#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 3.17 -0.13 2.12 2.20 -1.26 -4.73 119.74 121.10 1xne s LYS 2 Ca 0.00 0.58 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 1xne s LYS 2 Cb 0.00 -2.05 0.02 0.00 -1.51 0.00 0.00 37.83 34.29 1xne s LYS 2 CO 0.00 -0.84 -0.15 0.08 -0.36 0.00 0.00 175.35 174.08 1xne s VAL 3 N -3.28 1.57 -0.21 4.02 1.01 -1.25 0.19 120.40 122.45 1xne s VAL 3 Ca 0.57 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 1xne s VAL 3 Cb -0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1xne s VAL 3 CO 0.53 0.46 -0.03 -0.31 0.00 0.00 0.00 175.10 175.75 1xne s TYR 4 N 1.23 2.98 -0.57 5.22 1.51 0.13 -4.94 117.35 122.90 1xne s TYR 4 Ca -0.01 -0.72 -0.19 0.00 -1.01 0.00 0.00 57.07 55.14 1xne s TYR 4 Cb -0.14 -2.09 0.09 0.00 -0.11 0.00 0.00 41.96 39.71 1xne s TYR 4 CO -0.06 -0.41 0.69 1.03 -1.11 0.00 0.00 175.55 175.69 1xne s ARG 5 N 1.25 3.06 -0.27 -0.62 0.52 -1.26 0.19 118.95 121.83 1xne s ARG 5 Ca 0.03 -1.20 -0.14 0.00 -0.52 0.00 0.00 55.73 53.90 1xne s ARG 5 Cb -0.14 -4.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.06 1xne s ARG 5 CO -0.00 -1.48 0.35 -0.51 0.02 0.00 0.00 175.30 173.68 1xne s LEU 6 N 2.72 4.04 -0.31 2.53 1.43 0.16 -4.94 118.68 124.32 1xne s LEU 6 Ca 0.13 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 1xne s LEU 6 Cb -0.23 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1xne s LEU 6 CO 0.08 -0.16 1.05 -0.31 0.23 0.00 0.00 176.35 177.23 1xne s TYR 7 N 2.00 3.17 0.30 0.29 1.51 -1.26 0.43 117.35 123.79 1xne s TYR 7 Ca 0.14 1.20 0.05 0.00 -1.01 0.00 0.00 57.07 57.45 1xne s TYR 7 Cb -0.16 -3.61 -0.06 0.00 -0.11 0.00 0.00 41.96 38.02 1xne s TYR 7 CO 0.10 -0.72 -0.00 -0.51 -1.11 0.00 0.00 175.55 173.31 1xne s LEU 8 N 3.55 2.37 0.31 -1.29 1.02 -1.26 -4.89 118.68 118.49 1xne s LEU 8 Ca 0.44 -1.28 0.02 0.00 0.02 0.00 0.00 54.13 53.33 1xne s LEU 8 Cb -0.13 -0.52 -0.03 0.00 0.02 0.00 0.00 46.19 45.53 1xne s LEU 8 CO 0.14 -0.47 0.48 -0.54 0.02 0.00 0.00 176.35 175.98 1xne s LYS 9 N -3.80 3.47 0.37 1.70 -0.14 -1.26 -4.75 119.74 115.32 1xne s LYS 9 Ca 0.32 -0.49 0.06 0.00 -1.36 0.00 0.00 55.97 54.51 1xne s LYS 9 Cb 0.06 -2.75 0.76 0.00 -1.68 0.00 0.00 37.83 34.22 1xne s LYS 9 CO 0.13 0.25 1.97 0.22 -0.76 0.00 0.00 175.35 177.16 1xne h ASP 10 N 0.93 0.64 0.30 2.83 3.58 -2.01 1.49 116.42 124.18 1xne h ASP 10 Ca -0.51 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.94 1xne h ASP 10 Cb 1.22 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1xne h ASP 10 CO 0.61 0.42 -0.21 -0.33 -2.88 0.00 0.00 179.24 176.86 1xne h GLU 11 N 0.73 -0.48 -0.07 0.28 4.39 -2.00 0.28 114.58 117.71 1xne h GLU 11 Ca 0.30 0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.90 1xne h GLU 11 Cb 0.25 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1xne h GLU 11 CO -0.10 -0.32 -0.46 1.88 -1.16 0.00 0.00 179.01 178.85 1xne h TYR 12 N -0.50 0.61 -0.78 4.33 0.05 -1.77 -3.22 116.97 115.69 1xne h TYR 12 Ca -0.03 -0.28 0.13 0.00 0.05 0.00 0.00 58.73 58.60 1xne h TYR 12 Cb 0.43 -0.09 -0.09 0.00 1.01 0.00 0.00 36.73 37.99 1xne h TYR 12 CO -0.11 1.05 0.37 1.25 -1.05 0.00 0.00 178.16 179.67 1xne h LEU 13 N -0.01 0.43 -0.81 3.88 5.85 0.21 -0.39 115.31 124.47 1xne h LEU 13 Ca -0.04 0.09 0.19 0.00 0.84 0.00 0.00 57.88 58.96 1xne h LEU 13 Cb 1.12 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.03 1xne h LEU 13 CO 0.09 0.20 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.04 1xne h GLU 14 N 0.56 0.07 -0.78 1.25 5.08 -0.45 0.59 114.58 120.90 1xne h GLU 14 Ca 0.41 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.80 1xne h GLU 14 Cb 0.55 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 1xne h GLU 14 CO -0.34 0.04 0.49 0.52 -1.00 0.00 0.00 179.01 178.72 1xne h MET 15 N 0.07 0.92 -0.66 2.33 2.86 -1.16 0.34 114.93 119.62 1xne h MET 15 