#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 2.90 -0.09 3.17 2.47 -1.26 -4.77 119.74 122.16 1xne s LYS 2 Ca 0.00 1.09 0.01 0.00 -1.56 0.00 0.00 55.97 55.51 1xne s LYS 2 Cb 0.00 -1.98 0.02 0.00 -1.46 0.00 0.00 37.83 34.41 1xne s LYS 2 CO 0.00 -1.13 -0.12 0.08 0.16 0.00 0.00 175.35 174.33 1xne s VAL 3 N -2.82 1.26 -0.39 4.02 1.01 -1.25 0.20 120.40 122.43 1xne s VAL 3 Ca 0.61 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1xne s VAL 3 Cb -0.16 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.14 1xne s VAL 3 CO 0.50 0.39 0.19 -0.31 0.00 0.00 0.00 175.10 175.86 1xne s TYR 4 N 1.02 3.48 -0.61 5.22 1.51 0.39 -4.94 117.35 123.41 1xne s TYR 4 Ca -0.07 -2.13 -0.27 0.00 -1.01 0.00 0.00 57.07 53.58 1xne s TYR 4 Cb -0.15 -3.00 0.03 0.00 -0.11 0.00 0.00 41.96 38.74 1xne s TYR 4 CO -0.01 -0.92 1.17 1.03 -1.11 0.00 0.00 175.55 175.71 1xne s ARG 5 N 1.22 3.41 -0.24 -0.62 0.52 -1.26 0.74 118.95 122.72 1xne s ARG 5 Ca 0.05 0.04 -0.08 0.00 -0.52 0.00 0.00 55.73 55.22 1xne s ARG 5 Cb -0.22 -4.06 -0.03 0.00 0.52 0.00 0.00 34.95 31.15 1xne s ARG 5 CO -0.02 -1.76 0.09 -0.51 0.02 0.00 0.00 175.30 173.11 1xne s LEU 6 N 4.96 3.59 -0.29 2.53 1.43 0.50 -4.93 118.68 126.48 1xne s LEU 6 Ca 0.39 -0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.09 1xne s LEU 6 Cb -0.09 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1xne s LEU 6 CO 0.22 -0.01 0.95 -0.31 0.23 0.00 0.00 176.35 177.43 1xne s TYR 7 N 1.45 3.23 0.48 0.29 1.51 -1.26 0.58 117.35 123.63 1xne s TYR 7 Ca 0.06 1.13 0.02 0.00 -1.01 0.00 0.00 57.07 57.27 1xne s TYR 7 Cb -0.15 -3.37 -0.01 0.00 -0.11 0.00 0.00 41.96 38.31 1xne s TYR 7 CO 0.05 -0.60 0.05 -0.51 -1.11 0.00 0.00 175.55 173.43 1xne s LEU 8 N 3.24 2.16 0.36 -1.29 1.02 -1.26 -4.85 118.68 118.06 1xne s LEU 8 Ca 0.40 -1.69 0.04 0.00 0.02 0.00 0.00 54.13 52.90 1xne s LEU 8 Cb -0.14 -0.48 -0.01 0.00 0.02 0.00 0.00 46.19 45.58 1xne s LEU 8 CO 0.11 -0.91 0.53 -0.75 0.02 0.00 0.00 176.35 175.35 1xne s LYS 9 N -3.81 3.14 0.26 1.70 2.20 -1.26 -4.72 119.74 117.25 1xne s LYS 9 Ca 0.11 -0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 1xne s LYS 9 Cb 0.01 -2.74 0.33 0.00 -1.51 0.00 0.00 37.83 33.92 1xne s LYS 9 CO 0.07 -0.01 1.78 0.22 -0.36 0.00 0.00 175.35 177.05 1xne h ASP 10 N 0.75 0.83 -0.17 1.43 3.58 -2.01 1.52 116.42 122.35 1xne h ASP 10 Ca -0.47 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 56.81 1xne h ASP 10 Cb 1.25 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 1xne h ASP 10 CO 0.55 0.83 0.07 -0.33 -2.88 0.00 0.00 179.24 177.48 1xne h GLU 11 N 0.84 0.25 -0.04 0.28 4.39 -1.99 0.40 114.58 118.71 1xne h GLU 11 Ca 0.18 -0.05 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 1xne h GLU 11 Cb 0.36 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1xne h GLU 11 CO 0.01 0.34 -0.60 1.88 -1.16 0.00 0.00 179.01 179.47 1xne h TYR 12 N 0.11 0.68 -0.30 4.33 0.05 -1.89 -3.24 116.97 116.72 1xne h TYR 12 Ca 0.06 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.51 1xne h TYR 12 Cb 0.18 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 1xne h TYR 12 CO -0.01 1.15 0.16 1.25 -1.05 0.00 0.00 178.16 179.66 1xne h LEU 13 N 0.02 0.25 -0.83 3.88 5.85 0.22 -2.17 115.31 122.54 1xne h LEU 13 Ca -0.06 0.01 0.20 0.00 0.84 0.00 0.00 57.88 58.86 1xne h LEU 13 Cb 1.28 -0.05 -0.15 0.00 0.37 0.00 0.00 40.66 42.12 1xne h LEU 13 CO 0.12 0.19 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.07 1xne h GLU 14 N 0.33 0.07 -0.72 1.25 5.08 -0.25 0.56 114.58 120.91 1xne h GLU 14 Ca 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xne h GLU 14 Cb 0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1xne h GLU 14 CO -0.07 0.05 0.46 0.52 -1.00 0.00 0.00 179.01 178.97 1xne h MET 15 N 0.08 0.95 -0.46 2.33 2.86 -1.42 -1.29 114.93 117.98 1xne h MET 15 Ca 0.46 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 58.06 1xne h MET 15 Cb 0.84 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1xne h MET 15 CO -0.75 0.65 0.25 0.28 1.06 0.00 0.00 176.91 178.40 1xne h VAL 16 N 0.97 1.02 -0.86 -2.22 2.07 0.39 -1.26 116.25 116.36 1xne h VAL 16 Ca 0.26 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1xne h VAL 16 Cb -0.08 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.09 1xne h VAL 16 CO -0.05 0.09 0.55 0.50 0.02 0.00 0.00 177.57 178.68 1xne h LYS 17 N 0.51 1.01 -0.20 1.57 3.64 -0.37 0.45 116.57 123.18 1xne h LYS 17 Ca 0.19 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1xne h LYS 17 Cb 0.05 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1xne h LYS 17 CO -0.11 0.67 0.14 0.66 -2.27 0.00 0.00 179.45 178.54 1xne h SER 18 N 1.04 0.13 0.00 4.20 4.64 -0.14 -3.46 113.55 119.96 1xne h SER 18 Ca 0.36 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1xne h SER 18 Cb 0.07 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xne h SER 18 CO -0.14 0.09 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 1xne n GLY 19 N -1.54 2.90 0.26 -0.77 0.00 0.15 -4.95 105.19 101.25 1xne n GLY 19 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 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 1.65 0.10 -6.26 1.61 1.57 -1.74 -3.37 116.57 110.13 1xne h LYS 20 Ca 0.00 -0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 58.22 1xne h LYS 20 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xne h LYS 20 CO 0.00 0.07 1.14 0.21 -0.57 0.00 0.00 179.45 180.30 1xne s LYS 21 N -6.13 4.04 0.00 3.15 2.20 -1.23 -4.64 119.74 117.14 1xne s LYS 21 Ca -0.13 2.15 0.00 0.00 -0.36 0.00 0.00 55.97 57.63 1xne s LYS 21 Cb 0.21 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 1xne s LYS 21 CO 0.75 -1.02 0.00 0.54 -0.36 0.00 0.00 175.35 175.26 1xne n ARG 22 N 7.39 0.00 -4.02 4.03 5.12 -1.25 -4.84 116.66 123.08 1xne n ARG 22 Ca 0.19 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.77 