne n GLN 31 N -3.47 0.00 0.15 4.56 7.27 -1.26 -4.57 117.38 120.06 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 0.57 -1.86 0.00 0.00 2.41 0.00 0.00 30.24 31.36 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 -0.28 -0.34 1.69 4.77 -1.24 -4.83 117.00 116.77 1xne n LEU 32 Ca 0.00 0.51 0.24 0.00 -0.03 0.00 0.00 56.01 56.72 1xne n LEU 32 Cb 0.00 0.50 0.51 0.00 -2.33 0.00 0.00 43.42 42.10 1xne n LEU 32 CO 0.00 -0.77 1.21 0.07 -1.33 0.00 0.00 177.39 176.57 1xne h LYS 33 N 0.00 0.37 -0.70 3.23 5.09 -1.11 1.43 116.57 124.88 1xne h LYS 33 Ca 0.00 -0.02 0.11 0.00 0.09 0.00 0.00 60.65 60.82 1xne h LYS 33 Cb 0.00 -0.08 -0.05 0.00 0.10 0.00 0.00 32.23 32.20 1xne h LYS 33 CO 0.00 0.24 0.47 0.22 -2.09 0.00 0.00 179.45 178.29 1xne h ASP 34 N 0.38 0.49 -2.13 7.07 1.82 -1.89 -3.43 116.42 118.73 1xne h ASP 34 Ca 0.63 0.01 -0.57 0.00 -0.39 0.00 0.00 57.03 56.72 1xne h ASP 34 Cb 1.60 -0.09 0.22 0.00 0.68 0.00 0.00 39.33 41.74 1xne h ASP 34 CO -0.35 0.28 -1.48 0.00 -1.61 0.00 0.00 179.24 176.09 1xne n ILE 35 N -4.49 0.11 -3.91 2.25 3.06 0.49 -4.99 119.36 111.89 1xne n ILE 35 Ca 0.12 -0.48 -0.08 0.00 -2.50 0.00 0.00 62.75 59.81 1xne n ILE 35 Cb 0.38 -0.07 -0.03 0.00 0.54 0.00 0.00 39.64 40.47 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 -1.77 1.76 0.50 9.51 -2.85 -1.26 -5.00 119.74 120.63 1xne s LYS 36 Ca 0.48 -1.14 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 1xne s LYS 36 Cb -0.30 0.56 -0.06 0.00 -2.06 0.00 0.00 37.83 35.97 1xne s LYS 36 CO 0.75 -0.79 1.38 0.50 0.10 0.00 0.00 175.35 177.29 1xne s ARG 37 N -3.77 3.38 0.00 1.78 3.00 -1.26 -2.72 118.95 119.36 1xne s ARG 37 Ca 0.16 2.29 0.00 0.00 -1.00 0.00 0.00 55.73 57.18 1xne s ARG 37 Cb -0.04 -2.42 0.00 0.00 0.00 0.00 0.00 34.95 32.49 1xne s ARG 37 CO 0.08 -1.02 0.00 0.41 0.00 0.00 0.00 175.30 174.78 1xne n GLY 38 N 0.66 3.00 3.96 8.12 0.00 -1.22 -5.02 105.19 114.69 1xne n GLY 38 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.22 3.78 0.02 1.61 1.11 -1.10 -4.35 116.67 116.52 1xne s ASP 39 Ca 0.00 -0.08 0.03 0.00 0.18 0.00 0.00 52.55 52.68 1xne s ASP 39 Cb 0.00 -0.14 -0.02 0.00 1.07 0.00 0.00 42.92 43.83 1xne s ASP 39 CO 0.00 -2.26 -0.10 -0.75 1.18 0.00 0.00 175.17 173.23 1xne s LYS 40 N -5.49 0.73 -0.07 8.23 2.20 0.12 -0.99 119.74 124.47 1xne s LYS 40 Ca 0.70 -0.56 0.04 0.00 -0.36 0.00 0.00 55.97 55.78 1xne s LYS 40 Cb -0.05 -0.68 0.00 0.00 -1.51 0.00 0.00 37.83 35.60 1xne s LYS 40 CO 0.48 0.17 -0.18 0.42 -0.36 0.00 0.00 175.35 175.88 1xne s ILE 41 N -0.68 1.56 -0.28 5.43 1.01 0.42 0.19 121.20 128.85 1xne s ILE 41 Ca -0.00 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.82 1xne s ILE 41 Cb -0.06 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.03 1xne s ILE 41 CO 0.00 0.45 0.10 -0.63 0.00 0.00 0.00 174.94 174.86 1xne s ILE 42 N 0.34 4.24 -0.25 2.92 -1.09 