Ca 0.44 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 58.00 1xne h MET 15 Cb 0.79 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 1xne h MET 15 CO -0.74 0.61 0.30 0.28 1.06 0.00 0.00 176.91 178.41 1xne h VAL 16 N 0.94 1.22 -0.35 -2.22 2.07 0.22 -1.88 116.25 116.26 1xne h VAL 16 Ca 0.32 -0.65 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 1xne h VAL 16 Cb 0.05 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1xne h VAL 16 CO -0.13 0.27 -0.41 0.11 0.02 0.00 0.00 177.57 177.43 1xne h LYS 17 N 0.94 0.89 -0.04 1.57 1.79 0.42 -2.59 116.57 119.55 1xne h LYS 17 Ca 0.23 -0.49 0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1xne h LYS 17 Cb 0.13 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1xne h LYS 17 CO -0.03 1.14 0.05 0.66 -1.08 0.00 0.00 179.45 180.19 1xne h SER 18 N 0.70 0.00 0.00 0.86 4.64 0.31 -3.45 113.55 116.60 1xne h SER 18 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1xne h SER 18 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1xne h SER 18 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1xne n GLY 19 N -1.30 1.54 0.13 -0.77 0.00 -0.77 -4.92 105.19 99.11 1xne n GLY 19 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 3.29 0.31 -6.52 1.61 1.57 -1.76 -3.41 116.57 111.67 1xne h LYS 20 Ca 0.00 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.23 1xne h LYS 20 Cb 0.00 -0.07 0.03 0.00 0.08 0.00 0.00 32.23 32.27 1xne h LYS 20 CO 0.00 0.21 0.98 0.21 -0.57 0.00 0.00 179.45 180.28 1xne s LYS 21 N -6.17 4.19 0.00 3.15 2.47 -1.09 -4.65 119.74 117.63 1xne s LYS 21 Ca -0.13 2.39 0.00 0.00 -1.56 0.00 0.00 55.97 56.67 1xne s LYS 21 Cb 0.09 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 33.03 1xne s LYS 21 CO 0.70 -0.71 0.00 -2.13 0.16 0.00 0.00 175.35 173.37 1xne n ARG 22 N 5.01 0.00 -4.36 4.03 3.00 -1.26 -4.79 116.66 118.29 1xne n ARG 22 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.67 1xne n ARG 22 Cb 0.39 -0.17 -0.14 0.00 0.00 0.00 0.00 32.46 32.54 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 -1.59 3.03 -0.24 5.15 1.01 -1.26 -2.72 121.20 124.58 1xne s ILE 23 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.04 1xne s ILE 23 Cb 0.00 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.21 1xne s ILE 23 CO 0.00 0.49 -0.13 -1.83 0.00 0.00 0.00 174.94 173.47 1xne s GLU 24 N 0.90 2.42 -0.43 2.79 -1.05 -1.13 -3.89 118.70 118.30 1xne s GLU 24 Ca -0.02 -1.23 -0.26 0.00 -0.15 0.00 0.00 54.97 53.31 1xne s GLU 24 Cb -0.15 -2.83 0.02 0.00 -0.44 0.00 0.00 34.13 30.74 1xne s GLU 24 CO -0.00 -0.49 0.95 0.14 0.95 0.00 0.00 175.26 176.81 1xne s VAL 25 N 1.15 4.47 0.02 1.83 -7.23 -1.26 -3.80 120.40 115.58 1xne s VAL 25 Ca -0.06 0.96 0.00 0.00 -1.81 0.00 0.00 61.98 61.07 1xne s VAL 25 Cb -0.18 -4.42 0.00 0.00 0.56 0.00 0.00 36.38 32.33 1xne s VAL 25 CO -0.07 -0.76 0.03 -1.14 -0.31 0.00 0.00 175.10 172.85 1xne n ARG 26 N 7.13 1.01 -0.83 4.82 3.00 -1.20 -4.93 116.66 125.66 1xne n ARG 26 Ca 0.07 -0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1xne n ARG 26 Cb 0.48 -0.01 0.30 0.00 0.00 0.00 0.00 32.46 33.24 1xne n ARG 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xne n VAL 27 N -1.02 2.71 0.00 5.15 0.31 -1.26 -3.55 118.33 120.67 1xne n VAL 27 Ca 0.01 -1.77 0.00 0.00 -0.01 0.00 0.00 64.34 62.56 1xne n VAL 27 Cb 0.02 -0.31 0.00 0.00 -0.91 0.00 0.00 33.84 32.64 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 -0.20 0.00 -1.07 3.52 0.00 -1.26 -4.52 120.51 116.98 1xne n ALA 28 Ca 0.33 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.89 1xne n ALA 28 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.61 1xne n ALA 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xne n TYR 29 N 0.00 -2.37 -2.31 0.00 4.02 -1.26 -4.18 117.16 111.05 1xne n TYR 29 Ca 0.00 1.23 -0.34 0.00 -0.01 0.00 0.00 57.90 