#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 2.93 -0.12 2.12 1.02 -1.26 -4.89 119.74 119.54 1xne s LYS 2 Ca 0.00 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.01 1xne s LYS 2 Cb 0.00 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1xne s LYS 2 CO 0.00 0.42 -0.22 0.08 -0.92 0.00 0.00 175.35 174.71 1xne s VAL 3 N -2.05 2.22 -0.34 3.17 1.01 -1.25 0.19 120.40 123.35 1xne s VAL 3 Ca 0.32 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1xne s VAL 3 Cb -0.08 -1.88 0.09 0.00 0.00 0.00 0.00 36.38 34.51 1xne s VAL 3 CO 0.25 0.55 0.05 -0.31 0.00 0.00 0.00 175.10 175.64 1xne s TYR 4 N 0.50 3.61 -0.61 5.22 1.51 0.86 -4.96 117.35 123.48 1xne s TYR 4 Ca -0.14 -2.68 -0.28 0.00 -1.01 0.00 0.00 57.07 52.96 1xne s TYR 4 Cb -0.17 -2.77 0.02 0.00 -0.11 0.00 0.00 41.96 38.93 1xne s TYR 4 CO 0.05 -0.93 1.31 1.03 -1.11 0.00 0.00 175.55 175.91 1xne s ARG 5 N 1.01 3.34 -0.23 -0.62 0.52 -1.26 -0.06 118.95 121.65 1xne s ARG 5 Ca 0.06 0.23 -0.07 0.00 -0.52 0.00 0.00 55.73 55.43 1xne s ARG 5 Cb -0.20 -4.10 -0.03 0.00 0.52 0.00 0.00 34.95 31.14 1xne s ARG 5 CO -0.06 -1.91 0.04 -0.51 0.02 0.00 0.00 175.30 172.88 1xne s LEU 6 N 5.66 3.40 -0.31 2.53 1.43 0.27 -4.94 118.68 126.72 1xne s LEU 6 Ca 0.45 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.12 1xne s LEU 6 Cb -0.09 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1xne s LEU 6 CO 0.23 0.01 0.85 -0.31 0.23 0.00 0.00 176.35 177.36 1xne s TYR 7 N 1.32 3.19 0.47 0.29 2.02 -1.26 0.96 117.35 124.33 1xne s TYR 7 Ca 0.05 0.88 0.04 0.00 -0.37 0.00 0.00 57.07 57.67 1xne s TYR 7 Cb -0.15 -3.32 -0.04 0.00 -0.40 0.00 0.00 41.96 38.06 1xne s TYR 7 CO 0.03 -0.61 0.02 -0.51 -1.57 0.00 0.00 175.55 172.90 1xne s LEU 8 N 3.10 2.57 0.21 -1.29 1.02 -1.26 -4.85 118.68 118.18 1xne s LEU 8 Ca 0.35 -1.51 -0.08 0.00 0.02 0.00 0.00 54.13 52.90 1xne s LEU 8 Cb -0.14 -0.83 -0.07 0.00 0.02 0.00 0.00 46.19 45.18 1xne s LEU 8 CO 0.13 -0.68 0.51 -0.75 0.02 0.00 0.00 176.35 175.58 1xne s LYS 9 N -3.82 3.75 0.47 1.70 2.20 -1.26 -4.73 119.74 118.05 1xne s LYS 9 Ca 0.19 0.18 0.21 0.00 -0.36 0.00 0.00 55.97 56.19 1xne s LYS 9 Cb 0.05 -2.69 1.22 0.00 -1.51 0.00 0.00 37.83 34.90 1xne s LYS 9 CO 0.10 0.35 1.93 0.22 -0.36 0.00 0.00 175.35 177.59 1xne h ASP 10 N 2.57 0.22 0.40 1.43 1.82 -2.01 1.53 116.42 122.38 1xne h ASP 10 Ca -0.47 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.17 1xne h ASP 10 Cb 1.17 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.15 1xne h ASP 10 CO 0.70 0.11 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.92 1xne h GLU 11 N 0.23 -0.51 -0.10 0.28 4.39 -1.99 0.59 114.58 117.47 1xne h GLU 11 Ca 0.35 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.98 1xne h GLU 11 Cb 1.04 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 1xne h GLU 11 CO -0.07 -0.26 -0.33 1.88 -1.16 0.00 0.00 179.01 179.06 1xne h TYR 12 N -0.69 0.52 -0.81 4.33 0.05 -1.58 -3.19 116.97 115.60 1xne h TYR 12 Ca -0.05 -0.21 0.13 0.00 0.05 0.00 0.00 58.73 58.64 1xne h TYR 12 Cb 0.49 -0.09 -0.09 0.00 1.01 0.00 0.00 36.73 38.06 1xne h TYR 12 CO -0.01 0.94 0.41 1.25 -1.05 0.00 0.00 178.16 179.70 1xne h LEU 13 N -0.05 0.50 -0.73 3.88 5.85 0.21 -0.39 115.31 124.58 1xne h LEU 13 Ca -0.01 0.08 0.16 0.00 0.84 0.00 0.00 57.88 58.95 1xne h LEU 13 Cb 0.96 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.86 1xne h LEU 13 CO 0.07 0.23 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.02 1xne h GLU 14 N 0.62 0.06 -0.87 1.25 5.08 -0.86 0.45 114.58 120.32 1xne h GLU 14 Ca 0.43 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.85 1xne h GLU 14 Cb 0.56 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1xne h GLU 14 CO -0.34 0.04 0.54 0.52 -1.00 0.00 0.00 179.01 178.78 1xne h MET 15 N 0.06 0.95 -0.54 2.33 2.86 -1.14 0.32 114.93 119.78 1xne h MET 15 Ca 