0.49 0.53 121.20 128.38 1xne s ILE 42 Ca -0.12 -0.45 -0.23 0.00 -2.23 0.00 0.00 60.65 57.61 1xne s ILE 42 Cb -0.15 -3.11 -0.01 0.00 -1.58 0.00 0.00 42.46 37.61 1xne s ILE 42 CO 0.05 0.16 0.76 -0.36 -1.23 0.00 0.00 174.94 174.32 1xne s PHE 43 N 1.57 3.29 -0.55 3.97 0.08 0.06 0.98 117.98 127.38 1xne s PHE 43 Ca 0.04 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1xne s PHE 43 Cb -0.16 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.30 1xne s PHE 43 CO 0.04 -0.38 0.00 0.09 -0.10 0.00 0.00 175.22 174.86 1xne n ASN 44 N 5.92 -5.12 -3.48 1.36 3.02 0.43 -2.72 115.26 114.67 1xne n ASN 44 Ca 0.03 0.13 -0.24 0.00 -0.03 0.00 0.00 54.58 54.48 1xne n ASN 44 Cb 0.48 -3.08 0.06 0.00 -0.61 0.00 0.00 39.78 36.63 1xne n ASN 44 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1xne n ASP 45 N -0.67 -5.83 0.00 6.41 -0.08 -1.23 -4.81 116.55 110.33 1xne n ASP 45 Ca -0.05 -0.87 0.00 0.00 -1.51 0.00 0.00 54.79 52.36 1xne n ASP 45 Cb 0.42 -4.26 0.00 0.00 2.34 0.00 0.00 41.12 39.62 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 -3.74 0.00 -4.38 -2.67 7.94 -1.11 -5.08 117.00 107.95 1xne n LEU 46 Ca -0.09 0.00 -0.40 0.00 -1.11 0.00 0.00 56.01 54.41 1xne n LEU 46 Cb 0.61 0.25 -0.11 0.00 0.53 0.00 0.00 43.42 44.70 1xne n LEU 46 CO 0.63 -0.25 -0.16 -0.63 -1.11 0.00 0.00 177.39 175.87 1xne s ILE 47 N -1.57 4.60 0.58 1.96 1.01 -1.10 -4.97 121.20 121.70 1xne s ILE 47 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 1xne s ILE 47 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1xne s ILE 47 CO 0.00 -0.21 1.05 -2.16 0.00 0.00 0.00 174.94 173.62 1xne s PRO 48 N 1.56 3.42 -0.08 2.79 0.04 -1.26 -0.77 135.00 140.70 1xne s PRO 48 Ca 0.02 1.18 -0.16 0.00 0.04 0.00 0.00 61.00 62.09 1xne s PRO 48 Cb -0.19 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1xne s PRO 48 CO 0.07 -0.73 0.38 0.00 0.04 0.00 0.00 177.00 176.76 1xne s ALA 49 N -2.45 -0.96 -0.08 8.56 0.00 0.19 -1.69 121.76 125.33 1xne s ALA 49 Ca 0.63 0.79 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1xne s ALA 49 Cb -0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.65 1xne s ALA 49 CO 0.35 -0.23 -0.06 -2.00 0.00 0.00 0.00 175.76 173.83 1xne s GLU 50 N -0.57 2.86 0.02 0.00 2.12 0.18 0.16 118.70 123.48 1xne s GLU 50 Ca -0.07 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.44 1xne s GLU 50 Cb -0.04 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.65 1xne s GLU 50 CO 0.03 0.64 1.31 0.08 -0.54 0.00 0.00 175.26 176.77 1xne s VAL 51 N -0.72 3.84 -0.22 3.70 1.01 -0.16 0.16 120.40 128.00 1xne s VAL 51 Ca 0.11 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.25 1xne s VAL 51 Cb -0.11 -3.81 -0.18 0.00 0.00 0.00 0.00 36.38 32.28 1xne s VAL 51 CO 0.02 0.04 -0.03 0.52 0.00 0.00 0.00 175.10 175.65 1xne n VAL 52 N 4.34 1.58 -3.56 2.92 0.31 0.34 -3.38 118.33 120.88 