#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 2.33 -0.14 2.12 1.02 -1.26 -4.72 119.74 119.08 1xne s LYS 2 Ca 0.00 0.85 0.02 0.00 0.02 0.00 0.00 55.97 56.86 1xne s LYS 2 Cb 0.00 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.39 1xne s LYS 2 CO 0.00 -1.50 -0.19 0.08 -0.92 0.00 0.00 175.35 172.81 1xne s VAL 3 N -3.05 1.89 -0.24 3.17 1.01 -1.26 -0.22 120.40 121.69 1xne s VAL 3 Ca 0.60 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 1xne s VAL 3 Cb -0.15 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.53 1xne s VAL 3 CO 0.55 0.52 -0.00 -0.31 0.00 0.00 0.00 175.10 175.85 1xne s TYR 4 N 1.01 3.03 -0.45 5.22 1.51 0.59 -4.97 117.35 123.29 1xne s TYR 4 Ca -0.04 -0.97 -0.19 0.00 -1.01 0.00 0.00 57.07 54.86 1xne s TYR 4 Cb -0.15 -2.15 0.03 0.00 -0.11 0.00 0.00 41.96 39.59 1xne s TYR 4 CO -0.05 -0.56 0.57 1.03 -1.11 0.00 0.00 175.55 175.43 1xne s ARG 5 N 1.48 3.17 -0.24 -0.62 0.52 -1.26 0.19 118.95 122.19 1xne s ARG 5 Ca 0.04 -0.64 -0.09 0.00 -0.52 0.00 0.00 55.73 54.53 1xne s ARG 5 Cb -0.15 -3.99 -0.04 0.00 0.52 0.00 0.00 34.95 31.28 1xne s ARG 5 CO -0.01 -1.01 0.11 -0.51 0.02 0.00 0.00 175.30 173.90 1xne s LEU 6 N 2.54 3.74 -0.32 2.53 1.43 0.45 -4.93 118.68 124.11 1xne s LEU 6 Ca 0.17 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 1xne s LEU 6 Cb -0.16 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1xne s LEU 6 CO 0.15 0.02 1.04 -0.31 0.23 0.00 0.00 176.35 177.48 1xne s TYR 7 N 1.33 3.15 0.35 0.29 2.02 -1.26 0.10 117.35 123.34 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 -3.65 -0.07 0.00 -0.40 0.00 0.00 41.96 37.69 1xne s TYR 7 CO 0.05 -0.76 0.03 -0.51 -1.57 0.00 0.00 175.55 172.79 1xne s LEU 8 N 3.59 2.47 0.06 -1.29 1.02 -1.26 -4.86 118.68 118.40 1xne s LEU 8 Ca 0.44 -1.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.22 1xne s LEU 8 Cb -0.12 -0.60 -0.04 0.00 0.02 0.00 0.00 46.19 45.44 1xne s LEU 8 CO 0.15 -0.52 0.23 -0.54 0.02 0.00 0.00 176.35 175.69 1xne s LYS 9 N -3.81 3.47 0.57 1.70 1.02 -1.26 -4.72 119.74 116.71 1xne s LYS 9 Ca 0.35 -0.36 0.31 0.00 0.02 0.00 0.00 55.97 56.29 1xne s LYS 9 Cb 0.09 -3.03 1.43 0.00 -0.52 0.00 0.00 37.83 35.80 1xne s LYS 9 CO 0.16 0.61 1.80 -0.44 -0.92 0.00 0.00 175.35 176.56 1xne h ASP 10 N 3.21 0.00 0.44 2.83 3.32 -2.01 1.37 116.42 125.58 1xne h ASP 10 Ca -0.46 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 1xne h ASP 10 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1xne h ASP 10 CO 0.74 0.00 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.72 1xne h GLU 11 N 0.00 -0.57 0.22 3.56 4.39 -2.00 0.41 114.58 120.59 1xne h GLU 11 Ca 0.37 0.04 -0.34 0.00 0.34 0.00 0.00 59.36 59.77 1xne h GLU 11 Cb 1.76 0.13 0.02 0.00 -0.10 0.00 0.00 28.75 30.57 1xne h GLU 11 CO -0.00 -0.36 -1.61 1.88 -1.16 0.00 0.00 179.01 177.76 1xne h TYR 12 N -0.63 0.83 -0.25 4.33 0.05 -1.09 -3.34 116.97 116.86 1xne h TYR 12 Ca -0.06 -0.61 0.06 0.00 0.05 0.00 0.00 58.73 58.17 1xne h TYR 12 Cb 0.48 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 1xne h TYR 12 CO -0.04 1.60 -0.12 1.25 -1.05 0.00 0.00 178.16 179.80 1xne h LEU 13 N 0.12 -0.42 -0.96 3.88 5.85 0.16 -0.14 115.31 123.81 1xne h LEU 13 Ca -0.29 0.10 0.29 0.00 0.84 0.00 0.00 57.88 58.81 1xne h LEU 13 Cb 2.13 0.23 -0.15 0.00 0.37 0.00 0.00 40.66 43.24 1xne h LEU 13 CO 0.23 -0.16 0.45 -0.33 -0.34 0.00 0.00 178.44 178.29 1xne h GLU 14 N -0.09 0.29 -0.79 1.25 5.08 -1.03 1.02 114.58 120.30 1xne h GLU 14 Ca 0.13 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xne h GLU 14 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 1xne h GLU 14 CO -0.31 0.19 0.41 0.52 -1.00 0.00 0.00 179.01 178.82 1xne h MET 15 N 0.29 1.11 -0.38 2.33 2.86 -1.15 0.14 114.93 120.14 1xne h MET 15 Ca 0.67 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 58.01 1xne h MET 15 Cb 1.46 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 1xne h MET 15 CO -0.62 0.84 -0.38 0.28 1.06 0.00 0.00 176.91 178.08 1xne h VAL 16 N 1.11 1.27 -0.62 -2.22 2.07 0.13 -2.17 116.25 115.82 1xne h VAL 16 Ca 0.28 -1.