1xne n ARG 22 Cb 0.43 -0.33 -0.15 0.00 -1.16 0.00 0.00 32.46 31.26 1xne n ARG 22 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xne s ILE 23 N -1.66 2.47 -0.30 0.55 1.09 -1.26 -2.18 121.20 119.90 1xne s ILE 23 Ca 0.00 -1.34 -0.07 0.00 -1.10 0.00 0.00 60.65 58.14 1xne s ILE 23 Cb 0.00 -2.34 0.01 0.00 -1.06 0.00 0.00 42.46 39.08 1xne s ILE 23 CO 0.00 0.10 0.09 -1.83 -0.10 0.00 0.00 174.94 173.20 1xne s GLU 24 N 1.21 3.00 -0.08 2.79 1.03 -1.10 -4.17 118.70 121.38 1xne s GLU 24 Ca -0.04 -0.92 -0.04 0.00 0.03 0.00 0.00 54.97 54.00 1xne s GLU 24 Cb -0.18 -3.40 -0.04 0.00 -0.80 0.00 0.00 34.13 29.71 1xne s GLU 24 CO -0.05 -0.49 0.10 0.14 -1.33 0.00 0.00 175.26 173.63 1xne s VAL 25 N 1.48 5.08 0.33 1.83 -7.23 -1.26 -3.51 120.40 117.12 1xne s VAL 25 Ca 0.02 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.14 1xne s VAL 25 Cb -0.18 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1xne s VAL 25 CO 0.03 0.54 0.00 -1.14 -0.31 0.00 0.00 175.10 174.21 1xne n ARG 26 N 1.76 0.00 -3.62 4.82 0.63 -1.25 -5.02 116.66 113.98 1xne n ARG 26 Ca -0.17 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.70 1xne n ARG 26 Cb 0.54 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.40 1xne n ARG 26 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1xne s VAL 27 N -1.91 0.00 -0.77 5.15 0.11 -1.26 -4.49 120.40 117.22 1xne s VAL 27 Ca 0.00 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1xne s VAL 27 Cb 0.00 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1xne s VAL 27 CO 0.00 0.00 2.72 0.00 -3.33 0.00 0.00 175.10 174.49 1xne n ALA 28 N 0.60 6.63 -1.00 1.54 0.00 -1.26 -4.75 120.51 122.26 1xne n ALA 28 Ca -0.04 -3.34 -0.35 0.00 0.00 0.00 0.00 53.44 49.71 1xne n ALA 28 Cb 0.58 -2.44 0.07 0.00 0.00 0.00 0.00 19.45 17.66 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 1.43 -3.26 0.56 0.00 4.02 -1.26 -4.26 117.16 114.38 1xne n TYR 29 Ca 0.55 0.15 0.12 0.00 -0.01 0.00 0.00 57.90 58.70 1xne n TYR 29 Cb 0.46 -1.63 0.45 0.00 -0.02 0.00 0.00 39.34 38.60 1xne n TYR 29 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1xne n PRO 30 N 0.70 0.19 0.00 -0.72 -0.04 -1.26 0.10 135.00 133.97 1xne n PRO 30 Ca 0.03 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1xne n PRO 30 Cb 0.54 -1.78 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.11 1.53 0.01 0.54 0.00 -1.26 -4.28 117.38 111.81 1xne n GLN 31 Ca 0.04 -1.31 -0.02 0.00 -0.00 0.00 0.00 57.00 55.71 1xne n GLN 31 Cb 0.32 -1.33 -0.01 0.00 0.00 0.00 0.00 30.24 29.22 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 0.62 0.60 -0.38 1.69 4.77 -0.98 -4.67 117.00 118.66 1xne n LEU 32 Ca 0.09 0.08 0.29 0.00 -0.03 0.00 0.00 56.01 56.45 1xne n LEU 32 Cb 0.41 -0.20 0.58 0.00 -2.33 0.00 0.00 43.42 41.88 1xne n LEU 32 CO 0.15 -0.28 1.23 0.07 -1.33 0.00 0.00 177.39 177.23 1xne h LYS 33 N -0.09 0.23 -0.95 3.23 5.09 0.53 1.51 116.57 