1xne n VAL 52 Ca 0.11 -0.40 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 1xne n VAL 52 Cb 0.45 -1.78 -0.05 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.49 0.71 -0.07 5.55 2.56 -0.76 -4.86 118.70 119.34 1xne s GLU 53 Ca -0.32 0.12 0.04 0.00 0.00 0.00 0.00 54.97 54.81 1xne s GLU 53 Cb 0.09 0.33 -0.02 0.00 2.00 0.00 0.00 34.13 36.54 1xne s GLU 53 CO 0.60 -0.23 -0.18 0.54 -0.56 0.00 0.00 175.26 175.43 1xne s VAL 54 N -1.33 2.67 -0.02 3.70 0.11 -1.26 0.79 120.40 125.06 1xne s VAL 54 Ca -0.03 -0.84 0.04 0.00 -2.93 0.00 0.00 61.98 58.22 1xne s VAL 54 Cb -0.00 -2.04 -0.01 0.00 -1.53 0.00 0.00 36.38 32.80 1xne s VAL 54 CO 0.02 0.57 -0.13 -0.54 -3.33 0.00 0.00 175.10 171.69 1xne s LYS 55 N -0.30 1.19 0.00 1.54 1.02 0.43 -4.99 119.74 118.64 1xne s LYS 55 Ca 0.01 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 55.59 1xne s LYS 55 Cb -0.13 -1.12 -0.02 0.00 -0.52 0.00 0.00 37.83 36.05 1xne s LYS 55 CO 0.03 0.25 -0.18 0.21 -0.92 0.00 0.00 175.35 174.74 1xne s LYS 56 N -0.15 1.36 0.21 1.68 2.20 -1.26 0.60 119.74 124.38 1xne s LYS 56 Ca 0.02 -0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 54.78 1xne s LYS 56 Cb -0.07 -1.35 0.02 0.00 -1.51 0.00 0.00 37.83 34.92 1xne s LYS 56 CO 0.00 0.36 0.50 0.71 -0.36 0.00 0.00 175.35 176.57 1xne s TYR 57 N -0.52 0.04 -0.16 4.03 2.02 -0.38 -4.97 117.35 117.42 1xne s TYR 57 Ca 0.06 -0.40 -0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1xne s TYR 57 Cb -0.07 0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.77 1xne s TYR 57 CO -0.00 -0.94 -0.29 0.39 -1.57 0.00 0.00 175.55 173.14 1xne n GLU 58 N -0.35 0.47 -1.20 -0.62 1.02 -1.26 -4.22 120.64 114.48 1xne n GLU 58 Ca -0.07 0.26 -0.31 0.00 -0.02 0.00 0.00 57.16 57.02 1xne n GLU 58 Cb 0.62 -1.41 0.10 0.00 -0.02 0.00 0.00 31.44 30.73 1xne n GLU 58 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1xne s THR 59 N -2.62 3.12 -0.22 2.62 2.01 -1.26 -4.61 115.64 114.68 1xne s THR 59 Ca -0.24 0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.96 1xne s THR 59 Cb 0.03 -2.79 -0.18 0.00 0.01 0.00 0.00 72.50 69.57 1xne s THR 59 CO 0.35 -0.47 0.09 0.33 -0.69 0.00 0.00 174.62 174.24 1xne n PHE 60 N -3.57 0.80 -0.26 4.92 -0.00 -1.26 -4.10 117.46 113.98 1xne n PHE 60 Ca 0.10 0.32 0.17 0.00 -0.00 0.00 0.00 57.45 58.03 1xne n PHE 60 Cb 0.53 -1.08 0.46 0.00 -0.00 0.00 0.00 39.48 39.39 1xne n PHE 60 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 1xne h ARG 61 N -0.86 0.49 -0.35 -4.13 -0.00 -1.97 0.35 114.38 107.90 1xne h ARG 61 Ca -0.44 -0.03 0.04 0.00 -0.00 0.00 0.00 59.98 59.55 1xne h ARG 61 Cb 1.46 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 31.29 1xne h ARG 61 CO -0.23 0.32 0.13 0.37 -0.00 0.00 0.00 179.97 180.57 1xne h GLN 62 N 0.50 0.28 -0.77 0.08 -0.00 -1.98 0.37 115.11 113.59 1xne h GLN 62 Ca 0.48 -0.02 0.10 0.00 -0.00 0.00 0.00 58.65 59.21 1xne h GLN 62 Cb 1.04 -0.06 -0.05 0.00 0.00 0.00 0.00 27.48 28.41 1xne h GLN 62 CO -0.21 0.18 0.50 0.28 0.00 0.00 0.00 178.83 179.59 1xne h VAL 63 N 0.28 0.93 0.00 2.39 2.07 -1.08 0.57 116.25 121.40 1xne h VAL 63 Ca 0.16 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 1xne h VAL 63 Cb 0.12 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1xne h VAL 63 CO -0.16 0.12 -0.35 -0.07 0.02 0.00 0.00 177.57 177.13 1xne h LEU 64 N 0.67 0.00 -0.00 2.57 4.07 -0.81 0.49 115.31 122.29 1xne h LEU 64 Ca 0.36 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.16 1xne h LEU 64 Cb 0.49 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.25 1xne h LEU 64 CO -0.13 0.35 -0.61 0.03 -1.08 0.00 0.00 178.44 177.00 1xne h ARG 65 N 0.00 0.42 0.00 1.13 2.47 0.39 -3.38 114.38 115.41 1xne h ARG 65 Ca -0.00 -0.44 -0.04 0.00 -1.26 0.00 0.00 59.98 58.23 1xne h ARG 65 Cb 1.13 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.57 1xne h ARG 65 CO 0.05 1.11 -0.29 0.93 0.56 0.00 0.00 179.97 182.32 1xne h GLU 66 N -0.09 0.00 -6.52 0.04 4.39 -0.35 -3.47 114.58 108.59 1xne h GLU 66 Ca -0.07 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.10 1xne h GLU 66 Cb 1.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 1xne h GLU 66 CO 0.12 0.56 -0.09 -1.21 -1.16 0.00 0.00 179.01 177.23 1xne s GLU 67 N -2.04 3.74 1.06 2.33 0.41 0.17 -5.08 118.70 119.28 1xne s GLU 67 Ca -0.14 0.21 -0.17 0.00 -0.41 0.00 0.00 54.97 54.46 1xne s GLU 67 Cb 0.00 -2.61 0.23 0.00 -1.78 0.00 0.00 34.13 29.97 1xne s GLU 67 CO 0.40 0.23 1.21 -1.25 -0.49 0.00 0.00 175.26 175.35 1xne s PRO 68 N -3.24 -0.11 -0.07 0.39 0.04 -1.26 -4.04 135.00 126.72 1xne s PRO 68 Ca 0.47 -0.18 0.03 0.00 0.04 0.00 0.00 61.00 61.36 1xne s PRO 68 Cb -0.11 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 1xne s PRO 68 CO 0.26 -2.95 -0.03 -0.89 0.04 0.00 0.00 177.00 173.43 1xne n ILE 69 N -4.20 0.45 -0.33 0.56 5.41 -1.26 -4.19 119.36 115.80 1xne n ILE 69 Ca 0.13 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.67 1xne n ILE 69 Cb 0.59 -0.81 0.14 0.00 -0.71 0.00 0.00 39.64 38.86 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 0.94 0.07 4.38 2.03 -1.95 0.35 116.42 122.23 1xne h ASP 70 Ca -0.18 0.01 -0.00 0.00 -0.73 0.00 0.00 57.03 56.12 1xne h ASP 70 Cb 1.33 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1xne h ASP 70 CO -0.01 0.62 -0.03 0.11 -1.03 0.00 0.00 179.24 178.89 1xne h LYS 71 N 1.08 -0.09 -0.42 4.15 1.57 -1.86 -3.17 116.57 117.83 1xne h LYS 71 Ca 0.38 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.25 1xne h LYS 71 Cb 0.11 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 1xne h LYS 71 CO -0.15 0.33 -0.12 0.82 -0.57 0.00 0.00 179.45 179.76 1xne h ILE 72 N -0.53 0.55 -3.51 1.86 2.04 -1.60 -3.37 117.51 112.94 1xne h ILE 72 Ca -0.01 