58.78 1xne n TYR 29 Cb 0.00 -2.15 -0.04 0.00 -0.02 0.00 0.00 39.34 37.13 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1xne s PRO 30 N -2.88 3.12 0.26 -0.72 0.04 -1.26 -3.57 135.00 130.00 1xne s PRO 30 Ca 0.00 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1xne s PRO 30 Cb 0.00 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.28 1xne s PRO 30 CO 0.00 -2.86 0.00 0.00 0.04 0.00 0.00 177.00 174.18 1xne n GLN 31 N 8.75 0.00 -0.30 4.56 10.64 -1.26 -4.97 117.38 134.80 1xne n GLN 31 Ca 0.39 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1xne n GLN 31 Cb 0.48 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.86 1xne n GLN 31 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1xne n LEU 32 N -3.07 0.01 0.20 2.61 -0.00 -1.26 -4.80 117.00 110.69 1xne n LEU 32 Ca 0.00 -0.61 0.06 0.00 -0.00 0.00 0.00 56.01 55.46 1xne n LEU 32 Cb 0.00 -0.00 0.40 0.00 -0.00 0.00 0.00 43.42 43.82 1xne n LEU 32 CO 0.00 0.15 0.73 0.07 -0.00 0.00 0.00 177.39 178.35 1xne h LYS 33 N 0.00 0.00 0.00 1.47 5.09 -1.73 -2.11 116.57 119.29 1xne h LYS 33 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.66 1xne h LYS 33 Cb 1.24 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.55 1xne h LYS 33 CO 0.00 0.33 -0.39 0.22 -2.09 0.00 0.00 179.45 177.52 1xne h ASP 34 N 0.00 0.00 -2.17 7.07 1.82 -1.87 -3.46 116.42 117.82 1xne h ASP 34 Ca -0.00 0.00 -0.59 0.00 -0.39 0.00 0.00 57.03 56.05 1xne h ASP 34 Cb 0.77 0.00 0.19 0.00 0.68 0.00 0.00 39.33 40.97 1xne h ASP 34 CO 0.04 0.39 -1.17 0.00 -1.61 0.00 0.00 179.24 176.89 1xne n ILE 35 N -3.43 0.31 -3.84 2.25 3.06 -0.80 -4.98 119.36 111.93 1xne n ILE 35 Ca 0.00 -0.49 -0.10 0.00 -2.50 0.00 0.00 62.75 59.67 1xne n ILE 35 Cb 0.56 -0.11 0.02 0.00 0.54 0.00 0.00 39.64 40.64 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 -1.42 2.21 0.39 9.51 -2.85 -1.26 -4.96 119.74 121.36 1xne s LYS 36 Ca 0.55 -1.48 -0.26 0.00 -1.00 0.00 0.00 55.97 53.78 1xne s LYS 36 Cb -0.42 0.61 -0.09 0.00 -2.06 0.00 0.00 37.83 35.87 1xne s LYS 36 CO 0.68 -1.02 1.23 0.50 0.10 0.00 0.00 175.35 176.83 1xne s ARG 37 N -2.37 4.07 0.00 1.78 3.52 -1.26 -2.98 118.95 121.71 1xne s ARG 37 Ca 0.17 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 1xne s ARG 37 Cb -0.05 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 1xne s ARG 37 CO 0.13 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 1xne n GLY 38 N 0.69 1.96 0.00 8.12 0.00 -1.21 -5.03 105.19 109.72 1xne n GLY 38 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -3.77 1.61 8.00 -1.16 -4.01 116.55 117.22 1xne n ASP 39 Ca 0.00 -0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.07 1xne n ASP 39 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 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 -0.39 0.52 -0.09 -1.24 2.20 0.51 -3.30 119.74 117.94 1xne s LYS 40 Ca 0.00 0.07 0.02 0.00 -0.36 0.00 0.00 55.97 55.70 1xne s LYS 40 Cb 0.00 0.24 0.01 0.00 -1.51 0.00 0.00 37.83 36.57 1xne s LYS 40 CO 0.00 -0.12 -0.16 0.42 -0.36 0.00 0.00 175.35 175.13 1xne s ILE 41 N -0.67 1.49 -0.39 5.43 1.01 0.41 0.17 121.20 128.65 1xne s ILE 41 Ca -0.08 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1xne s ILE 41 Cb -0.04 -1.34 0.06 0.00 0.01 0.00 0.00 42.46 41.15 1xne s ILE 41 CO 0.02 0.44 0.22 -0.63 0.00 0.00 0.00 174.94 174.99 1xne s ILE 42 N 0.74 4.19 -0.18 2.92 -1.09 0.51 0.19 121.20 128.49 1xne s ILE 42 Ca -0.12 -1.25 -0.29 0.00 -2.23 0.00 0.00 60.65 56.76 1xne s ILE 42 Cb -0.16 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 37.23 1xne s ILE 42 CO 0.02 -0.39 1.05 -0.36 -1.23 0.00 0.00 174.94 174.03 1xne s PHE 43 N 1.44 3.35 -0.76 3.97 0.08 0.11 -0.66 117.98 125.51 1xne s PHE 43 Ca 0.02 1.47 0.00 0.00 0.12 0.00 0.00 56.93 58.54 1xne s PHE 43 Cb -0.22 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 38.97 1xne