0.38 -0.06 -0.06 0.00 -2.06 0.00 0.00 59.70 57.91 1xne h MET 15 Cb 0.64 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 1xne h MET 15 CO -0.68 0.63 0.10 0.28 1.06 0.00 0.00 176.91 178.30 1xne h VAL 16 N 0.98 1.23 -0.66 -2.22 2.07 -0.04 0.18 116.25 117.80 1xne h VAL 16 Ca 0.38 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1xne h VAL 16 Cb 0.19 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1xne h VAL 16 CO -0.18 0.32 0.14 0.11 0.02 0.00 0.00 177.57 177.98 1xne h LYS 17 N 0.81 1.06 -0.19 1.57 1.79 0.79 -2.53 116.57 119.88 1xne h LYS 17 Ca 0.17 -0.27 -0.13 0.00 -2.18 0.00 0.00 60.65 58.24 1xne h LYS 17 Cb 0.34 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 1xne h LYS 17 CO 0.00 0.96 -0.44 0.66 -1.08 0.00 0.00 179.45 179.55 1xne h SER 18 N 0.99 0.50 0.00 0.86 4.64 -0.40 -3.47 113.55 116.66 1xne h SER 18 Ca 0.20 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1xne h SER 18 Cb 0.39 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1xne h SER 18 CO 0.01 0.88 0.00 0.61 -0.87 0.00 0.00 176.83 177.45 1xne n GLY 19 N 0.01 1.42 0.40 -0.77 0.00 0.56 -4.95 105.19 101.87 1xne n GLY 19 Ca -0.02 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.19 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 1.44 0.31 -6.22 1.61 1.57 -1.58 -3.35 116.57 110.35 1xne h LYS 20 Ca 0.00 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.17 1xne h LYS 20 Cb 0.00 -0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.14 1xne h LYS 20 CO 0.00 0.21 0.63 0.21 -0.57 0.00 0.00 179.45 179.93 1xne s LYS 21 N -5.33 3.54 0.00 3.15 2.20 -1.13 -4.70 119.74 117.48 1xne s LYS 21 Ca -0.07 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 1xne s LYS 21 Cb 0.22 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.60 1xne s LYS 21 CO 0.77 -1.27 0.00 0.54 -0.36 0.00 0.00 175.35 175.03 1xne n ARG 22 N 7.30 0.00 -3.84 4.03 3.00 -1.26 -4.75 116.66 121.14 1xne n ARG 22 Ca 0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.55 1xne n ARG 22 Cb 0.49 -0.71 -0.13 0.00 0.00 0.00 0.00 32.46 32.10 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 -1.84 3.71 -0.39 0.55 1.09 -1.26 -1.76 121.20 121.30 1xne s ILE 23 Ca 0.00 -0.49 -0.14 0.00 -1.10 0.00 0.00 60.65 58.92 1xne s ILE 23 Cb 0.00 -2.77 0.01 0.00 -1.06 0.00 0.00 42.46 38.64 1xne s ILE 23 CO 0.00 0.31 0.27 -0.70 -0.10 0.00 0.00 174.94 174.71 1xne s GLU 24 N 1.51 3.06 -0.19 2.79 2.56 0.14 -4.28 118.70 124.29 1xne s GLU 24 Ca 0.05 -0.95 -0.12 0.00 0.00 0.00 0.00 54.97 53.95 1xne s GLU 24 Cb -0.15 -3.89 -0.05 0.00 2.00 0.00 0.00 34.13 32.04 1xne s GLU 24 CO -0.00 -0.67 0.21 0.54 -0.56 0.00 0.00 175.26 174.77 1xne s VAL 25 N 1.66 5.36 -0.24 3.70 0.11 -1.26 -1.99 120.40 127.74 1xne s VAL 25 Ca 0.05 0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 59.16 1xne s VAL 25 Cb -0.19 -3.55 0.16 0.00 -1.53 0.00 0.00 36.38 31.28 1xne s VAL 25 CO 0.09 0.41 1.20 -0.60 -3.33 0.00 0.00 175.10 172.87 1xne s ARG 26 N 0.49 0.31 -0.41 1.54 3.52 -1.22 -5.04 118.95 118.13 1xne s ARG 26 Ca 0.12 0.12 -0.46 0.00 -0.13 0.00 0.00 55.73 55.39 1xne s ARG 26 Cb -0.12 0.15 -0.20 0.00 -1.56 0.00 0.00 34.95 33.22 1xne s ARG 26 CO 0.01 -0.09 1.53 1.33 -0.81 0.00 0.00 175.30 177.28 1xne n VAL 27 N 0.88 0.02 0.00 7.11 0.24 -1.26 -3.88 118.33 121.43 1xne n VAL 27 Ca -0.06 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1xne n VAL 27 Cb 0.58 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 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 3.72 0.00 -1.32 2.33 0.00 -1.26 -4.87 120.51 119.11 1xne n ALA 28 Ca 0.29 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.88 1xne n ALA 28 Cb -0.03 0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.54 -3.30 -1.55 0.00 9.36 -1.26 -3.40 117.16 116.47 1xne n TYR 29 Ca 0.00 1.83 -0.30 0.00 3.32 0.00 0.00 57.90 