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.59 1xne h ILE 72 Cb 0.46 0.55 -0.31 0.00 -0.74 0.00 0.00 36.82 36.78 1xne h ILE 72 CO 0.02 0.00 -0.69 -0.36 0.00 0.00 0.00 178.15 177.12 1xne s PHE 73 N -6.21 -0.03 -0.17 1.37 0.08 0.12 -4.91 117.98 108.23 1xne s PHE 73 Ca -0.14 0.19 0.28 0.00 0.12 0.00 0.00 56.93 57.38 1xne s PHE 73 Cb 0.15 -0.12 0.87 0.00 -0.57 0.00 0.00 43.02 43.35 1xne s PHE 73 CO 0.71 -0.08 1.80 -1.00 -0.10 0.00 0.00 175.22 176.55 1xne h PRO 74 N 6.84 0.00 -0.00 0.24 0.13 -1.80 -2.92 132.00 134.49 1xne h PRO 74 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1xne h PRO 74 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xne h PRO 74 CO 0.47 0.00 0.01 -0.44 -0.23 0.00 0.00 178.00 177.81 1xne h ASP 75 N 0.00 0.00 -5.45 1.44 3.32 -1.91 -3.46 116.42 110.35 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 0.75 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.39 1xne h ASP 75 CO 0.00 0.00 -0.41 0.29 -1.72 0.00 0.00 179.24 177.40 1xne n LYS 76 N -3.55 -1.72 -1.55 3.56 5.02 -1.10 -4.99 118.16 113.84 1xne n LYS 76 Ca -0.03 1.19 -0.29 0.00 -2.02 0.00 0.00 58.31 57.16 1xne n LYS 76 Cb 0.09 -5.70 0.12 0.00 -0.02 0.00 0.00 35.03 29.51 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 -3.70 1.53 0.25 1.97 0.04 -1.26 -5.06 135.00 128.77 1xne s PRO 77 Ca 0.21 0.43 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 1xne s PRO 77 Cb -0.03 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1xne s PRO 77 CO 0.75 -1.96 0.49 -1.12 0.04 0.00 0.00 177.00 175.21 1xne s SER 78 N -3.99 6.42 0.33 6.66 0.01 -1.26 -4.86 113.70 117.02 1xne s SER 78 Ca 0.63 0.60 0.12 0.00 1.31 0.00 0.00 55.95 58.60 1xne s SER 78 Cb -0.15 -2.09 0.99 0.00 0.21 0.00 0.00 66.02 64.98 1xne s SER 78 CO 0.54 -0.14 1.70 0.15 0.41 0.00 0.00 173.24 175.90 1xne h PHE 79 N 1.81 0.96 -0.03 2.43 3.57 -1.99 0.61 116.94 124.31 1xne h PHE 79 Ca -0.48 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.95 1xne h PHE 79 Cb 1.19 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.67 1xne h PHE 79 CO 0.57 -0.04 -0.41 1.49 -2.23 0.00 0.00 178.31 177.68 1xne h GLU 80 N 0.46 0.33 -0.28 1.11 4.22 -2.00 -2.90 114.58 115.52 1xne h GLU 80 Ca 0.69 -0.31 0.05 0.00 0.08 0.00 0.00 59.36 59.86 1xne h GLU 80 Cb 1.45 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 1xne h GLU 80 CO -0.53 0.99 -0.02 -0.22 -2.18 0.00 0.00 179.01 177.05 1xne h LYS 81 N -0.21 0.06 -0.96 1.92 3.64 -1.12 0.14 116.57 120.04 1xne h LYS 81 Ca -0.04 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.48 1xne h LYS 81 Cb 1.11 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.83 1xne h LYS 81 CO 0.08 0.04 0.61 0.00 -2.27 0.00 0.00 179.45 177.91 1xne h ALA 82 N 1.25 1.68 -0.01 5.00 0.00 0.01 1.22 119.26 128.40 1xne h ALA 82 Ca 0.13 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1xne