s PHE 43 CO 0.03 -0.52 0.00 0.09 -0.10 0.00 0.00 175.22 174.72 1xne n ASN 44 N 5.88 -5.45 -3.60 1.36 4.13 0.17 -2.11 115.26 115.64 1xne n ASN 44 Ca 0.11 0.18 -0.21 0.00 1.68 0.00 0.00 54.58 56.34 1xne n ASN 44 Cb 0.47 -3.58 0.05 0.00 -1.54 0.00 0.00 39.78 35.18 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 -0.90 -2.42 0.00 6.41 2.03 -1.17 -4.78 116.55 115.71 1xne n ASP 45 Ca -0.07 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.45 1xne n ASP 45 Cb 0.50 -4.31 0.00 0.00 -0.72 0.00 0.00 41.12 36.59 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1xne n LEU 46 N -4.11 0.00 -4.41 -2.67 0.00 -0.93 -5.07 117.00 99.81 1xne n LEU 46 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.35 1xne n LEU 46 Cb 0.66 0.26 -0.11 0.00 0.00 0.00 0.00 43.42 44.23 1xne n LEU 46 CO 0.66 -0.32 -0.14 -0.63 0.00 0.00 0.00 177.39 176.96 1xne s ILE 47 N -1.63 4.78 0.64 1.96 1.01 -0.90 -4.95 121.20 122.10 1xne s ILE 47 Ca 0.00 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 1xne s ILE 47 Cb 0.00 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1xne s ILE 47 CO 0.00 -0.22 1.05 -2.16 0.00 0.00 0.00 174.94 173.61 1xne s PRO 48 N 1.60 3.18 -0.07 2.79 0.04 -1.26 0.05 135.00 141.34 1xne s PRO 48 Ca 0.03 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 61.98 1xne s PRO 48 Cb -0.19 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.37 1xne s PRO 48 CO 0.08 -0.91 0.38 0.00 0.04 0.00 0.00 177.00 176.59 1xne s ALA 49 N -2.75 -0.96 -0.09 8.56 0.00 0.50 -2.28 121.76 124.74 1xne s ALA 49 Ca 0.61 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 1xne s ALA 49 Cb -0.15 -0.19 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1xne s ALA 49 CO 0.45 -0.25 -0.00 -2.00 0.00 0.00 0.00 175.76 173.96 1xne s GLU 50 N -0.77 3.00 -0.18 0.00 2.12 -0.29 0.16 118.70 122.73 1xne s GLU 50 Ca -0.09 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1xne s GLU 50 Cb -0.04 -2.79 -0.01 0.00 0.26 0.00 0.00 34.13 31.55 1xne s GLU 50 CO 0.04 0.69 1.16 0.08 -0.54 0.00 0.00 175.26 176.69 1xne s VAL 51 N -0.84 4.45 -0.17 3.70 1.01 -1.21 0.13 120.40 127.48 1xne s VAL 51 Ca 0.13 1.75 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 1xne s VAL 51 Cb -0.11 -4.13 -0.22 0.00 0.00 0.00 0.00 36.38 31.91 1xne s VAL 51 CO 0.02 -0.14 0.32 0.58 0.00 0.00 0.00 175.10 175.88 1xne h VAL 52 N 5.42 0.88 -1.37 2.92 2.07 0.44 -3.20 116.25 123.40 1xne h VAL 52 Ca -0.24 -2.26 0.13 0.00 0.82 0.00 0.00 66.70 65.15 1xne h VAL 52 Cb 1.09 2.40 -0.27 0.00 -1.52 0.00 0.00 31.29 32.99 1xne h VAL 52 CO 0.96 0.53 0.67 -0.70 0.02 0.00 0.00 177.57 179.05 1xne s GLU 53 N -2.43 0.36 0.01 1.57 2.56 -0.66 -4.81 118.70 115.31 1xne s GLU 53 Ca -0.26 0.22 0.06 0.00 0.00 0.00 0.00 54.97 54.99 1xne s GLU 53 Cb 0.06 0.17 -0.02 0.00 2.00 0.00 0.00 34.13 36.34 1xne s GLU 53 CO 0.67 -0.09 -0.19 0.08 -0.56 0.00 0.00 175.26 175.17 1xne s VAL 54 N -0.54 1.52 -0.00 3.70 1.01 -1.26 0.96 120.40 125.78 1xne s VAL 54 Ca 0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 1xne s VAL 54 Cb -0.03 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.06 1xne s VAL 54 CO -0.06 0.31 0.02 -0.75 0.00 0.00 0.00 175.10 174.63 1xne s LYS 55 N -0.76 0.12 0.23 2.72 2.36 0.37 -5.00 119.74 119.78 1xne s LYS 55 Ca 0.07 -0.11 0.10 0.00 -2.55 0.00 0.00 55.97 53.47 1xne s LYS 55 Cb -0.08 0.05 -0.04 0.00 -1.05 0.00 0.00 37.83 36.70 1xne s LYS 55 CO 0.00 -0.02 -0.07 0.21 1.55 0.00 0.00 175.35 177.02 1xne s LYS 56 N -0.36 2.11 0.30 4.03 2.20 -1.26 0.19 119.74 126.94 1xne s LYS 56 Ca -0.04 -1.39 -0.16 0.00 -0.36 0.00 0.00 55.97 54.02 1xne s LYS 56 Cb -0.03 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.20 1xne s LYS 56 CO -0.00 0.39 0.64 0.71 -0.36 0.00 0.00 175.35 176.73 1xne s TYR 57 N -2.06 0.14 -0.20 4.03 2.02 -1.00 -4.92 117.35 115.37 1xne s TYR 57 Ca 