62.75 1xne n TYR 29 Cb 0.00 -3.01 0.09 0.00 -0.63 0.00 0.00 39.34 35.80 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 -4.46 2.04 0.00 2.98 0.04 -1.26 -0.98 135.00 133.37 1xne s PRO 30 Ca 0.00 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.67 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 -1.65 0.00 0.94 0.04 0.00 0.00 177.00 176.33 1xne n GLN 31 N -3.45 0.00 0.13 4.56 0.00 -1.26 -4.57 117.38 112.79 1xne n GLN 31 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.07 1xne n GLN 31 Cb 0.56 -1.24 0.00 0.00 0.00 0.00 0.00 30.24 29.56 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 0.00 -0.10 -0.28 1.69 4.77 -1.24 -4.81 117.00 117.03 1xne n LEU 32 Ca 0.00 0.44 0.33 0.00 -0.03 0.00 0.00 56.01 56.76 1xne n LEU 32 Cb 0.00 0.35 0.74 0.00 -2.33 0.00 0.00 43.42 42.18 1xne n LEU 32 CO 0.00 -0.77 1.31 0.07 -1.33 0.00 0.00 177.39 176.67 1xne h LYS 33 N 0.00 0.00 -0.53 3.23 2.10 -1.07 1.44 116.57 121.74 1xne h LYS 33 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.68 1xne h LYS 33 Cb 0.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.31 1xne h LYS 33 CO 0.00 0.00 0.35 0.22 -2.00 0.00 0.00 179.45 178.02 1xne h ASP 34 N 0.00 0.52 -2.04 7.07 1.82 -1.88 -3.43 116.42 118.49 1xne h ASP 34 Ca 0.52 -0.01 -0.58 0.00 -0.39 0.00 0.00 57.03 56.58 1xne h ASP 34 Cb 2.15 -0.12 0.21 0.00 0.68 0.00 0.00 39.33 42.24 1xne h ASP 34 CO -0.01 0.36 -1.46 0.00 -1.61 0.00 0.00 179.24 176.52 1xne n ILE 35 N -4.47 0.04 -3.93 2.25 0.13 0.49 -4.99 119.36 108.89 1xne n ILE 35 Ca 0.06 -0.50 -0.10 0.00 -1.10 0.00 0.00 62.75 61.12 1xne n ILE 35 Cb 0.14 -0.02 -0.02 0.00 -0.84 0.00 0.00 39.64 38.89 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 -1.52 1.86 0.35 9.51 -2.85 -1.26 -4.98 119.74 120.84 1xne s LYS 36 Ca 0.49 -1.33 -0.28 0.00 -1.00 0.00 0.00 55.97 53.85 1xne s LYS 36 Cb -0.35 0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 35.87 1xne s LYS 36 CO 0.74 -0.82 1.30 0.50 0.10 0.00 0.00 175.35 177.17 1xne s ARG 37 N -3.36 4.27 0.00 1.78 3.00 -1.26 -2.71 118.95 120.66 1xne s ARG 37 Ca 0.19 2.19 0.00 0.00 -1.00 0.00 0.00 55.73 57.11 1xne s ARG 37 Cb -0.03 -2.99 0.00 0.00 0.00 0.00 0.00 34.95 31.93 1xne s ARG 37 CO 0.11 -0.25 0.00 0.41 0.00 0.00 0.00 175.30 175.57 1xne n GLY 38 N 0.76 3.06 2.18 8.12 0.00 -1.16 -5.01 105.19 113.14 1xne n GLY 38 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.28 -3.97 1.61 8.00 -1.10 -4.59 116.55 115.21 1xne n ASP 39 Ca 0.00 -0.99 -0.13 0.00 0.71 0.00 0.00 54.79 54.38 1xne n ASP 39 Cb 0.00 -0.61 -0.13 0.00 -0.02 0.00 0.00 41.12 40.36 1xne n ASP 39 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1xne s LYS 40 N -4.57 0.35 -0.11 -1.24 2.20 0.50 -2.06 119.74 114.81 1xne s LYS 40 Ca 0.44 -0.38 0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1xne s LYS 40 Cb -0.04 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.09 1xne s LYS 40 CO 0.33 0.05 -0.16 0.42 -0.36 0.00 0.00 175.35 175.62 1xne s ILE 41 N -0.67 1.56 -0.36 5.43 1.01 0.49 -0.09 121.20 128.55 1xne s ILE 41 Ca -0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 1xne s ILE 41 Cb -0.05 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 41.03 1xne s ILE 41 CO -0.00 0.45 0.20 -0.63 0.00 0.00 0.00 174.94 174.96 1xne s ILE 42 N 0.91 4.63 -0.14 2.92 -1.09 0.91 0.12 121.20 129.45 1xne s ILE 42 Ca -0.08 -0.75 -0.22 0.00 -2.23 0.00 0.00 60.65 57.37 1xne s ILE 42 Cb -0.15 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.16 1xne s ILE 42 CO -0.01 -0.17 0.66 -0.36 -1.23 0.00 0.00 174.94 173.83 1xne s PHE 43 N 1.57 3.47 -1.25 3.97 0.08 -0.08 0.95 117.98 126.70 1xne s PHE 43 Ca 0.03 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.15 1xne s PHE 43 Cb -0.19 -2.79 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 1xne s PHE 43 CO 0.07 -0.05 0.00 0.09 -0.10 0.00 0.00 