h ALA 82 Cb 0.18 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xne h ALA 82 CO -0.24 0.06 -0.11 1.25 0.00 0.00 0.00 179.25 180.21 1xne h LEU 83 N 0.84 -0.31 0.33 0.00 5.85 -0.78 0.19 115.31 121.43 1xne h LEU 83 Ca 0.49 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.24 1xne h LEU 83 Cb 0.65 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1xne h LEU 83 CO -0.26 -0.15 -0.16 0.50 -0.34 0.00 0.00 178.44 178.03 1xne h LYS 84 N -0.18 -0.42 -0.96 1.25 3.64 -0.27 0.51 116.57 120.14 1xne h LYS 84 Ca 0.04 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.74 1xne h LYS 84 Cb 0.23 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 31.98 1xne h LYS 84 CO -0.11 -0.09 0.19 0.00 -2.27 0.00 0.00 179.45 177.17 1xne h ARG 85 N -0.89 0.06 0.33 1.90 2.47 0.15 0.75 114.38 119.15 1xne h ARG 85 Ca -0.04 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.66 1xne h ARG 85 Cb 0.52 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.83 1xne h ARG 85 CO 0.07 0.04 -0.16 0.74 0.56 0.00 0.00 179.97 181.23 1xne h PHE 86 N 0.07 -0.41 -0.72 3.04 0.04 -0.57 -3.30 116.94 115.09 1xne h PHE 86 Ca 0.64 -0.01 0.14 0.00 2.80 0.00 0.00 57.97 61.54 1xne h PHE 86 Cb 1.40 0.14 -0.14 0.00 2.20 0.00 0.00 35.95 39.55 1xne h PHE 86 CO -0.33 -0.16 -0.23 0.45 -0.60 0.00 0.00 178.31 177.44 1xne h HIS 87 N -1.06 -0.56 -2.83 -0.55 3.86 0.68 -3.34 115.15 111.34 1xne h HIS 87 Ca -0.05 0.07 -0.57 0.00 -1.16 0.00 0.00 60.37 58.66 1xne h HIS 87 Cb 0.43 0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 1xne h HIS 87 CO 0.02 -0.34 1.22 1.21 0.86 0.00 0.00 177.93 180.90 1xne s ASN 88 N -5.23 6.03 0.00 2.45 3.84 0.24 -4.16 114.94 118.12 1xne s ASN 88 Ca -0.14 1.20 0.00 0.00 0.21 0.00 0.00 52.86 54.13 1xne s ASN 88 Cb 0.20 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 1xne s ASN 88 CO 0.73 -1.61 0.00 0.80 -2.79 0.00 0.00 177.10 174.23 1xne n MET 89 N 8.31 0.00 -4.44 0.43 1.56 -1.26 -4.81 117.12 116.91 1xne n MET 89 Ca 0.21 0.00 -0.24 0.00 -0.27 0.00 0.00 57.70 57.40 1xne n MET 89 Cb 0.47 0.00 -0.09 0.00 2.15 0.00 0.00 33.22 35.74 1xne n MET 89 CO 0.00 0.00 0.00 0.71 -0.73 0.00 0.00 175.97 175.95 1xne s TYR 90 N -1.68 2.42 -0.01 1.12 2.02 -1.26 -5.09 117.35 114.88 1xne s TYR 90 Ca 0.00 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1xne s TYR 90 Cb 0.00 -1.20 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 1xne s TYR 90 CO 0.00 0.63 0.27 -1.00 -1.57 0.00 0.00 175.55 173.88 1xne h PRO 91 N 2.07 -0.03 -6.46 -1.71 0.13 -1.98 -3.46 132.00 120.56 1xne h PRO 91 Ca -0.42 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.17 1xne h PRO 91 Cb 1.25 0.01 0.21 0.00 0.13 0.00 0.00 31.00 32.61 1xne h PRO 91 CO 0.64 -0.02 -0.97 1.17 -0.23 0.00 0.00 178.00 178.58 1xne n LYS 92 N -2.30 -0.04 -1.92 0.86 4.81 -1.26 -4.51 118.16 113.80 1xne n LYS 92 