0.28 -0.60 -0.13 0.00 -0.37 0.00 0.00 57.07 56.25 1xne s TYR 57 Cb -0.07 0.51 -0.08 0.00 -0.40 0.00 0.00 41.96 41.91 1xne s TYR 57 CO 0.17 -1.22 -0.30 0.39 -1.57 0.00 0.00 175.55 173.02 1xne n GLU 58 N -0.46 0.48 -2.79 -0.62 1.02 -1.26 -4.47 120.64 112.54 1xne n GLU 58 Ca -0.04 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.90 1xne n GLU 58 Cb 0.60 -1.32 -0.05 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.55 4.43 0.16 2.62 2.01 -1.26 -4.78 115.64 116.27 1xne s THR 59 Ca -0.30 1.98 -0.02 0.00 0.31 0.00 0.00 61.69 63.66 1xne s THR 59 Cb 0.10 -4.28 -0.13 0.00 0.01 0.00 0.00 72.50 68.20 1xne s THR 59 CO 0.40 0.38 1.39 2.19 -0.69 0.00 0.00 174.62 178.29 1xne h PHE 60 N 5.17 0.57 -0.85 4.92 -5.15 -1.91 -3.17 116.94 116.52 1xne h PHE 60 Ca -0.44 -0.27 -0.03 0.00 -0.20 0.00 0.00 57.97 57.03 1xne h PHE 60 Cb 1.21 -0.08 -0.04 0.00 0.22 0.00 0.00 35.95 37.26 1xne h PHE 60 CO 0.64 1.05 0.41 -0.09 -2.00 0.00 0.00 178.31 178.31 1xne h ARG 61 N 0.27 1.23 -0.89 6.09 1.12 -2.00 -2.32 114.38 117.88 1xne h ARG 61 Ca -0.04 -0.18 0.06 0.00 -1.11 0.00 0.00 59.98 58.70 1xne h ARG 61 Cb 1.39 -0.22 -0.06 0.00 -0.01 0.00 0.00 29.97 31.06 1xne h ARG 61 CO 0.14 0.95 0.56 0.37 -3.11 0.00 0.00 179.97 178.87 1xne h GLN 62 N 1.22 1.00 -0.08 0.20 -0.00 -1.96 0.14 115.11 115.62 1xne h GLN 62 Ca 0.29 -0.06 0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1xne h GLN 62 Cb 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.37 1xne h GLN 62 CO -0.04 0.66 0.06 0.28 0.00 0.00 0.00 178.83 179.80 1xne h VAL 63 N 1.03 0.88 0.00 2.39 2.07 -1.42 0.41 116.25 121.62 1xne h VAL 63 Ca 0.38 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.82 1xne h VAL 63 Cb 0.14 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xne h VAL 63 CO -0.16 0.00 -0.37 -0.07 0.02 0.00 0.00 177.57 176.99 1xne h LEU 64 N 0.00 0.00 0.08 2.57 4.07 -0.60 0.99 115.31 122.42 1xne h LEU 64 Ca 0.04 0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.85 1xne h LEU 64 Cb 0.16 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.92 1xne h LEU 64 CO -0.00 0.37 -0.62 0.03 -1.08 0.00 0.00 178.44 177.14 1xne h ARG 65 N 0.00 0.27 0.22 1.13 2.47 0.52 -3.39 114.38 115.61 1xne h ARG 65 Ca -0.00 -0.40 -0.01 0.00 -1.26 0.00 0.00 59.98 58.30 1xne h ARG 65 Cb 1.16 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1xne h ARG 65 CO 0.05 1.16 -0.11 0.93 0.56 0.00 0.00 179.97 182.56 1xne h GLU 66 N -0.41 -0.29 -6.54 0.04 4.39 -0.95 -3.46 114.58 107.38 1xne h GLU 66 Ca -0.10 0.02 -0.52 0.00 0.34 0.00 0.00 59.36 59.10 1xne h GLU 66 Cb 1.44 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.13 1xne h GLU 66 CO 0.12 -0.14 -0.05 -1.21 -1.16 0.00 0.00 179.01 176.56 1xne s GLU 67 N -2.62 3.82 1.05 2.33 0.41 0.34 -5.08 118.70 118.95 1xne s GLU 67 Ca -0.05 0.34 -0.17 0.00 -0.41 0.00 0.00 54.97 54.68 1xne s GLU 67 Cb 0.00 -2.58 0.23 0.00 -1.78 0.00 0.00 34.13 30.00 1xne s GLU 67 CO 0.17 0.24 1.20 -1.25 -0.49 0.00 0.00 175.26 175.14 1xne s PRO 68 N -3.02 -0.04 -0.09 0.39 0.04 -1.26 -4.17 135.00 126.85 1xne s PRO 68 Ca 0.49 -0.15 0.04 0.00 0.04 0.00 0.00 61.00 61.41 1xne s PRO 68 Cb -0.11 -1.74 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1xne s PRO 68 CO 0.22 -2.91 -0.03 -0.89 0.04 0.00 0.00 177.00 173.43 1xne n ILE 69 N -4.17 0.58 -0.34 0.56 5.41 -1.26 -4.12 119.36 116.01 1xne n ILE 69 Ca 0.13 -0.29 0.02 0.00 1.00 0.00 0.00 62.75 63.61 1xne n ILE 69 Cb 0.59 -0.83 0.16 0.00 -0.71 0.00 0.00 39.64 38.85 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 0.92 0.11 4.38 2.03 -1.95 1.32 116.42 123.24 1xne h ASP 70 Ca -0.23 0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 56.08 1xne h ASP 70 Cb 1.43 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 1xne h ASP 70 CO -0.01 0.59 -0.05 0.11 -1.03 0.00 0.00 179.24 178.84 1xne h LYS 71 