126.12 1xne h LYS 33 Ca -0.04 -0.01 0.20 0.00 0.09 0.00 0.00 60.65 60.89 1xne h LYS 33 Cb 0.64 -0.05 -0.08 0.00 0.10 0.00 0.00 32.23 32.84 1xne h LYS 33 CO -0.02 0.15 0.61 0.22 -2.09 0.00 0.00 179.45 178.32 1xne h ASP 34 N 0.24 0.53 -2.13 7.07 3.58 -1.74 -3.42 116.42 120.54 1xne h ASP 34 Ca 0.70 0.06 -0.57 0.00 0.42 0.00 0.00 57.03 57.64 1xne h ASP 34 Cb 2.01 -0.04 0.21 0.00 1.72 0.00 0.00 39.33 43.23 1xne h ASP 34 CO -0.35 0.20 -1.46 0.00 -2.88 0.00 0.00 179.24 174.75 1xne n ILE 35 N -4.59 0.12 -3.78 2.25 0.13 0.52 -4.99 119.36 109.02 1xne n ILE 35 Ca 0.21 -0.48 -0.03 0.00 -1.10 0.00 0.00 62.75 61.34 1xne n ILE 35 Cb 0.67 -0.07 -0.01 0.00 -0.84 0.00 0.00 39.64 39.39 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 -1.75 1.22 0.24 9.51 -2.85 -1.26 -4.94 119.74 119.90 1xne s LYS 36 Ca 0.48 -0.71 -0.31 0.00 -1.00 0.00 0.00 55.97 54.44 1xne s LYS 36 Cb -0.31 0.39 -0.12 0.00 -2.06 0.00 0.00 37.83 35.74 1xne s LYS 36 CO 0.75 -0.56 1.63 -2.13 0.10 0.00 0.00 175.35 175.13 1xne n ARG 37 N -0.52 2.62 0.00 1.78 0.63 -1.26 -2.11 116.66 117.79 1xne n ARG 37 Ca -0.06 0.94 0.00 0.00 -0.92 0.00 0.00 57.85 57.81 1xne n ARG 37 Cb 0.60 -2.73 0.00 0.00 0.45 0.00 0.00 32.46 30.78 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 3.02 2.72 1.81 5.14 0.00 -1.15 -5.01 105.19 111.73 1xne n GLY 38 Ca 0.13 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 0.37 -3.21 -3.97 1.61 9.92 -0.90 -4.62 116.55 115.75 1xne n ASP 39 Ca 0.00 -0.49 -0.12 0.00 -0.53 0.00 0.00 54.79 53.65 1xne n ASP 39 Cb 0.00 -0.56 -0.12 0.00 -0.64 0.00 0.00 41.12 39.79 1xne n ASP 39 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xne s LYS 40 N -4.11 0.29 -0.11 -1.24 2.20 0.54 -2.78 119.74 114.52 1xne s LYS 40 Ca 0.37 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 1xne s LYS 40 Cb -0.07 -0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.19 1xne s LYS 40 CO 0.31 0.01 -0.17 0.42 -0.36 0.00 0.00 175.35 175.56 1xne s ILE 41 N -0.86 1.60 -0.25 5.43 1.01 0.29 0.15 121.20 128.56 1xne s ILE 41 Ca -0.08 -0.71 -0.06 0.00 0.00 0.00 0.00 60.65 59.80 1xne s ILE 41 Cb -0.06 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1xne s ILE 41 CO -0.00 0.46 0.03 -0.63 0.00 0.00 0.00 174.94 174.80 1xne s ILE 42 N 0.87 3.88 -0.24 2.92 -1.09 0.23 0.18 121.20 127.95 1xne s ILE 42 Ca -0.09 -0.45 -0.16 0.00 -2.23 0.00 0.00 60.65 57.73 1xne s ILE 42 Cb -0.15 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1xne s ILE 42 CO -0.00 0.28 0.41 -0.36 -1.23 0.00 0.00 174.94 174.04 1xne s PHE 43 N 1.53 3.30 -2.00 3.97 0.40 -0.15 0.19 117.98 125.21 1xne s PHE 43 Ca 0.05 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1xne s PHE 43 Cb -0.15 -2.58 0.00 0.00 0.51 0.00 0.00 43.02 40.80 1xne s PHE 43 CO 0.01 -0.15 0.00 0.09 0.70 0.00 0.00 175.22 175.87 1xne n ASN 44 N 5.01 -5.53 -3.54 1.36 4.13 0.20 -2.74 115.26 114.16 1xne n ASN 44 Ca -0.08 0.47 -0.19 0.00 1.68 0.00 0.00 54.58 56.46 1xne n ASN 44 Cb 0.51 -4.69 0.01 0.00 -1.54 0.00 0.00 39.78 34.07 1xne n ASN 44 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1xne n ASP 45 N -1.30 -5.91 0.00 6.41 -0.08 -1.26 -4.78 116.55 109.63 1xne n ASP 45 Ca -0.19 -0.70 0.00 0.00 -1.51 0.00 0.00 54.79 52.39 1xne n ASP 45 Cb 0.66 -3.26 0.00 0.00 2.34 0.00 0.00 41.12 40.86 1xne n ASP 45 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1xne n LEU 46 N -2.79 0.00 -4.42 -2.67 7.94 -1.11 -5.09 117.00 108.86 1xne n LEU 46 Ca -0.16 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.33 1xne n LEU 46 Cb 0.60 0.26 -0.11 0.00 0.53 0.00 0.00 43.42 44.71 1xne n LEU 46 CO 0.61 -0.26 -0.12 -0.63 -1.11 0.00 0.00 177.39 175.88 1xne s ILE 47 N -1.95 4.90 0.69 1.96 1.01 -1.12 -4.97 121.20 121.72 1xne s ILE 47 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.84 1xne s ILE 47 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1xne s ILE 47 CO 0.00 -0.23 1.06 -2.16 0.00 0.00 0.00 174.94 173.61 1xne s PRO 48 N 1.62 2.98 0.05 2.79 0.04 -1.26 -0.98 135.00 140.24 1xne s PRO 48 Ca 0.04 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 61.90 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 0.08 -1.07 0.34 0.00 0.04 0.00 0.00 177.00 176.40 1xne s ALA 49 N -3.00 -0.79 0.04 8.56 0.00 0.48 -1.82 121.76 125.23 1xne s ALA 49 Ca 0.58 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.70 1xne s ALA 49 Cb -0.14 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 1xne s ALA 49 CO 0.53 -0.44 -0.16 -2.00 0.00 0.00 0.00 175.76 173.69 1xne s GLU 50 N -2.63 2.16 -0.35 0.00 2.12 -0.17 0.10 118.70 119.94 1xne s GLU 50 Ca -0.04 -0.94 -0.28 0.00 0.36 0.00 0.00 54.97 54.07 1xne s GLU 50 Cb -0.01 -2.25 0.02 0.00 0.26 0.00 0.00 34.13 32.16 1xne s GLU 50 CO -0.04 0.55 1.03 0.08 -0.54 0.00 0.00 175.26 176.34 1xne s VAL 51 N -0.94 4.51 -0.15 3.70 1.01 -1.12 0.16 120.40 127.57 1xne s VAL 51 Ca 0.15 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.38 1xne s VAL 51 Cb -0.11 -4.40 -0.25 0.00 0.00 0.00 0.00 36.38 31.62 1xne s VAL 51 CO 0.06 -0.55 0.64 0.58 0.00 0.00 0.00 175.10 175.83 1xne h VAL 52 N 5.81 1.55 -1.38 2.92 2.07 -1.09 -3.05 116.25 123.07 1xne h VAL 52 Ca -0.22 -2.32 0.14 0.00 0.82 0.00 0.00 66.70 65.12 1xne h VAL 52 Cb 1.07 3.08 -0.25 0.00 -1.52 0.00 0.00 31.29 33.67 1xne h VAL 52 CO 1.02 0.55 0.69 -0.70 0.02 0.00 0.00 177.57 179.15 1xne s GLU 53 N -2.27 0.40 -0.03 1.57 2.56 -0.73 -4.72 118.70 115.47 1xne s GLU 53 Ca -0.21 0.10 0.06 0.00 0.00 0.00 0.00 54.97 54.92 1xne s GLU 53 Cb -0.00 0.19 -0.01 0.00 2.00 0.00 0.00 34.13 36.30 1xne s GLU 53 CO 0.68 -0.12 -0.20 0.54 -0.56 0.00 0.00 175.26 175.59 1xne s VAL 54 N -1.05 1.64 0.17 3.70 0.11 -1.26 -0.56 120.40 123.15 1xne s VAL 54 Ca 0.02 -0.86 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1xne s VAL 54 Cb -0.01 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1xne