Ca -0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1xne n LYS 92 Cb 0.01 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 33.54 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 -2.82 -3.32 0.00 5.64 -0.00 -1.26 -4.93 117.44 110.74 1xne n TRP 93 Ca 0.05 1.98 0.00 0.00 -0.00 0.00 0.00 57.50 59.53 1xne n TRP 93 Cb 0.53 -3.27 0.00 0.00 -0.00 0.00 0.00 31.31 28.57 1xne n TRP 93 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.69 178.86 1xne n LYS 94 N 1.26 0.00 -3.23 5.87 4.81 -1.26 -4.79 118.16 120.82 1xne n LYS 94 Ca 0.00 0.39 -0.01 0.00 -0.87 0.00 0.00 58.31 57.82 1xne n LYS 94 Cb 0.00 -1.26 -0.04 0.00 0.02 0.00 0.00 35.03 33.75 1xne n LYS 94 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1xne s GLU 95 N -2.04 0.49 0.02 1.64 -1.05 -1.26 -4.93 118.70 111.58 1xne s GLU 95 Ca 0.00 0.80 -0.29 0.00 -0.15 0.00 0.00 54.97 55.33 1xne s GLU 95 Cb 0.00 0.15 0.10 0.00 -0.44 0.00 0.00 34.13 33.94 1xne s GLU 95 CO 0.00 -0.66 1.14 -0.47 0.95 0.00 0.00 175.26 176.22 1xne s TYR 96 N 2.74 -0.10 0.63 4.83 5.04 -1.26 -5.15 117.35 124.08 1xne s TYR 96 Ca 0.17 -0.06 -0.18 0.00 -2.44 0.00 0.00 57.07 54.56 1xne s TYR 96 Cb -0.15 0.57 -0.02 0.00 0.35 0.00 0.00 41.96 42.72 1xne s TYR 96 CO -0.20 -0.47 1.25 1.03 -1.34 0.00 0.00 175.55 175.82 1xne s ARG 97 N -2.77 2.68 0.00 4.97 3.00 -1.26 -4.87 118.95 120.70 1xne s ARG 97 Ca 0.12 1.92 0.00 0.00 0.00 0.00 0.00 55.73 57.77 1xne s ARG 97 Cb 0.02 -1.88 0.00 0.00 0.00 0.00 0.00 34.95 33.09 1xne s ARG 97 CO -0.02 -1.46 0.00 0.98 0.00 0.00 0.00 175.30 174.80 1xne n TYR 98 N -1.87 -2.21 -4.99 -0.53 4.19 -1.26 -5.11 117.16 105.38 1xne n TYR 98 Ca 0.15 0.00 -0.32 0.00 3.31 0.00 0.00 57.90 61.04 1xne n TYR 98 Cb 0.49 0.45 -0.17 0.00 0.49 0.00 0.00 39.34 40.61 1xne n TYR 98 CO 0.00 0.00 0.00 0.20 0.91 0.00 0.00 176.86 177.97 1xne s GLY 99 N -1.99 1.31 -0.47 2.98 0.00 -1.26 -4.83 107.32 103.05 1xne s GLY 99 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.80 1xne s GLY 99 CO 0.00 -0.19 0.72 -0.62 0.00 0.00 0.00 173.10 173.01 1xne n VAL 100 N 3.73 -0.26 -4.02 1.40 0.31 -1.26 -4.59 118.33 113.64 1xne n VAL 100 Ca -0.19 -2.09 -0.31 0.00 -0.01 0.00 0.00 64.34 61.74 1xne n VAL 100 Cb 0.52 0.37 -0.16 0.00 -0.91 0.00 0.00 33.84 33.66 1xne n VAL 100 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1xne s LEU 101 N -0.37 2.11 -0.27 7.52 1.98 -1.26 -1.25 118.68 127.15 1xne s LEU 101 Ca 0.32 -0.75 -0.13 0.00 -2.89 0.00 0.00 54.13 50.68 1xne s LEU 101 Cb 0.15 -1.25 -0.04 0.00 0.66 0.00 0.00 46.19 45.71 1xne s LEU 101 CO -0.17 -0.10 0.27 0.00 -1.89 0.00 0.00 176.35 174.45 1xne s ALA 102 N 1.41 3.55 -0.19 5.97 0.00 0.20 -3.96 121.76 128.74 1xne s ALA 102 Ca 0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.05 1xne s ALA 102 Cb -0.15 -2.56 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1xne