175.22 175.23 1xne n ASN 44 N 4.45 -5.65 -3.65 1.36 4.13 0.27 -2.57 115.26 113.61 1xne n ASN 44 Ca -0.01 0.29 -0.28 0.00 1.68 0.00 0.00 54.58 56.26 1xne n ASN 44 Cb 0.50 -4.18 0.03 0.00 -1.54 0.00 0.00 39.78 34.59 1xne n ASN 44 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1xne n ASP 45 N -1.15 -5.50 0.00 6.41 8.00 -1.24 -4.76 116.55 118.30 1xne n ASP 45 Ca -0.12 -0.92 0.00 0.00 0.71 0.00 0.00 54.79 54.47 1xne n ASP 45 Cb 0.59 -3.26 0.00 0.00 -0.02 0.00 0.00 41.12 38.44 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1xne n LEU 46 N -3.72 0.00 -4.29 0.64 0.00 -1.07 -5.08 117.00 103.47 1xne n LEU 46 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 56.01 55.52 1xne n LEU 46 Cb 0.59 0.12 -0.12 0.00 0.00 0.00 0.00 43.42 44.01 1xne n LEU 46 CO 0.65 -0.12 -0.25 -0.63 0.00 0.00 0.00 177.39 177.04 1xne s ILE 47 N -1.34 3.86 0.67 1.96 1.01 -1.06 -4.99 121.20 121.32 1xne s ILE 47 Ca 0.00 -1.05 -0.12 0.00 0.00 0.00 0.00 60.65 59.48 1xne s ILE 47 Cb 0.00 -3.15 -0.00 0.00 0.01 0.00 0.00 42.46 39.32 1xne s ILE 47 CO 0.00 -0.14 1.06 -2.16 0.00 0.00 0.00 174.94 173.69 1xne s PRO 48 N 1.43 3.02 -0.06 2.79 0.04 -1.26 -0.90 135.00 140.05 1xne s PRO 48 Ca -0.01 0.99 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 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 0.03 -1.03 0.38 0.00 0.04 0.00 0.00 177.00 176.41 1xne s ALA 49 N -2.94 -0.95 -0.09 8.56 0.00 0.31 -2.34 121.76 124.31 1xne s ALA 49 Ca 0.59 0.70 -0.01 0.00 0.00 0.00 0.00 51.96 53.24 1xne s ALA 49 Cb -0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1xne s ALA 49 CO 0.52 -0.25 -0.04 -2.00 0.00 0.00 0.00 175.76 173.99 1xne s GLU 50 N -0.78 3.01 -0.21 0.00 2.12 -0.47 0.18 118.70 122.56 1xne s GLU 50 Ca -0.09 -0.50 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1xne s GLU 50 Cb -0.04 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.61 1xne s GLU 50 CO 0.03 0.59 1.46 0.08 -0.54 0.00 0.00 175.26 176.89 1xne s VAL 51 N -0.59 3.92 -0.12 3.70 1.01 -0.87 0.13 120.40 127.58 1xne s VAL 51 Ca 0.09 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.89 1xne s VAL 51 Cb -0.12 -3.86 -0.22 0.00 0.00 0.00 0.00 36.38 32.17 1xne s VAL 51 CO 0.02 -0.29 0.74 0.58 0.00 0.00 0.00 175.10 176.15 1xne h VAL 52 N 5.90 1.55 -1.74 2.92 2.07 0.31 -3.06 116.25 124.19 1xne h VAL 52 Ca -0.31 -2.06 0.02 0.00 0.82 0.00 0.00 66.70 65.18 1xne h VAL 52 Cb 1.13 2.87 -0.22 0.00 -1.52 0.00 0.00 31.29 33.55 1xne h VAL 52 CO 1.00 0.51 0.37 -0.70 0.02 0.00 0.00 177.57 178.77 1xne s GLU 53 N -2.38 0.72 -0.11 1.57 2.56 -0.82 -4.84 118.70 115.41 1xne s GLU 53 Ca -0.17 0.41 0.03 0.00 0.00 0.00 0.00 54.97 55.24 1xne s GLU 53 Cb -0.02 0.35 -0.00 0.00 2.00 0.00 0.00 34.13 36.45 1xne s GLU 53 CO 0.61 -0.18 -0.21 0.54 -0.56 0.00 0.00 175.26 175.46 1xne s VAL 54 N -0.58 2.32 -0.01 3.70 0.11 -1.26 -1.71 120.40 122.97 1xne s VAL 54 Ca -0.03 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.09 1xne s VAL 54 Cb -0.02 -1.91 0.00 0.00 -1.53 0.00 0.00 36.38 32.92 1xne s VAL 54 CO 0.02 0.55 0.02 -0.54 -3.33 0.00 0.00 175.10 171.82 1xne s LYS 55 N 0.34 0.02 0.04 1.54 3.01 -1.10 -4.99 119.74 118.61 1xne s LYS 55 Ca -0.17 0.05 0.04 0.00 -1.01 0.00 0.00 55.97 54.88 1xne s LYS 55 Cb -0.17 -0.01 -0.04 0.00 -1.01 0.00 0.00 37.83 36.60 1xne s LYS 55 CO 0.08 -0.02 -0.06 0.21 0.51 0.00 0.00 175.35 176.07 1xne s LYS 56 N 0.12 2.45 0.03 1.68 2.20 -1.26 -1.57 119.74 123.39 1xne s LYS 56 Ca -0.01 -0.81 -0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1xne s LYS 56 Cb -0.01 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.85 1xne s LYS 56 CO -0.00 0.57 0.06 0.66 -0.36 0.00 0.00 175.35 176.27 1xne n TYR 57 N 1.19 -0.84 -4.08 4.03 4.01 -0.37 -4.98 117.16 116.12 1xne n TYR 57 Ca -0.14 -0.19 -0.14 0.00 -0.16 0.00 0.00 57.90 57.27 1xne n TYR 57 Cb 0.52 0.07 -0.12 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.04 0.50 0.16 -0.72 -1.05 -1.26 -4.09 118.70 110.20 1xne s GLU 58 Ca 0.02 -0.61 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 1xne s GLU 58 Cb -0.00 -0.32 0.00 0.00 -0.44 0.00 0.00 34.13 33.37 1xne s GLU 58 CO 0.01 0.06 0.00 2.41 0.95 0.00 0.00 175.26 178.70 1xne n THR 59 N 1.84 -6.59 -0.32 1.83 -1.04 -1.26 -3.86 114.28 104.88 1xne n THR 59 Ca -0.20 1.77 0.25 0.00 -2.04 0.00 0.00 64.05 63.83 1xne n THR 59 Cb 0.56 -3.35 0.56 0.00 -1.82 0.00 0.00 70.33 66.27 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 2.15 0.52 -0.72 -1.42 -5.15 -1.97 0.66 116.94 111.01 1xne h PHE 60 Ca 0.00 0.02 0.09 0.00 -0.20 0.00 0.00 57.97 57.88 1xne h PHE 60 Cb 0.00 -0.15 -0.05 0.00 0.22 0.00 0.00 35.95 35.97 1xne h PHE 60 CO 0.00 0.04 0.47 0.07 -2.00 0.00 0.00 178.31 176.89 1xne h ARG 61 N 0.30 0.61 0.50 6.09 -0.00 -1.97 0.22 114.38 120.13 1xne h ARG 61 Ca 0.58 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 60.50 1xne h ARG 61 Cb 1.66 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.49 1xne h ARG 61 CO -0.24 0.41 -0.24 0.37 -0.00 0.00 0.00 179.97 180.27 1xne h GLN 62 N 0.63 -0.65 -0.24 0.08 5.75 0.23 0.68 115.11 121.60 1xne h GLN 62 Ca 0.33 0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.86 1xne h GLN 62 Cb 0.44 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1xne h GLN 62 CO -0.11 -0.38 0.09 0.28 -2.65 0.00 0.00 178.83 176.05 1xne h VAL 63 N -0.77 1.10 0.00 2.39 2.07 -1.36 0.22 116.25 119.90 1xne h VAL 63 Ca -0.07 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1xne h VAL 63 Cb 0.56 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xne h VAL 63 CO 0.11 0.12 -0.36 -0.07 0.02 0.00 0.00 177.57 177.39 1xne h LEU 64 N 0.33 0.00 0.10 2.57 4.07 -0.18 0.86 115.31 123.07 1xne h LEU 64 Ca 0.08 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.89 1xne h LEU 64 Cb 0.08 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.84 1xne h LEU 64 CO -0.01 0.36 -0.68 0.03 -1.08 0.00 0.00 178.44 177.07 1xne h ARG 65 N 0.00 0.27 0.00 1.13 2.47 0.29 -3.38 114.38 115.16 1xne h ARG 65 Ca -0.00 -0.43 -0.00 0.00 -1.26 0.00 0.00 59.98 58.28 1xne h ARG 65 Cb 1.02 0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1xne h ARG 65 CO 0.05 1.19 -0.00 1.49 0.56 0.00 0.00 179.97 183.25 1xne h GLU 66 N -0.41 0.00 -5.90 0.04 4.81 -0.69 -3.46 114.58 108.96 1xne h GLU 66 Ca -0.11 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.49 1xne h GLU 66 Cb 1.51 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.84 1xne h GLU 66 CO 0.13 0.84 -0.45 -1.21 -0.73 0.00 0.00 179.01 177.59 1xne s GLU 67 N -2.11 3.49 0.98 1.92 8.01 0.30 -5.08 118.70 126.21 1xne s GLU 67 Ca -0.16 -0.27 -0.14 0.00 0.01 0.00 0.00 54.97 54.41 1xne s GLU 67 Cb -0.02 -3.04 0.18 0.00 -4.31 0.00 0.00 34.13 26.93 1xne s GLU 67 CO 0.58 0.62 1.17 -1.25 0.01 0.00 0.00 175.26 176.40 1xne s PRO 68 N -2.15 0.55 -0.21 0.39 0.04 -1.26 -3.83 135.00 128.53 1xne s PRO 68 Ca 0.31 0.07 0.10 0.00 0.04 0.00 0.00 61.00 61.52 1xne s PRO 68 Cb -0.13 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.42 1xne s PRO 68 CO 0.21 -2.55 -0.06 -0.89 0.04 0.00 0.00 177.00 173.76 1xne n ILE 69 N -3.97 1.35 0.17 0.56 5.41 -1.26 -3.33 119.36 118.29 1xne n ILE 69 Ca 0.10 -0.69 0.12 0.00 1.00 0.00 0.00 62.75 63.28 1xne n ILE 69 Cb 0.59 -0.87 0.67 0.00 -0.71 0.00 0.00 39.64 39.33 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 0.00 0.00 4.38 2.03 -1.89 0.65 116.42 121.60 1xne h ASP 70 Ca -0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.77 1xne h ASP 70 Cb 2.