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.18 1xne h VAL 16 Cb 0.07 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1xne h VAL 16 CO -0.04 0.52 0.17 0.11 0.02 0.00 0.00 177.57 178.35 1xne h LYS 17 N 0.75 0.96 0.00 1.57 1.79 -0.14 -1.40 116.57 120.09 1xne h LYS 17 Ca 0.06 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.29 1xne h LYS 17 Cb 0.98 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 1xne h LYS 17 CO 0.10 0.84 -0.18 0.66 -1.08 0.00 0.00 179.45 179.79 1xne h SER 18 N 0.92 0.00 0.00 0.86 4.64 -0.54 -3.46 113.55 115.97 1xne h SER 18 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1xne h SER 18 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1xne h SER 18 CO -0.00 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.75 1xne n GLY 19 N -0.77 2.51 0.38 -0.77 0.00 -0.53 -4.95 105.19 101.07 1xne n GLY 19 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.99 -0.36 -6.14 1.61 1.57 -1.70 -3.37 116.57 109.17 1xne h LYS 20 Ca 0.00 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.24 1xne h LYS 20 Cb 0.00 0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1xne h LYS 20 CO 0.00 -0.24 1.39 1.17 -0.57 0.00 0.00 179.45 181.20 1xne n LYS 21 N -5.42 2.34 0.00 3.15 0.00 -0.86 -4.71 118.16 112.66 1xne n LYS 21 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 58.31 59.04 1xne n LYS 21 Cb 0.35 -3.14 0.00 0.00 0.00 0.00 0.00 35.03 32.24 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 8.24 0.00 -3.89 1.64 3.00 -1.26 -4.70 116.66 119.69 1xne n ARG 22 Ca 0.26 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.76 1xne n ARG 22 Cb 0.43 -0.55 -0.14 0.00 0.00 0.00 0.00 32.46 32.20 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 -1.71 3.45 -0.25 5.15 1.01 -1.26 -2.30 121.20 125.29 1xne s ILE 23 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.10 1xne s ILE 23 Cb 0.00 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1xne s ILE 23 CO 0.00 0.41 0.07 -1.83 0.00 0.00 0.00 174.94 173.59 1xne s GLU 24 N 1.49 3.68 -0.12 2.79 -1.05 -0.91 -4.41 118.70 120.18 1xne s GLU 24 Ca 0.06 -0.46 -0.02 0.00 -0.15 0.00 0.00 54.97 54.39 1xne s GLU 24 Cb -0.14 -3.33 -0.03 0.00 -0.44 0.00 0.00 34.13 30.19 1xne s GLU 24 CO -0.03 -0.16 -0.03 0.54 0.95 0.00 0.00 175.26 176.53 1xne s VAL 25 N 1.54 3.99 -0.32 1.83 0.11 -1.26 -2.54 120.40 123.76 1xne s VAL 25 Ca 0.06 -0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1xne s VAL 25 Cb -0.15 -2.71 0.21 0.00 -1.53 0.00 0.00 36.38 32.20 1xne s VAL 25 CO 0.04 0.55 1.13 -0.60 -3.33 0.00 0.00 175.10 172.89 1xne s ARG 26 N -0.25 0.10 0.51 1.54 3.52 -1.25 -5.02 118.95 118.10 1xne s ARG 26 Ca 0.05 -0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 1xne s ARG 26 Cb -0.13 -0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1xne s ARG 26 CO 0.02 -0.13 0.00 1.55 -0.81 0.00 0.00 175.30 175.93 1xne n VAL 27 N 2.86 0.00 -3.42 7.11 3.14 -1.15 -4.57 118.33 122.30 1xne n VAL 27 Ca 0.09 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.20 1xne n VAL 27 Cb 0.65 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.34 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xne n ALA 28 N 0.08 2.88 -1.96 1.55 0.00 -1.26 -4.26 120.51 117.55 1xne n ALA 28 Ca 0.00 -3.31 -0.23 0.00 0.00 0.00 0.00 53.44 49.90 1xne n ALA 28 Cb 0.00 -0.79 0.05 0.00 0.00 0.00 0.00 19.45 18.71 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 -0.29 2.86 -2.00 0.00 1.51 -1.26 -4.68 117.35 113.49 1xne s TYR 29 Ca 0.33 0.16 0.23 0.00 -1.01 0.00 0.00 57.07 56.78 1xne s TYR 29 Cb 0.05 -2.94 