N 1.06 -0.14 -0.15 4.15 1.79 -1.83 -3.20 116.57 118.24 1xne h LYS 71 Ca 0.40 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.92 1xne h LYS 71 Cb 0.17 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1xne h LYS 71 CO -0.17 0.29 -0.07 0.82 -1.08 0.00 0.00 179.45 179.23 1xne h ILE 72 N -0.64 0.76 -3.31 1.86 2.04 -1.55 -3.35 117.51 113.32 1xne h ILE 72 Ca -0.02 0.00 -0.55 0.00 1.00 0.00 0.00 64.86 65.29 1xne h ILE 72 Cb 0.50 0.76 -0.34 0.00 -0.74 0.00 0.00 36.82 36.99 1xne h ILE 72 CO 0.02 0.00 -0.82 -0.36 0.00 0.00 0.00 178.15 176.99 1xne s PHE 73 N -6.19 1.72 -0.07 1.37 0.08 0.45 -4.92 117.98 110.42 1xne s PHE 73 Ca -0.14 -0.75 0.24 0.00 0.12 0.00 0.00 56.93 56.40 1xne s PHE 73 Cb 0.10 -1.27 0.71 0.00 -0.57 0.00 0.00 43.02 41.99 1xne s PHE 73 CO 0.68 -0.41 1.73 -1.00 -0.10 0.00 0.00 175.22 176.13 1xne h PRO 74 N 7.35 0.00 0.00 0.24 0.13 -1.78 -2.80 132.00 135.15 1xne h PRO 74 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1xne h PRO 74 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1xne h PRO 74 CO 0.47 0.17 0.00 -0.44 -0.23 0.00 0.00 178.00 177.98 1xne h ASP 75 N 0.00 0.00 -5.92 1.44 3.32 -1.91 -3.47 116.42 109.88 1xne h ASP 75 Ca -0.00 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.80 1xne h ASP 75 Cb 0.88 0.00 0.04 0.00 0.22 0.00 0.00 39.33 40.47 1xne h ASP 75 CO 0.02 0.00 -0.57 0.29 -1.72 0.00 0.00 179.24 177.27 1xne n LYS 76 N -2.48 -1.43 -1.50 3.56 5.02 -1.05 -4.98 118.16 115.30 1xne n LYS 76 Ca -0.00 1.02 -0.30 0.00 -2.02 0.00 0.00 58.31 57.01 1xne n LYS 76 Cb 0.14 -4.52 0.23 0.00 -0.02 0.00 0.00 35.03 30.86 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 -2.66 -2.22 -3.95 1.97 -0.04 -1.26 -5.06 135.00 121.77 1xne n PRO 77 Ca -0.11 -1.93 -0.27 0.00 -0.04 0.00 0.00 63.50 61.15 1xne n PRO 77 Cb 0.58 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 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 -5.23 6.27 0.32 3.54 0.01 -1.26 -4.87 113.70 112.48 1xne s SER 78 Ca 0.74 0.16 0.10 0.00 1.31 0.00 0.00 55.95 58.27 1xne s SER 78 Cb -0.04 -1.88 0.94 0.00 0.21 0.00 0.00 66.02 65.24 1xne s SER 78 CO 0.54 0.07 1.70 0.15 0.41 0.00 0.00 173.24 176.11 1xne h PHE 79 N 2.33 0.91 -0.05 2.43 3.04 -1.98 1.54 116.94 125.16 1xne h PHE 79 Ca -0.48 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 61.36 1xne h PHE 79 Cb 1.19 -0.24 0.01 0.00 2.56 0.00 0.00 35.95 39.46 1xne h PHE 79 CO 0.55 -0.05 -0.57 1.49 -2.02 0.00 0.00 178.31 177.71 1xne h GLU 80 N 0.45 0.47 -0.76 1.11 4.57 -2.00 -2.85 114.58 115.56 1xne h GLU 80 Ca 0.67 -0.44 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1xne h GLU 80 Cb 1.37 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 30.04 1xne h GLU 80 CO -0.54 1.08 0.37 -0.22 -1.18 0.00 0.00 179.01 178.53 1xne h LYS 81 N 0.02 1.10 -0.94 1.92 3.64 -1.04 -1.75 116.57 119.51 1xne h LYS 81 Ca -0.06 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1xne h LYS 81 Cb 1.24 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.80 1xne h LYS 81 CO 0.11 0.85 0.61 0.00 -2.27 0.00 0.00 179.45 178.76 1xne h ALA 82 N 1.19 1.47 0.06 5.00 0.00 0.20 1.39 119.26 128.56 1xne h ALA 82 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1xne h ALA 82 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xne h ALA 82 CO -0.03 0.40 -0.05 1.25 0.00 0.00 0.00 179.25 180.81 1xne h LEU 83 N 1.09 -0.13 -0.09 0.00 7.12 -1.08 0.45 115.31 122.66 1xne h LEU 83 Ca 0.40 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.40 1xne h LEU 83 Cb 0.18 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1xne h LEU 83 CO -0.15 -0.08 -0.03 0.50 -0.13 0.00 0.00 178.44 178.55 1xne h LYS 84 N -0.12 0.18 -0.50 1.25 3.64 -0.84 -3.13 116.57 117.05 1xne h LYS 84 Ca 0.00 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1xne h LYS 84 Cb 0.11 