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.53 1xne h ASP 70 CO -0.02 0.00 -0.31 0.11 -1.03 0.00 0.00 179.24 177.99 1xne h LYS 71 N 0.00 0.00 -1.01 4.15 1.57 -1.84 -3.36 116.57 116.08 1xne h LYS 71 Ca 0.09 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.14 1xne h LYS 71 Cb 0.35 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.53 1xne h LYS 71 CO -0.00 0.00 0.59 0.82 -0.57 0.00 0.00 179.45 180.29 1xne h ILE 72 N -1.00 0.45 -4.32 1.86 2.04 -1.51 -3.39 117.51 111.64 1xne h ILE 72 Ca 0.00 -0.17 -0.57 0.00 1.00 0.00 0.00 64.86 65.13 1xne h ILE 72 Cb 0.31 -0.08 -0.29 0.00 -0.74 0.00 0.00 36.82 36.02 1xne h ILE 72 CO 0.00 0.09 -0.84 -0.36 0.00 0.00 0.00 178.15 177.04 1xne s PHE 73 N -5.73 1.69 0.04 1.37 0.40 0.23 -4.85 117.98 111.13 1xne s PHE 73 Ca -0.10 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 55.73 1xne s PHE 73 Cb 0.28 -1.07 -0.21 0.00 0.51 0.00 0.00 43.02 42.53 1xne s PHE 73 CO 0.79 -0.01 1.17 -1.00 0.70 0.00 0.00 175.22 176.88 1xne h PRO 74 N 5.51 0.56 0.00 0.24 0.13 -1.77 -2.99 132.00 133.68 1xne h PRO 74 Ca -0.39 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1xne h PRO 74 Cb 1.15 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1xne h PRO 74 CO 0.47 1.17 0.06 -0.44 -0.23 0.00 0.00 178.00 179.03 1xne h ASP 75 N 0.15 0.00 -6.62 1.44 5.19 -1.91 -3.46 116.42 111.22 1xne h ASP 75 Ca -0.08 0.00 -0.47 0.00 -0.62 0.00 0.00 57.03 55.86 1xne h ASP 75 Cb 1.39 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.91 1xne h ASP 75 CO 0.14 0.00 -0.96 2.29 -3.12 0.00 0.00 179.24 177.60 1xne n LYS 76 N -2.57 -1.10 -0.10 3.56 2.85 -1.13 -4.95 118.16 114.72 1xne n LYS 76 Ca -0.02 0.58 -0.02 0.00 -1.05 0.00 0.00 58.31 57.80 1xne n LYS 76 Cb 0.10 -2.90 0.02 0.00 -0.65 0.00 0.00 35.03 31.60 1xne n LYS 76 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1xne n PRO 77 N -3.47 -0.62 -3.59 -1.58 -0.04 -1.26 -4.90 135.00 119.55 1xne n PRO 77 Ca -0.20 -0.13 -0.29 0.00 -0.04 0.00 0.00 63.50 62.83 1xne n PRO 77 Cb 0.63 -0.10 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.52 6.44 0.32 3.54 0.01 -1.26 -4.84 113.70 116.38 1xne s SER 78 Ca 0.05 0.55 0.10 0.00 1.31 0.00 0.00 55.95 57.97 1xne s SER 78 Cb -0.00 -2.07 0.93 0.00 0.21 0.00 0.00 66.02 65.09 1xne s SER 78 CO 0.04 -0.05 1.70 0.15 0.41 0.00 0.00 173.24 175.48 1xne h PHE 79 N 2.18 0.93 -0.05 2.43 3.04 -1.98 1.53 116.94 125.02 1xne h PHE 79 Ca -0.47 0.04 -0.23 0.00 3.98 0.00 0.00 57.97 61.28 1xne h PHE 79 Cb 1.18 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 39.45 1xne h PHE 79 CO 0.58 -0.04 -0.91 1.49 -2.02 0.00 0.00 178.31 177.41 1xne h GLU 80 N 0.47 0.61 -0.37 1.11 4.57 -1.99 -2.44 114.58 116.53 1xne h GLU 80 Ca 0.66 -0.59 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1xne h GLU 80 Cb 1.36 0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 1xne h GLU 80 CO -0.53 1.20 -0.23 -0.22 -1.18 0.00 0.00 179.01 178.05 1xne h LYS 81 N 0.37 0.73 -0.48 1.92 3.64 -0.57 -2.12 116.57 120.07 1xne h LYS 81 Ca -0.08 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 58.93 1xne h LYS 81 Cb 1.54 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.31 1xne h LYS 81 CO 0.17 0.89 -0.00 0.00 -2.27 0.00 0.00 179.45 178.24 1xne h ALA 82 N 1.11 1.10 -0.37 5.00 0.00 0.19 0.62 119.26 126.91 1xne h ALA 82 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xne h ALA 82 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xne h ALA 82 CO 0.06 0.57 0.17 1.25 0.00 0.00 0.00 179.25 181.30 1xne h LEU 83 N 0.74 0.50 -0.09 0.00 7.12 -1.04 -0.71 115.31 121.84 1xne h LEU 83 Ca 0.14 -0.14 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1xne h LEU 83 Cb 0.45 -0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.45 1xne h LEU 83 CO 0.02 0.51 -0.08 0.50 -0.13 0.00 0.00 178.44 179.25 1xne h LYS 84 N 0.46 0.21 -0.77 1.25 3.64 -1.02 -2.43 116.57 117.92 1xne h LYS 84 Ca 0.13 -0.11 0.18 0.00 -1.27 0.00 0.00 60.65 59.57 1xne h LYS 84 Cb 0.15 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.85 1xne h LYS 84 CO -0.01 0.63 0.17 0.00 -2.27 0.00 0.00 179.45 177.97 1xne h ARG 85 N -0.20 0.24 0.00 1.90 2.47 0.40 0.94 114.38 120.13 1xne h ARG 85 Ca 0.02 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1xne h ARG 85 Cb 0.59 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1xne h ARG 85 CO 0.02 0.16 -0.23 0.74 0.56 0.00 0.00 179.97 181.21 1xne h PHE 86 N 0.24 0.00 -0.74 3.04 -1.00 -1.06 -2.38 116.94 115.04 1xne h PHE 86 Ca 0.44 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.80 1xne h PHE 86 Cb 0.79 0.00 -0.24 0.00 3.61 0.00 0.00 35.95 40.11 1xne h PHE 86 CO -0.28 0.23 0.31 0.72 -1.61 0.00 0.00 178.31 177.69 1xne n HIS 87 N -3.61 2.33 0.00 -0.55 8.25 0.30 -4.41 115.22 117.53 1xne n HIS 87 Ca -0.01 -1.96 0.00 0.00 -0.26 0.00 0.00 57.72 55.49 1xne n HIS 87 Cb 0.37 -0.81 0.00 0.00 1.12 0.00 0.00 29.99 30.66 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 -1.08 0.12 -4.66 0.41 2.85 0.49 -4.94 115.26 108.45 1xne n ASN 88 Ca 0.49 0.00 -0.60 0.00 -0.11 0.00 0.00 54.58 54.36 1xne n ASN 88 Cb 1.24 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 42.18 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 -2.92 0.54 -2.88 1.20 2.81 -1.16 -3.19 117.12 111.52 1xne n MET 89 Ca 0.00 0.20 -0.03 0.00 -1.81 0.00 0.00 57.70 56.05 1xne n MET 89 Cb 0.44 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 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 3.58 -3.08 -0.04 2.03 4.01 -1.26 -4.95 117.16 117.45 1xne n TYR 90 Ca 0.25 1.34 -0.13 0.00 -0.16 0.00 0.00 57.90 59.19 1xne n TYR 90 Cb 0.07 -3.32 -0.11 0.00 -0.31 0.00 0.00 39.34 35.66 1xne n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xne h PRO 91 N 2.96 -0.00 -0.85 -0.72 0.13 -1.94 -3.33 132.00 128.25 1xne h PRO 91 Ca -0.03 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.19 1xne h PRO 91 Cb 0.43 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.44 1xne h PRO 91 CO 0.10 0.74 -0.56 0.87 -0.23 0.00 0.00 178.00 178.92 1xne h LYS 92 N -0.75 -0.10 -4.32 0.86 6.56 -1.92 -1.50 116.57 115.40 1xne h LYS 92 Ca -0.00 0.01 -0.70 0.00 -1.06 0.00 0.00 60.65 58.90 1xne h LYS 92 Cb 0.75 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 32.39 1xne h LYS 92 CO 0.00 -0.07 2.93 0.91 -2.06 0.00 0.00 179.45 181.17 1xne n TRP 93 N -5.30 3.61 -3.16 -1.35 8.01 -1.25 -4.93 117.44 113.07 1xne n TRP 93 Ca 0.01 -2.88 -0.38 0.00 -1.31 0.00 0.00 57.50 52.95 1xne n TRP 93 Cb 0.29 -2.53 -0.06 0.00 -2.01 0.00 0.00 31.31 27.01 1xne n TRP 93 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xne s LYS 94 N 3.49 4.28 0.00 -0.99 -2.85 -0.57 -4.94 119.74 118.17 1xne s LYS 94 Ca 0.49 0.86 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 1xne s LYS 94 Cb 0.12 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.79 1xne s LYS 94 CO -0.05 0.53 0.00 0.39 0.10 0.00 0.00 175.35 176.32 1xne n GLU 95 N 1.30 0.00 -1.69 1.78 -0.58 -1.26 -5.13 120.64 115.05 1xne n GLU 95 Ca -0.06 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.24 1xne n GLU 95 Cb 0.50 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.34 1xne n GLU 95 CO 0.00 0.00 0.00 2.48 -0.48 0.00 0.00 177.13 179.13 1xne n TYR 96 N -0.10 2.43 -0.95 -0.32 4.11 -1.26 -4.95 117.16 116.14 1xne n TYR 96 Ca 0.00 0.28 -0.31 0.00 -0.00 0.00 0.00 57.90 57.87 1xne n TYR 96 Cb 0.00 -2.55 0.15 0.00 -0.00 0.00 0.00 39.34 36.93 1xne n TYR 96 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 1xne s ARG 97 N 0.29 1.27 0.20 -3.48 0.52 -1.26 -5.05 118.95 111.45 1xne s ARG 97 Ca 0.72 1.24 -0.23 0.00 -0.52 0.00 0.00 55.73 56.95 1xne s ARG 97 Cb -0.61 -1.78 0.06 0.00 0.52 0.00 0.00 34.95 33.14 1xne s ARG 97 CO 0.42 -2.35 0.92 -0.47 0.02 0.00 0.00 175.30 173.84 1xne s TYR 98 N -2.76 -0.08 0.03 -0.53 5.04 -1.26 -5.07 117.35 112.72 1xne s TYR 98 Ca 0.65 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1xne s TYR 98 Cb -0.20 