1.38 0.00 -0.11 0.00 0.00 41.96 40.34 1xne s TYR 29 CO -0.18 -1.10 1.76 -0.35 -1.11 0.00 0.00 175.55 174.56 1xne n PRO 30 N -2.58 0.75 -0.06 -1.71 -0.04 -1.26 0.19 135.00 130.29 1xne n PRO 30 Ca 0.08 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.63 1xne n PRO 30 Cb 0.60 -1.48 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 1xne n PRO 30 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1xne n GLN 31 N -0.98 1.69 0.05 0.54 -0.06 -1.26 -4.39 117.38 112.96 1xne n GLN 31 Ca 0.17 -1.70 0.00 0.00 -2.00 0.00 0.00 57.00 53.47 1xne n GLN 31 Cb 0.08 -1.35 0.00 0.00 -4.06 0.00 0.00 30.24 24.91 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1xne n LEU 32 N 0.98 -0.35 -0.25 1.69 4.77 -0.83 -4.84 117.00 118.18 1xne n LEU 32 Ca 0.12 0.17 0.31 0.00 -0.03 0.00 0.00 56.01 56.57 1xne n LEU 32 Cb 0.45 0.47 0.72 0.00 -2.33 0.00 0.00 43.42 42.72 1xne n LEU 32 CO 0.11 -0.50 1.28 0.07 -1.33 0.00 0.00 177.39 177.03 1xne h LYS 33 N 0.00 0.03 -0.33 3.23 5.09 0.19 1.41 116.57 126.20 1xne h LYS 33 Ca 0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.70 1xne h LYS 33 Cb 0.00 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.31 1xne h LYS 33 CO 0.00 0.02 0.05 -0.44 -2.09 0.00 0.00 179.45 176.99 1xne h ASP 34 N 0.03 0.44 -2.80 7.07 3.32 -1.76 -3.44 116.42 119.28 1xne h ASP 34 Ca 0.49 -0.06 -0.55 0.00 0.02 0.00 0.00 57.03 56.93 1xne h ASP 34 Cb 1.91 -0.11 0.22 0.00 0.22 0.00 0.00 39.33 41.56 1xne h ASP 34 CO -0.02 0.47 -1.03 0.00 -1.72 0.00 0.00 179.24 176.93 1xne n ILE 35 N -4.33 0.29 -3.64 0.35 0.13 0.48 -5.00 119.36 107.63 1xne n ILE 35 Ca 0.02 -0.35 -0.03 0.00 -1.10 0.00 0.00 62.75 61.29 1xne n ILE 35 Cb 0.20 -0.39 -0.01 0.00 -0.84 0.00 0.00 39.64 38.60 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 -2.77 0.70 0.29 9.51 0.00 -1.26 -4.93 119.74 121.28 1xne s LYS 36 Ca 0.52 -0.35 -0.30 0.00 0.00 0.00 0.00 55.97 55.84 1xne s LYS 36 Cb -0.24 0.26 -0.13 0.00 0.00 0.00 0.00 37.83 37.73 1xne s LYS 36 CO 0.71 -0.32 1.41 -2.13 0.00 0.00 0.00 175.35 175.02 1xne n ARG 37 N -0.38 2.23 0.00 1.78 0.63 -1.26 -2.11 116.66 117.55 1xne n ARG 37 Ca -0.06 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.66 1xne n ARG 37 Cb 0.61 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1xne n ARG 37 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xne n GLY 38 N 1.58 2.76 0.75 5.14 0.00 -1.22 -5.03 105.19 109.16 1xne n GLY 38 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 0.06 -3.86 1.61 8.00 -0.90 -4.37 116.55 117.10 1xne n ASP 39 Ca 0.00 -1.12 -0.12 0.00 0.71 0.00 0.00 54.79 54.26 1xne n ASP 39 Cb 0.00 -0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 40.78 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 -3.45 0.05 -0.02 -1.24 2.20 0.69 -2.49 119.74 115.47 1xne s LYS 40 Ca 0.14 0.03 0.06 0.00 -0.36 0.00 0.00 55.97 55.85 1xne s LYS 40 Cb -0.00 0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 1xne s LYS 40 CO 0.10 -0.01 -0.21 0.42 -0.36 0.00 0.00 175.35 175.29 1xne s ILE 41 N -0.02 2.46 -0.15 5.43 1.01 0.41 -0.30 121.20 130.05 1xne s ILE 41 Ca -0.00 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1xne s ILE 41 Cb -0.00 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.57 1xne s ILE 41 CO 0.00 0.56 -0.18 -0.63 0.00 0.00 0.00 174.94 174.69 1xne s ILE 42 N -0.68 1.84 -0.29 2.92 -1.09 0.51 0.19 121.20 124.61 1xne s ILE 42 Ca 0.11 -0.83 -0.15 0.00 -2.23 0.00 0.00 60.65 57.56 1xne s ILE 42 Cb -0.10 -1.67 -0.03 0.00 -1.58 0.00 0.00 42.46 39.08 1xne s ILE 42 CO 0.00 0.51 0.36 -0.36 -1.23 0.00 0.00 174.94 174.22 1xne s PHE 43 N 1.14 3.23 -0.73 3.97 0.08 -0.44 0.17 117.98 125.40 1xne s PHE 43 Ca -0.01 0.28 0.00 0.00 0.12 0.00 0.00 56.93 57.32 1xne s PHE 43 Cb -0.14 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.71 1xne s PHE 43 CO -0.07 -0.28 0.00 0.09 -0.10 0.00 0.00 175.22 174.86 1xne n ASN 44 N 5.34 -4.98 -3.58 1.36 3.02 0.28 -2.79 115.26 113.91 1xne n ASN 44 Ca -0.09 0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.37 1xne n ASN 44 Cb 0.50 -3.09 0.05 0.00 -0.61 0.00 0.00 39.78 36.64 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 -0.57 -4.91 0.00 6.41 2.03 -1.26 -4.80 116.55 113.44 1xne n ASP 45 Ca -0.07 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.33 1xne n ASP 45 Cb 0.42 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.89 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 -3.97 0.00 -4.44 -2.67 7.94 -1.12 -5.07 117.00 107.67 1xne n LEU 46 Ca -0.12 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.36 1xne n LEU 46 Cb 0.61 0.40 -0.10 0.00 0.53 0.00 0.00 43.42 44.86 1xne n LEU 46 CO 0.65 -0.44 -0.10 -0.63 -1.11 0.00 0.00 177.39 175.76 1xne s ILE 47 N -1.87 5.02 0.60 1.96 1.01 -1.13 -4.97 121.20 121.81 1xne s ILE 47 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 60.65 59.80 1xne s ILE 47 Cb 0.00 -3.79 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1xne s ILE 47 CO 0.00 -0.27 1.05 -2.16 0.00 0.00 0.00 174.94 173.56 1xne s PRO 48 N 1.64 3.34 -0.03 2.79 0.04 -1.26 -1.33 135.00 140.20 1xne s PRO 48 Ca 0.04 1.14 -0.17 0.00 0.04 0.00 0.00 61.00 62.05 1xne s PRO 48 Cb -0.19 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1xne s PRO 48 CO 0.09 -0.78 0.36 0.00 0.04 0.00 0.00 177.00 176.70 1xne s ALA 49 N -2.55 -0.92 -0.09 8.56 0.00 0.51 -2.08 121.76 125.19 1xne s ALA 49 Ca 0.62 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.07 1xne s ALA 49 Cb -0.15 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1xne s ALA 49 CO 0.39 -0.27 -0.04 -2.00 0.00 0.00 0.00 175.76 173.84 1xne s GLU 50 N -1.21 2.98 -0.05 0.00 2.12 0.24 0.16 118.70 122.93 1xne s GLU 50 Ca -0.12 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 1xne s GLU 50 Cb -0.04 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1xne s GLU 50 CO 0.05 0.60 1.28 0.08 -0.54 0.00 0.00 175.26 176.73 1xne s VAL 51 N -0.63 4.06 -0.20 3.70 1.01 -1.04 0.11 120.40 127.41 1xne s VAL 51 Ca 0.10 1.39 -0.20 0.00 0.00 0.00 0.00 61.98 63.27 1xne s VAL 51 Cb -0.12 -3.90 -0.20 0.00 0.00 0.00 0.00 36.38 32.17 1xne s VAL 51 CO 0.02 -0.02 0.22 0.52 0.00 0.00 0.00 175.10 175.84 1xne n VAL 52 N 4.72 1.56 -3.61 2.92 0.31 0.39 -3.40 118.33 121.21 1xne n VAL 52 Ca 0.12 -0.09 -0.06 0.00 -0.01 0.00 0.00 64.34 64.31 1xne n VAL 52 Cb 0.45 -2.01 -0.05 0.00 -0.91 0.00 0.00 33.84 31.32 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 -2.38 0.31 -0.03 5.55 2.56 -0.33 -4.69 118.70 119.68 1xne s GLU 53 Ca -0.28 0.10 0.06 0.00 0.00 0.00 0.00 54.97 54.85 1xne s GLU 53 Cb 0.06 0.15 -0.01 0.00 2.00 0.00 0.00 34.13 36.32 1xne s GLU 53 CO 0.61 -0.09 -0.23 0.54 -0.56 0.00 0.00 175.26 175.53 1xne s VAL 54 N -0.96 1.82 -0.01 3.70 0.11 -1.26 0.12 120.40 123.92 1xne s VAL 54 Ca 0.04 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.13 1xne s VAL 54 Cb -0.01 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1xne s VAL 54 CO -0.04 0.51 -0.01 -0.54 -3.33 0.00 0.00 175.10 171.69 1xne s LYS 55 N -0.34 0.16 -0.01 1.54 1.02 -0.87 -5.00 119.74 116.24 1xne s LYS 55 Ca 0.03 -0.01 0.07 0.00 0.02 0.00 0.00 55.97 56.09 1xne s LYS 55 Cb -0.11 -0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 36.96 1xne s LYS 55 CO 0.01 -0.02 -0.24 0.21 -0.92 0.00 0.00 175.35 174.39 1xne s LYS 56 N 0.28 2.13 0.03 1.68 2.20 -1.26 -2.32 119.74 122.47 1xne s LYS 56 Ca -0.02 -0.92 0.00 0.00 -0.36 0.00 0.00 55.97 54.67 1xne s LYS 56 Cb -0.05 -2.09 -0.00 0.00 -1.51 0.00 0.00 37.83 34.18 1xne s LYS 56 CO -0.01 0.56 0.03 0.66 -0.36 0.00 0.00 175.35 176.24 1xne n TYR 57 N 2.28 -0.21 -3.95 4.03 4.01 -1.25 -5.05 117.16 117.02 1xne n TYR 57 Ca -0.16 -0.23 -0.09 0.00 -0.16 0.00 0.00 57.90 57.25 1xne n TYR 57 Cb 0.51 0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.57 1xne n TYR 57 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1xne n GLU 58 N -0.05 1.46 0.00 -0.72 0.28 -1.26 -4.74 120.64 115.60 1xne n GLU 58 Ca 0.00 -1.08 0.00 0.00 -0.16 0.00 0.00 57.16 55.92 1xne n GLU 58 Cb 0.05 0.22 0.00 0.00 1.43 0.00 0.00 31.44 33.14 1xne n GLU 58 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1xne n THR 59 N -0.61 0.00 -0.01 3.84 -2.24 -1.26 -4.30 114.28 109.69 1xne n THR 59 Ca -0.04 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 1xne n THR 59 Cb 0.19 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.41 1xne n THR 59 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1xne n PHE 60 N 0.00 0.00 -0.33 4.78 3.01 -1.26 -4.67 117.46 118.98 1xne n PHE 60 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.61 1xne n PHE 60 Cb 0.00 -0.10 0.37 0.00 -0.01 0.00 0.00 39.48 39.74 1xne n PHE 60 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 1xne h ARG 61 N -0.10 0.65 -0.19 -1.08 -0.00 -1.97 -0.67 114.38 111.02 1xne h ARG 61 Ca -0.07 -0.04 0.05 0.00 -0.00 0.00 0.00 59.98 59.92 1xne h ARG 61 Cb 1.07 -0.15 -0.07 0.00 -0.00 0.00 0.00 29.97 30.82 1xne h ARG 61 CO -0.04 0.43 -0.34 0.37 -0.00 0.00 0.00 179.97 180.39 1xne h GLN 62 N 0.67 -0.37 -0.22 0.08 5.75 -1.84 1.57 115.11 120.75 1xne h GLN 62 Ca 0.57 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 59.08 1xne h GLN 62 Cb 1.01 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1xne h GLN 62 CO -0.35 -0.25 0.06 0.28 -2.65 0.00 0.00 178.83 175.93 1xne h VAL 63 N -0.38 1.10 0.00 2.39 2.07 -1.35 0.62 116.25 120.70 1xne h VAL 63 Ca 0.11 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1xne h VAL 63 Cb 0.56 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1xne h VAL 63 CO -0.40 0.13 -0.06 -0.07 0.02 0.00 0.00 177.57 177.18 1xne h LEU 64 N 0.31 0.00 0.14 2.57 4.07 0.37 0.13 115.31 122.90 1xne h LEU 64 Ca 0.08 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.69 1xne h LEU 64 Cb 0.11 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.84 1xne h LEU 64 CO -0.01 0.06 -1.82 0.03 -1.08 0.00 0.00 178.44 175.63 1xne h ARG 65 N 0.00 0.29 0.21 1.13 2.47 0.50 -3.41 114.38 115.56 1xne h ARG 65 Ca -0.00 -0.50 -0.01 0.00 -1.26 0.00 0.00 59.98 58.21 1xne h ARG 65 Cb 0.83 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 1xne h ARG 65 CO 0.01 1.24 -0.10 0.93 0.56 0.00 0.00 179.97 182.61 1xne h GLU 66 N -0.02 -0.27 -6.26 0.04 4.39 0.11 -3.46 114.58 109.11 1xne h GLU 66 Ca -0.38 0.02 -0.57 0.00 0.34 0.00 0.00 59.36 58.77 1xne h GLU 66 Cb 1.98 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 30.66 1xne h GLU 66 CO 0.10 -0.18 -0.21 -1.21 -1.16 0.00 0.00 179.01 176.35 1xne s GLU 67 N -2.44 3.74 1.04 2.33 0.41 0.46 -5.08 118.70 119.17 1xne s GLU 67 Ca -0.04 0.14 -0.16 0.00 -0.41 0.00 0.00 54.97 54.50 1xne s GLU 67 Cb 0.00 -2.82 0.22 0.00 -1.78 0.00 0.00 34.13 29.76 1xne s GLU 67 CO 0.12 0.44 1.20 -1.25 -0.49 0.00 0.00 175.26 175.28 1xne s PRO 68 N -2.50 0.02 -0.09 0.39 0.04 -1.26 -4.18 135.00 127.43 1xne s PRO 68 Ca 0.41 -0.13 0.09 0.00 0.04 0.00 0.00 61.00 61.41 1xne s PRO 68 Cb -0.12 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 1xne s PRO 68 CO 0.22 -2.87 0.06 -0.89 0.04 0.00 0.00 177.00 173.55 1xne n ILE 69 N -4.15 0.59 -0.31 0.56 5.41 -1.26 -3.95 119.36 116.25 1xne n ILE 69 Ca 0.13 -0.40 -0.04 0.00 1.00 0.00 0.00 62.75 63.44 1xne n ILE 69 Cb 0.59 -0.62 0.08 0.00 -0.71 0.00 0.00 39.64 38.98 1xne n ILE 69 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1xne h ASP 70 N 0.00 0.99 0.17 4.38 3.58 -1.96 0.89 116.42 124.48 1xne h ASP 70 Ca -0.23 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.16 1xne h ASP 70 Cb 1.47 