s ALA 102 CO -0.09 -0.53 -0.16 0.42 0.00 0.00 0.00 175.76 175.39 1xne s ILE 103 N 1.77 2.36 -0.31 0.00 1.01 -0.54 0.16 121.20 125.65 1xne s ILE 103 Ca 0.11 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.78 1xne s ILE 103 Cb -0.16 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1xne s ILE 103 CO 0.10 0.51 0.27 -0.54 0.00 0.00 0.00 174.94 175.27 1xne s LYS 104 N 1.33 3.77 0.05 2.79 1.02 0.24 0.01 119.74 128.94 1xne s LYS 104 Ca 0.05 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.72 1xne s LYS 104 Cb -0.13 -3.73 -0.02 0.00 -0.52 0.00 0.00 37.83 33.43 1xne s LYS 104 CO -0.11 -0.33 -0.12 -0.59 -0.92 0.00 0.00 175.35 173.28 1xne s PHE 105 N 1.85 1.05 -0.17 3.18 -0.12 -0.92 0.13 117.98 122.98 1xne s PHE 105 Ca 0.09 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.55 1xne s PHE 105 Cb -0.16 -0.61 0.01 0.00 -0.63 0.00 0.00 43.02 41.63 1xne s PHE 105 CO 0.11 0.01 -0.18 1.03 -0.05 0.00 0.00 175.22 176.14 1xne s ARG 106 N -1.47 3.09 0.24 1.99 0.52 0.43 -4.68 118.95 119.06 1xne s ARG 106 Ca -0.03 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 1xne s ARG 106 Cb -0.09 -2.58 -0.10 0.00 0.52 0.00 0.00 34.95 32.70 1xne s ARG 106 CO 0.01 -0.10 1.46 0.54 0.02 0.00 0.00 175.30 177.24 1xne s VAL 107 N 1.05 2.64 0.27 3.52 0.11 -1.26 0.50 120.40 127.23 1xne s VAL 107 Ca -0.01 0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 59.56 1xne s VAL 107 Cb -0.14 -3.34 -0.04 0.00 -1.53 0.00 0.00 36.38 31.33 1xne s VAL 107 CO -0.06 0.08 0.47 -0.76 -3.33 0.00 0.00 175.10 171.50 1xne s LEU 108 N -0.19 4.13 0.00 2.54 1.43 -0.68 -4.81 118.68 121.10 1xne s LEU 108 Ca 0.61 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1xne s LEU 108 Cb -0.42 -3.25 0.00 0.00 0.03 0.00 0.00 46.19 42.55 1xne s LEU 108 CO 0.42 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.45 1xne n GLY 109 N -1.19 1.00 3.02 -3.19 0.00 -1.26 -4.67 105.19 98.90 1xne n GLY 109 Ca -0.05 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1xne n GLY 109 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xne n ARG 110 N 0.00 0.00 -0.79 1.61 1.85 -1.26 -4.82 116.66 113.25 1xne n ARG 110 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 1xne n ARG 110 Cb 0.00 -0.95 0.12 0.00 -1.05 0.00 0.00 32.46 30.58 1xne n ARG 110 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1xne n ASP 111 N 2.70 -2.54 -3.20 2.89 2.03 -1.26 -4.94 116.55 112.22 1xne n ASP 111 Ca 0.04 0.21 -0.26 0.00 0.52 0.00 0.00 54.79 55.30 1xne n ASP 111 Cb 0.48 -1.10 0.25 0.00 -0.72 0.00 0.00 41.12 40.03 1xne n ASP 111 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xne n LYS 112 N -1.29 -4.43 0.00 -0.67 2.85 -1.26 -5.08 118.16 108.28 1xne n LYS 112 Ca 0.04 -1.28 0.00 0.00 -1.05 0.00 0.00 58.31 56.03 1xne n LYS 112 Cb 0.56 -1.63 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44