0.68 0.00 0.00 0.35 0.00 0.00 41.96 42.79 1xne s TYR 98 CO 0.58 -0.97 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 1xne n GLY 99 N -0.51 -4.17 2.48 8.97 0.00 -1.26 -4.70 105.19 106.00 1xne n GLY 99 Ca -0.05 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 1xne n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xne s VAL 100 N -0.24 0.52 -0.12 1.61 1.01 -1.26 -4.39 120.40 117.52 1xne s VAL 100 Ca 0.00 -2.34 0.03 0.00 0.00 0.00 0.00 61.98 59.66 1xne s VAL 100 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.02 1xne s VAL 100 CO 0.00 -1.08 -0.20 -0.22 0.00 0.00 0.00 175.10 173.59 1xne s LEU 101 N 0.42 1.99 -0.46 3.92 1.98 -1.25 -1.23 118.68 124.04 1xne s LEU 101 Ca 0.25 -0.54 -0.14 0.00 -2.89 0.00 0.00 54.13 50.81 1xne s LEU 101 Cb -0.11 -1.32 0.08 0.00 0.66 0.00 0.00 46.19 45.50 1xne s LEU 101 CO -0.09 0.08 0.37 0.00 -1.89 0.00 0.00 176.35 174.81 1xne s ALA 102 N 0.77 3.50 -0.29 5.97 0.00 -0.61 -3.44 121.76 127.66 1xne s ALA 102 Ca -0.09 -2.14 -0.14 0.00 0.00 0.00 0.00 51.96 49.58 1xne s ALA 102 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1xne s ALA 102 CO 0.00 -1.72 0.34 0.42 0.00 0.00 0.00 175.76 174.80 1xne s ILE 103 N 1.59 5.20 -0.32 0.00 1.01 -0.84 -2.73 121.20 125.11 1xne s ILE 103 Ca 0.04 0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.94 1xne s ILE 103 Cb -0.24 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.54 1xne s ILE 103 CO 0.05 0.09 0.11 -0.54 0.00 0.00 0.00 174.94 174.66 1xne s LYS 104 N 2.00 2.97 0.13 2.79 1.02 -0.69 0.28 119.74 128.23 1xne s LYS 104 Ca 0.12 -0.95 0.08 0.00 0.02 0.00 0.00 55.97 55.24 1xne s LYS 104 Cb -0.16 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 33.65 1xne s LYS 104 CO 0.11 -0.53 -0.18 -0.59 -0.92 0.00 0.00 175.35 173.24 1xne s PHE 105 N 1.49 1.67 -0.26 3.18 -0.12 -0.72 0.98 117.98 124.20 1xne s PHE 105 Ca 0.02 -0.47 0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1xne s PHE 105 Cb -0.18 -0.87 0.06 0.00 -0.63 0.00 0.00 43.02 41.40 1xne s PHE 105 CO 0.03 0.23 -0.09 0.50 -0.05 0.00 0.00 175.22 175.84 1xne s ARG 106 N -2.41 2.08 0.23 1.99 3.52 0.35 -4.69 118.95 120.02 1xne s ARG 106 Ca 0.10 -1.29 -0.31 0.00 -0.13 0.00 0.00 55.73 54.10 1xne s ARG 106 Cb -0.07 -2.83 -0.14 0.00 -1.56 0.00 0.00 34.95 30.35 1xne s ARG 106 CO 0.05 -0.59 1.33 1.55 -0.81 0.00 0.00 175.30 176.82 1xne n VAL 107 N 4.48 1.03 -3.36 7.11 3.14 -1.26 -1.36 118.33 128.10 1xne n VAL 107 Ca -0.13 -0.26 -0.38 0.00 -2.96 0.00 0.00 64.34 60.62 1xne n VAL 107 Cb 0.42 -1.31 -0.06 0.00 -1.06 0.00 0.00 33.84 31.83 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 0.19 4.28 0.00 6.55 1.43 -0.99 -4.61 118.68 125.53 1xne s LEU 108 Ca 0.68 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1xne s LEU 108 Cb -0.69 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 42.90 1xne s LEU 108 CO 0.51 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.74 1xne n GLY 109 N 3.22 1.23 3.14 -3.19 0.00 -1.26 -4.71 105.19 103.62 1xne n GLY 109 Ca -0.08 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.21 -3.12 1.61 0.63 -1.26 -4.89 116.66 109.42 1xne n ARG 110 Ca 0.00 -0.05 -0.39 0.00 -0.92 0.00 0.00 57.85 56.49 1xne n ARG 110 Cb 0.00 -1.29 -0.05 0.00 0.45 0.00 0.00 32.46 31.57 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 -1.35 6.99 0.16 6.15 1.47 -1.26 -5.05 116.67 123.78 1xne s ASP 111 Ca 0.45 1.19 0.03 0.00 1.18 0.00 0.00 52.55 55.40 1xne s ASP 111 Cb -0.14 -2.39 -0.01 0.00 -0.34 0.00 0.00 42.92 40.03 1xne s ASP 111 CO 0.75 -0.01 0.10 1.17 0.68 0.00 0.00 175.17 177.87 1xne n LYS 112 N 3.23 0.39 0.00 2.11 3.00 -1.26 -5.24 118.16 120.39 1xne n LYS 112 Ca -0.04 -1.46 0.00 0.00 -0.00 0.00 0.00 58.31 56.81 1xne n LYS 112 Cb 0.51 1.05 0.00 0.00 0.00 0.00 0.00 35.03 36.59 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49