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.27 1xne h ASP 70 CO 0.01 0.75 -0.08 0.11 -2.88 0.00 0.00 179.24 177.15 1xne h LYS 71 N 1.15 -0.22 -0.84 0.28 1.57 -1.88 -3.13 116.57 113.50 1xne h LYS 71 Ca 0.31 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.27 1xne h LYS 71 Cb -0.08 0.05 -0.10 0.00 0.08 0.00 0.00 32.23 32.17 1xne h LYS 71 CO -0.06 0.13 0.39 0.82 -0.57 0.00 0.00 179.45 180.16 1xne h ILE 72 N -0.96 0.64 -3.31 1.86 2.04 -1.66 -3.38 117.51 112.74 1xne h ILE 72 Ca -0.02 -0.18 -0.40 0.00 1.00 0.00 0.00 64.86 65.26 1xne h ILE 72 Cb 0.46 0.08 -0.38 0.00 -0.74 0.00 0.00 36.82 36.24 1xne h ILE 72 CO 0.04 0.09 -0.75 -0.36 0.00 0.00 0.00 178.15 177.17 1xne s PHE 73 N -5.96 0.41 -0.15 1.37 0.08 0.31 -4.90 117.98 109.14 1xne s PHE 73 Ca -0.12 -0.00 0.28 0.00 0.12 0.00 0.00 56.93 57.21 1xne s PHE 73 Cb 0.22 -0.63 0.85 0.00 -0.57 0.00 0.00 43.02 42.89 1xne s PHE 73 CO 0.77 -0.25 1.79 -1.00 -0.10 0.00 0.00 175.22 176.44 1xne h PRO 74 N 8.17 0.00 -0.01 0.24 0.13 -1.74 -2.92 132.00 135.87 1xne h PRO 74 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1xne h PRO 74 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1xne h PRO 74 CO 0.26 0.02 0.05 -0.44 -0.23 0.00 0.00 178.00 177.66 1xne h ASP 75 N 0.00 0.00 -5.70 1.44 3.32 -1.89 -3.46 116.42 110.12 1xne h ASP 75 Ca -0.00 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 1xne h ASP 75 Cb 0.76 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.40 1xne h ASP 75 CO 0.00 0.00 -0.59 0.29 -1.72 0.00 0.00 179.24 177.23 1xne n LYS 76 N -3.23 -1.63 -0.82 3.56 5.02 -1.10 -4.99 118.16 114.96 1xne n LYS 76 Ca -0.03 1.00 -0.16 0.00 -2.02 0.00 0.00 58.31 57.10 1xne n LYS 76 Cb 0.12 -5.14 0.13 0.00 -0.02 0.00 0.00 35.03 30.12 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 -2.85 -1.45 -4.00 1.97 -0.04 -1.26 -5.07 135.00 122.30 1xne n PRO 77 Ca -0.07 -1.06 -0.29 0.00 -0.04 0.00 0.00 63.50 62.04 1xne n PRO 77 Cb 0.58 -0.84 -0.05 0.00 -0.04 0.00 0.00 33.50 33.15 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 -3.43 5.91 0.31 3.54 0.01 -1.26 -4.88 113.70 113.90 1xne s SER 78 Ca 0.41 0.08 0.09 0.00 1.31 0.00 0.00 55.95 57.83 1xne s SER 78 Cb -0.02 -1.69 0.88 0.00 0.21 0.00 0.00 66.02 65.40 1xne s SER 78 CO 0.30 0.13 1.69 0.15 0.41 0.00 0.00 173.24 175.92 1xne h PHE 79 N 2.86 0.81 -0.04 2.43 3.57 -1.98 1.43 116.94 126.02 1xne h PHE 79 Ca -0.47 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 60.90 1xne h PHE 79 Cb 1.17 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.72 1xne h PHE 79 CO 0.59 -0.07 -0.64 1.49 -2.23 0.00 0.00 178.31 177.45 1xne h GLU 80 N 0.41 0.50 0.21 1.11 4.57 -1.99 -2.88 114.58 116.51 1xne h GLU 80 Ca 0.64 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 1xne h GLU 80 Cb 1.30 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1xne h GLU 80 CO -0.55 1.13 -0.10 -0.22 -1.18 0.00 0.00 179.01 178.08 1xne h LYS 81 N 0.07 -0.27 -1.01 1.92 3.64 -1.08 -0.89 116.57 118.95 1xne h LYS 81 Ca -0.07 0.02 0.23 0.00 -1.27 0.00 0.00 60.65 59.56 1xne h LYS 81 Cb 1.32 0.06 -0.11 0.00 -0.41 0.00 0.00 32.23 33.09 1xne h LYS 81 CO 0.13 -0.13 0.61 0.00 -2.27 0.00 0.00 179.45 177.79 1xne h ALA 82 N 0.43 1.83 0.15 5.00 0.00 0.17 0.45 119.26 127.29 1xne h ALA 82 Ca -0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xne h ALA 82 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xne h ALA 82 CO 0.05 -0.27 -0.07 1.25 0.00 0.00 0.00 179.25 180.21 1xne h LEU 83 N 0.60 -0.17 -0.24 0.00 5.85 -1.16 0.28 115.31 120.47 1xne h LEU 83 Ca 0.62 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 59.24 1xne h LEU 83 Cb 1.17 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 1xne h LEU 83 CO -0.42 0.04 -0.06 0.50 -0.34 0.00 0.00 178.44 178.16 1xne h LYS 84 N -0.39 -0.01 -0.64 1.25 3.64 0.63 0.84 116.57 