s VAL 54 CO -0.02 0.46 0.08 -0.54 -3.33 0.00 0.00 175.10 171.75 1xne s LYS 55 N -0.28 1.07 0.12 1.54 -0.14 -1.05 -5.02 119.74 115.99 1xne s LYS 55 Ca 0.03 -1.54 0.06 0.00 -1.36 0.00 0.00 55.97 53.15 1xne s LYS 55 Cb -0.10 0.15 -0.04 0.00 -1.68 0.00 0.00 37.83 36.16 1xne s LYS 55 CO 0.01 -0.29 -0.13 0.21 -0.76 0.00 0.00 175.35 174.39 1xne s LYS 56 N -4.07 1.01 0.20 1.68 2.20 -1.26 -2.56 119.74 116.95 1xne s LYS 56 Ca 0.30 -1.25 -0.07 0.00 -0.36 0.00 0.00 55.97 54.59 1xne s LYS 56 Cb 0.07 -0.84 0.03 0.00 -1.51 0.00 0.00 37.83 35.58 1xne s LYS 56 CO 0.06 0.15 0.39 0.66 -0.36 0.00 0.00 175.35 176.26 1xne n TYR 57 N 0.46 -1.62 -4.48 4.03 4.01 -0.58 -4.95 117.16 114.03 1xne n TYR 57 Ca -0.15 -1.00 -0.23 0.00 -0.16 0.00 0.00 57.90 56.36 1xne n TYR 57 Cb 0.57 0.46 -0.11 0.00 -0.31 0.00 0.00 39.34 39.96 1xne n TYR 57 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1xne s GLU 58 N -2.09 1.67 0.78 -0.72 2.02 -1.26 -4.51 118.70 114.58 1xne s GLU 58 Ca 0.09 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.20 1xne s GLU 58 Cb -0.02 -1.24 0.00 0.00 0.10 0.00 0.00 34.13 32.96 1xne s GLU 58 CO 0.07 -0.01 0.00 0.25 0.02 0.00 0.00 175.26 175.59 1xne n THR 59 N -0.69 0.00 -0.08 3.63 -2.24 -1.26 -4.04 114.28 109.60 1xne n THR 59 Ca -0.05 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.60 1xne n THR 59 Cb 0.65 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.26 0.00 -0.35 4.78 3.72 -1.26 -4.43 117.46 119.66 1xne n PHE 60 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1xne n PHE 60 Cb 0.00 -0.57 0.31 0.00 -0.94 0.00 0.00 39.48 38.28 1xne n PHE 60 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1xne h ARG 61 N -0.25 0.77 0.18 -1.08 2.43 -1.96 0.79 114.38 115.26 1xne h ARG 61 Ca -0.37 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1xne h ARG 61 Cb 1.45 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1xne h ARG 61 CO -0.14 0.51 -0.17 0.37 -1.51 0.00 0.00 179.97 179.03 1xne h GLN 62 N 0.80 -0.37 -0.16 0.20 -0.00 -1.81 1.08 115.11 114.85 1xne h GLN 62 Ca 0.57 0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 59.16 1xne h GLN 62 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.39 1xne h GLN 62 CO -0.36 -0.25 -0.28 0.28 0.00 0.00 0.00 178.83 178.23 1xne h VAL 63 N -0.38 1.26 0.00 2.39 2.07 -1.33 0.30 116.25 120.56 1xne h VAL 63 Ca 0.00 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1xne h VAL 63 Cb 0.36 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1xne h VAL 63 CO -0.04 0.37 0.00 -0.07 0.02 0.00 0.00 177.57 177.85 1xne h LEU 64 N 0.26 0.00 0.09 2.57 4.07 0.13 0.78 115.31 123.21 1xne h LEU 64 Ca 0.04 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.65 1xne h LEU 64 Cb 0.63 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 1xne h LEU 64 CO 0.05 0.00 -1.96 0.54 -1.08 0.00 0.00 178.44 175.99 1xne n ARG 65 N -2.75 0.72 0.05 