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.84 1xne h LYS 84 CO -0.01 0.51 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.55 1xne h ARG 85 N -0.16 0.07 -2.92 1.90 9.65 0.20 0.18 114.38 123.30 1xne h ARG 85 Ca 0.02 -0.00 -0.40 0.00 -1.10 0.00 0.00 59.98 58.50 1xne h ARG 85 Cb 0.45 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.01 1xne h ARG 85 CO 0.01 0.05 2.13 1.19 2.80 0.00 0.00 179.97 186.15 1xne n PHE 86 N -5.28 1.27 0.00 2.20 3.72 0.15 -3.34 117.46 116.19 1xne n PHE 86 Ca 0.05 -2.07 0.00 0.00 -0.05 0.00 0.00 57.45 55.39 1xne n PHE 86 Cb 0.27 -1.82 0.00 0.00 -0.94 0.00 0.00 39.48 36.99 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 3.51 0.00 -1.82 1.38 8.25 -0.93 -4.94 115.22 120.67 1xne n HIS 87 Ca 0.52 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.77 1xne n HIS 87 Cb 0.34 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 1xne n HIS 87 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1xne s ASN 88 N 0.00 4.50 0.00 0.41 3.84 0.58 -4.73 114.94 119.55 1xne s ASN 88 Ca 0.00 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.61 1xne s ASN 88 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1xne s ASN 88 CO 0.00 -3.37 0.00 1.15 -2.79 0.00 0.00 177.10 172.09 1xne n MET 89 N 8.76 0.00 -2.97 0.43 0.00 -1.26 -4.85 117.12 117.24 1xne n MET 89 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 58.08 1xne n MET 89 Cb 0.45 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.68 1xne n MET 89 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1xne n TYR 90 N 0.00 -2.58 -1.54 3.17 4.01 -1.26 -4.97 117.16 113.99 1xne n TYR 90 Ca 0.00 1.11 -0.29 0.00 -0.16 0.00 0.00 57.90 58.56 1xne n TYR 90 Cb 0.00 -2.88 0.11 0.00 -0.31 0.00 0.00 39.34 36.27 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 -1.67 1.65 -0.39 -0.72 0.04 -1.26 -5.02 135.00 127.63 1xne s PRO 91 Ca 0.08 0.48 0.01 0.00 0.04 0.00 0.00 61.00 61.61 1xne s PRO 91 Cb -0.01 -1.88 0.27 0.00 0.04 0.00 0.00 34.50 32.91 1xne s PRO 91 CO 0.55 -1.89 1.12 1.17 0.04 0.00 0.00 177.00 178.00 1xne n LYS 92 N -3.59 0.38 -3.09 4.56 4.81 -1.26 -5.02 118.16 114.96 1xne n LYS 92 Ca 0.07 -1.10 -0.16 0.00 -0.87 0.00 0.00 58.31 56.25 1xne n LYS 92 Cb 0.58 -0.68 0.02 0.00 0.02 0.00 0.00 35.03 34.96 1xne n LYS 92 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1xne n TRP 93 N 1.45 -3.17 -2.19 5.64 8.01 -1.26 -4.60 117.44 121.33 1xne n TRP 93 Ca 0.04 1.28 0.00 0.00 -1.31 0.00 0.00 57.50 57.51 1xne n TRP 93 Cb 0.68 -3.44 0.00 0.00 -2.01 0.00 0.00 31.31 26.54 1xne n TRP 93 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1xne n LYS 94 N -0.54 -5.42 -2.02 -0.99 5.02 -1.26 -4.89 118.16 108.07 1xne n LYS 94 Ca 0.03 3.88 -0.38 0.00 -2.02 0.00 0.00 58.31 59.82 1xne n LYS 94 Cb 0.53 -4.46 0.01 0.00 -0.02 0.00 0.00 35.03 31.10 1xne n LYS 94 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xne s GLU 95 N -0.64 3.50 0.00 1.97 2.12 -1.26 -5.02 118.70 119.36 1xne s GLU 95 Ca 0.00 2.02 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1xne s GLU 95 Cb 0.00 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.02 1xne s GLU 95 CO 0.00 -0.84 0.00 0.98 -0.54 0.00 0.00 175.26 174.86 1xne n TYR 96 N -0.67 0.00 -1.20 5.30 9.36 -1.26 -5.10 117.16 123.59 1xne n TYR 96 Ca 0.08 0.00 0.15 0.00 3.32 0.00 0.00 57.90 61.45 1xne n TYR 96 Cb 0.46 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.11 1xne n TYR 96 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1xne n ARG 97 N 0.00 -2.67 -0.03 2.98 1.74 -1.26 -4.93 116.66 112.49 1xne n ARG 97 Ca 0.00 2.09 -0.06 0.00 -0.77 0.00 0.00 57.85 59.10 1xne n ARG 97 Cb 0.00 -3.16 -0.02 0.00 -1.02 0.00 0.00 32.46 28.25 1xne n ARG 97 CO 0.00 0.00 0.00 2.48 -1.52 0.00 0.00 177.63 178.59 1xne n TYR 98 N -3.98 0.00 -2.87 -1.55 4.11 -1.26 -5.11 117.16 106.51 1xne n TYR 98 