121.90 1xne h LYS 84 Ca -0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1xne h LYS 84 Cb 0.31 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 1xne h LYS 84 CO 0.03 -0.00 0.38 0.00 -2.27 0.00 0.00 179.45 177.59 1xne h ARG 85 N -0.01 0.72 0.00 1.90 3.08 -0.12 0.14 114.38 120.09 1xne h ARG 85 Ca 0.12 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1xne h ARG 85 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1xne h ARG 85 CO -0.25 0.48 0.00 1.19 -1.07 0.00 0.00 179.97 180.31 1xne n PHE 86 N -4.74 0.55 -1.40 3.04 3.72 0.97 -0.37 117.46 119.24 1xne n PHE 86 Ca 0.07 0.23 0.05 0.00 -0.05 0.00 0.00 57.45 57.75 1xne n PHE 86 Cb 0.11 -0.88 0.19 0.00 -0.94 0.00 0.00 39.48 37.96 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 -2.02 0.30 0.04 1.38 8.25 0.35 -4.63 115.22 118.90 1xne n HIS 87 Ca 0.02 -1.35 0.00 0.00 -0.26 0.00 0.00 57.72 56.12 1xne n HIS 87 Cb 0.16 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.15 -0.29 -0.49 0.41 2.85 -0.35 -4.97 115.26 111.27 1xne n ASN 88 Ca 0.21 0.15 0.05 0.00 -0.11 0.00 0.00 54.58 54.88 1xne n ASN 88 Cb 0.77 0.40 -0.01 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 -2.74 -0.67 -1.44 1.20 2.81 0.50 -4.66 117.12 112.13 1xne n MET 89 Ca 0.00 0.44 -0.41 0.00 -1.81 0.00 0.00 57.70 55.92 1xne n MET 89 Cb 0.00 -0.82 0.01 0.00 -0.71 0.00 0.00 33.22 31.71 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 -1.47 -0.75 -0.03 2.03 4.01 -1.26 -4.92 117.16 114.77 1xne n TYR 90 Ca 0.00 0.57 -0.13 0.00 -0.16 0.00 0.00 57.90 58.18 1xne n TYR 90 Cb 0.15 -1.96 -0.11 0.00 -0.31 0.00 0.00 39.34 37.12 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 0.63 -0.02 0.00 -0.72 0.13 -1.88 -3.46 132.00 126.69 1xne h PRO 91 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1xne h PRO 91 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1xne h PRO 91 CO 0.50 0.70 0.00 1.17 -0.23 0.00 0.00 178.00 180.14 1xne n LYS 92 N -4.74 0.00 -3.00 0.86 4.81 -1.26 -3.25 118.16 111.57 1xne n LYS 92 Ca -0.09 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.91 1xne n LYS 92 Cb 0.36 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.41 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 0.00 4.90 -2.09 5.64 -0.00 -1.26 -4.78 117.44 119.85 1xne n TRP 93 Ca 0.00 -3.44 0.00 0.00 -0.00 0.00 0.00 57.50 54.06 1xne n TRP 93 Cb 0.00 -2.06 0.00 0.00 -0.00 0.00 0.00 31.31 29.25 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 4.83 -5.28 0.00 5.87 4.81 -1.20 -5.08 118.16 122.11 1xne n LYS 94 Ca 0.34 3.78 0.00 0.00 -0.87 0.00 0.00 58.31 61.56 1xne n LYS 94 Cb 0.41 -4.24 0.00 0.00 0.02 0.00 0.00 35.03 31.23 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 1.81 0.00 0.01 1.64 4.07 -1.25 -5.08 120.64 121.84 1xne n GLU 95 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xne n GLU 95 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1xne n GLU 95 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1xne n TYR 96 N 0.00 -0.06 -1.27 4.31 4.01 -1.26 -4.83 117.16 118.06 1xne n TYR 96 Ca 0.00 0.01 -0.39 0.00 -0.16 0.00 0.00 57.90 57.36 1xne n TYR 96 Cb 0.00 0.08 0.01 0.00 -0.31 0.00 0.00 39.34 39.13 1xne n TYR 96 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1xne n ARG 97 N -3.00 0.07 0.09 -0.72 1.74 -1.26 -4.60 116.66 108.99 1xne n ARG 97 Ca 0.00 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1xne n ARG 97 Cb 0.36 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 1xne n ARG 97 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1xne n TYR 98 N -1.54 -1.22 0.00 -1.55 4.19 -1.26 -5.04 117.16 110.73 1xne n TYR 98 Ca 0.08 0.22 0.00 0.00 3.31 0.00 0.00 57.90 61.51 1xne n TYR 98 Cb 0.47 0.29 0.00 0.00 0.49 0.00 0.00 39.34 40.59 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xne n GLY 99 N 2.52 0.20 3.14 2.98 0.00 -1.26 -2.92 105.19 109.85 1xne n GLY 99 Ca 0.00 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.94 1xne n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xne s VAL 100 N 0.00 -0.74 -0.18 1.61 0.11 -1.26 -4.81 120.40 115.12 1xne s VAL 100 Ca 0.00 0.00 -0.20 0.00 -2.93 0.00 0.00 61.98 58.85 1xne s VAL 100 Cb 0.00 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.29 1xne s VAL 100 CO 0.00 0.00 0.55 -0.22 -3.33 0.00 0.00 175.10 172.10 1xne s LEU 101 N 2.70 -0.09 -0.21 2.54 1.98 -1.26 -3.91 118.68 120.43 1xne s LEU 101 Ca 0.16 1.02 -0.03 0.00 -2.89 0.00 0.00 54.13 52.39 1xne s LEU 101 Cb -0.06 1.90 0.07 0.00 0.66 0.00 0.00 46.19 48.76 1xne s LEU 101 CO -0.22 -0.24 0.06 0.00 -1.89 0.00 0.00 176.35 174.05 1xne s ALA 102 N 0.08 0.94 -0.18 5.97 0.00 -0.98 -3.78 121.76 123.81 1xne s ALA 102 Ca -0.02 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 1xne s ALA 102 Cb -0.04 -1.22 -0.05 0.00 0.00 0.00 0.00 23.12 21.82 1xne s ALA 102 CO 0.02 -1.26 0.11 0.42 0.00 0.00 0.00 175.76 175.05 1xne s ILE 103 N 1.89 5.21 -0.31 0.00 1.01 -1.05 -2.05 121.20 125.90 1xne s ILE 103 Ca 0.01 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.68 1xne s ILE 103 Cb -0.17 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 1xne s ILE 103 CO -0.12 0.48 0.16 -0.54 0.00 0.00 0.00 174.94 174.93 1xne s LYS 104 N 0.09 3.43 0.09 2.79 1.02 0.33 -2.14 119.74 125.35 1xne s LYS 104 Ca 0.08 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.46 1xne s LYS 104 Cb -0.12 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1xne s LYS 104 CO -0.00 -0.39 -0.13 -0.59 -0.92 0.00 0.00 175.35 173.32 1xne s PHE 105 N 1.64 1.23 -0.20 3.18 -0.12 -0.97 0.15 117.98 122.89 1xne s PHE 105 Ca 0.05 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.40 1xne s PHE 105 Cb -0.17 -0.67 0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1xne s PHE 105 CO 0.07 0.07 -0.15 0.50 -0.05 0.00 0.00 175.22 175.66 1xne s ARG 106 N -2.32 2.52 0.30 1.99 6.06 0.31 -4.72 118.95 123.09 1xne s ARG 106 Ca 0.03 -0.95 -0.30 0.00 -2.50 0.00 0.00 55.73 52.02 1xne s ARG 106 Cb -0.06 -2.58 -0.11 0.00 0.06 0.00 0.00 34.95 32.26 1xne s ARG 106 CO 0.02 -0.36 1.56 0.54 -2.50 0.00 0.00 175.30 174.57 1xne s VAL 107 N 1.28 2.14 -0.84 7.11 0.11 -1.26 -0.59 120.40 128.34 1xne s VAL 107 Ca -0.00 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.03 1xne s VAL 107 Cb -0.16 -3.07 0.22 0.00 -1.53 0.00 0.00 36.38 31.84 1xne s VAL 107 CO -0.10 0.02 0.79 -0.76 -3.33 0.00 0.00 175.10 171.72 1xne s LEU 108 N -0.69 6.69 0.00 2.54 1.43 -0.88 -4.62 118.68 123.14 1xne s LEU 108 Ca 0.61 -2.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.02 1xne s LEU 108 Cb -0.47 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.53 1xne s LEU 108 CO 0.49 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 177.10 1xne n GLY 109 N 3.99 -2.20 3.45 -3.19 0.00 -1.26 -4.68 105.19 101.31 1xne n GLY 109 Ca 0.15 0.75 -0.33 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.25 -1.34 1.61 0.63 -1.26 -4.96 116.66 111.09 1xne n ARG 110 Ca 0.00 -0.03 -0.29 0.00 -0.92 0.00 0.00 57.85 56.61 1xne n ARG 110 Cb 0.00 -1.93 0.15 0.00 0.45 0.00 0.00 32.46 31.13 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 -2.04 3.21 0.48 6.15 -4.77 -1.26 -5.03 116.67 113.41 1xne s ASP 111 Ca 0.59 1.16 0.07 0.00 -3.30 0.00 0.00 52.55 51.08 1xne s ASP 111 Cb -0.23 -1.81 0.02 0.00 -1.09 0.00 0.00 42.92 39.81 1xne s ASP 111 CO 0.65 -2.76 0.47 -0.54 0.70 0.00 0.00 175.17 173.69 1xne s LYS 112 N -5.09 2.44 0.00 2.11 1.02 -1.26 -5.08 119.74 113.89 1xne s LYS 112 Ca 0.64 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1xne s LYS 112 Cb -0.17 -2.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1xne s LYS 112 CO 0.56 -0.43 0.15 -1.91 -0.92 0.00 0.00 175.35 172.79