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.82 1xne n TYR 98 Cb 0.56 -0.23 -0.02 0.00 -0.00 0.00 0.00 39.34 39.65 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xne n GLY 99 N 2.76 -2.57 2.70 -7.48 0.00 -1.26 -4.93 105.19 94.41 1xne n GLY 99 Ca -0.12 0.77 -0.20 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.58 -0.28 -0.12 1.61 1.01 -1.23 -4.74 120.40 116.07 1xne s VAL 100 Ca -0.11 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 1xne s VAL 100 Cb 0.01 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.51 1xne s VAL 100 CO 0.41 -0.59 0.28 -0.22 0.00 0.00 0.00 175.10 174.98 1xne s LEU 101 N 1.95 0.39 -0.32 3.92 0.20 -1.24 -2.37 118.68 121.21 1xne s LEU 101 Ca 0.12 0.60 -0.08 0.00 0.69 0.00 0.00 54.13 55.47 1xne s LEU 101 Cb -0.16 0.89 0.02 0.00 -0.43 0.00 0.00 46.19 46.51 1xne s LEU 101 CO -0.22 -0.16 0.12 0.00 -0.29 0.00 0.00 176.35 175.80 1xne s ALA 102 N 1.12 3.13 -0.15 5.97 0.00 0.50 -3.21 121.76 129.13 1xne s ALA 102 Ca -0.08 -1.56 -0.01 0.00 0.00 0.00 0.00 51.96 50.31 1xne s ALA 102 Cb -0.09 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.72 1xne s ALA 102 CO -0.08 -1.10 -0.11 0.42 0.00 0.00 0.00 175.76 174.89 1xne s ILE 103 N 1.51 3.15 -0.29 0.00 1.01 -1.25 0.14 121.20 125.47 1xne s ILE 103 Ca 0.02 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1xne s ILE 103 Cb -0.18 -2.35 0.03 0.00 0.01 0.00 0.00 42.46 39.97 1xne s ILE 103 CO 0.04 0.50 0.01 -0.54 0.00 0.00 0.00 174.94 174.96 1xne s LYS 104 N 0.57 2.74 0.12 2.79 1.02 0.27 -2.86 119.74 124.41 1xne s LYS 104 Ca -0.07 -1.06 0.10 0.00 0.02 0.00 0.00 55.97 54.95 1xne s LYS 104 Cb -0.15 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1xne s LYS 104 CO 0.03 -0.51 -0.23 -0.59 -0.92 0.00 0.00 175.35 173.13 1xne s PHE 105 N 1.36 2.03 -0.28 3.18 -0.12 -1.10 0.11 117.98 123.15 1xne s PHE 105 Ca -0.01 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.48 1xne s PHE 105 Cb -0.18 -1.09 0.06 0.00 -0.63 0.00 0.00 43.02 41.18 1xne s PHE 105 CO -0.01 0.29 -0.05 0.50 -0.05 0.00 0.00 175.22 175.90 1xne s ARG 106 N -2.08 2.26 0.09 1.99 3.52 0.34 -4.78 118.95 120.29 1xne s ARG 106 Ca 0.11 -1.36 -0.33 0.00 -0.13 0.00 0.00 55.73 54.02 1xne s ARG 106 Cb -0.10 -3.04 -0.12 0.00 -1.56 0.00 0.00 34.95 30.13 1xne s ARG 106 CO 0.05 -0.62 1.73 1.55 -0.81 0.00 0.00 175.30 177.21 1xne n VAL 107 N 4.50 0.25 -3.07 7.11 3.14 -1.26 -1.14 118.33 127.85 1xne n VAL 107 Ca -0.12 -0.05 -0.43 0.00 -2.96 0.00 0.00 64.34 60.78 1xne n VAL 107 Cb 0.42 -1.80 -0.06 0.00 -1.06 0.00 0.00 33.84 31.34 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 2.24 4.68 0.00 6.55 1.43 -0.97 -4.56 118.68 128.05 1xne s LEU 108 Ca 0.83 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.25 1xne s LEU 108 Cb -0.62 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.01 1xne s LEU 108 CO 0.41 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1xne n GLY 109 N 5.13 -0.65 3.30 -3.19 0.00 -1.26 -4.62 105.19 103.90 1xne n GLY 109 Ca -0.04 0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.13 -1.74 1.61 0.63 -1.26 -4.91 116.66 110.86 1xne n ARG 110 Ca 0.00 -0.01 -0.33 0.00 -0.92 0.00 0.00 57.85 56.59 1xne n ARG 110 Cb 0.00 -1.59 0.05 0.00 0.45 0.00 0.00 32.46 31.37 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 -1.64 5.06 0.67 6.15 -4.77 -1.26 -5.03 116.67 115.85 1xne s ASP 111 Ca 0.53 2.01 0.01 0.00 -3.30 0.00 0.00 52.55 51.80 1xne s ASP 111 Cb -0.23 -2.55 0.10 0.00 -1.09 0.00 0.00 42.92 39.16 1xne s ASP 111 CO 0.71 -1.66 0.92 -0.54 0.70 0.00 0.00 175.17 175.30 1xne s LYS 112 N -4.10 1.93 0.00 2.11 3.01 -1.26 -5.06 119.74 116.37 1xne s LYS 112 Ca 0.67 -1.10 0.15 0.00 -1.01 0.00 0.00 55.97 54.68 1xne s LYS 112 Cb -0.21 -2.40 0.12 0.00 -1.01 0.00 0.00 37.83 34.33 1xne s LYS 112 CO 0.42 -1.23 0.98 -1.91 0.51 0.00 0.00 175.35 174.12