1.13 5.12 0.37 -4.45 116.66 116.84 1xne n ARG 65 Ca 0.03 0.29 -0.11 0.00 -1.93 0.00 0.00 57.85 56.13 1xne n ARG 65 Cb 0.37 -1.69 -0.08 0.00 -1.16 0.00 0.00 32.46 29.90 1xne n ARG 65 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1xne h GLU 66 N -0.10 -0.18 -6.19 5.56 4.39 -0.42 -3.46 114.58 114.18 1xne h GLU 66 Ca -0.44 0.01 -0.53 0.00 0.34 0.00 0.00 59.36 58.75 1xne h GLU 66 Cb 1.91 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.55 1xne h GLU 66 CO 0.02 0.27 -0.53 -1.21 -1.16 0.00 0.00 179.01 176.40 1xne s GLU 67 N -3.59 2.97 0.99 2.33 0.41 0.26 -5.08 118.70 116.98 1xne s GLU 67 Ca -0.14 -0.94 -0.15 0.00 -0.41 0.00 0.00 54.97 53.34 1xne s GLU 67 Cb 0.01 -2.64 0.18 0.00 -1.78 0.00 0.00 34.13 29.91 1xne s GLU 67 CO 0.52 0.44 1.17 -1.25 -0.49 0.00 0.00 175.26 175.65 1xne s PRO 68 N -3.53 0.50 -0.16 0.39 0.04 -1.26 -4.22 135.00 126.76 1xne s PRO 68 Ca 0.32 0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.49 1xne s PRO 68 Cb -0.09 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.51 1xne s PRO 68 CO 0.25 -2.58 -0.04 -0.89 0.04 0.00 0.00 177.00 173.77 1xne n ILE 69 N -3.99 1.02 0.19 0.56 5.41 -1.26 -3.83 119.36 117.46 1xne n ILE 69 Ca 0.10 -0.52 0.07 0.00 1.00 0.00 0.00 62.75 63.39 1xne n ILE 69 Cb 0.59 -0.85 0.58 0.00 -0.71 0.00 0.00 39.64 39.25 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 0.13 0.09 4.38 3.04 -1.95 1.36 116.42 123.48 1xne h ASP 70 Ca -0.40 -0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.24 1xne h ASP 70 Cb 1.78 -0.03 0.02 0.00 -1.04 0.00 0.00 39.33 40.06 1xne h ASP 70 CO -0.02 0.10 -0.62 0.11 -2.04 0.00 0.00 179.24 176.78 1xne h LYS 71 N 0.15 0.25 0.48 4.15 1.57 -1.82 -3.34 116.57 118.02 1xne h LYS 71 Ca 0.04 -0.40 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1xne h LYS 71 Cb -0.00 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1xne h LYS 71 CO -0.01 1.17 -0.23 0.82 -0.57 0.00 0.00 179.45 180.63 1xne h ILE 72 N -0.46 0.45 -3.23 1.86 2.04 -1.48 -3.34 117.51 113.36 1xne h ILE 72 Ca -0.10 -0.35 -0.68 0.00 1.00 0.00 0.00 64.86 64.73 1xne h ILE 72 Cb 1.46 0.60 -0.34 0.00 -0.74 0.00 0.00 36.82 37.80 1xne h ILE 72 CO 0.12 0.05 -0.87 -0.36 0.00 0.00 0.00 178.15 177.09 1xne s PHE 73 N -5.08 2.64 -0.06 1.37 0.40 0.46 -4.91 117.98 112.81 1xne s PHE 73 Ca -0.15 -1.29 0.23 0.00 -0.60 0.00 0.00 56.93 55.13 1xne s PHE 73 Cb 0.02 -1.79 0.67 0.00 0.51 0.00 0.00 43.02 42.43 1xne s PHE 73 CO 0.54 -0.57 1.72 -1.00 0.70 0.00 0.00 175.22 176.60 1xne h PRO 74 N 7.19 0.00 0.00 0.24 0.13 -1.78 -2.82 132.00 134.97 1xne h PRO 74 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1xne h PRO 74 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1xne h PRO 74 CO 0.54 0.21 0.00 -0.25 -0.23 0.00 0.00 178.00 178.27 1xne n ASP 75 N -3.25 0.48 -3.50 1.44 8.00 -1.26 -4.87 116.55 113.59 1xne n ASP 75 Ca 0.01 0.69 -0.21 0.00 0.71 0.00 0.00 54.79 55.99 1xne n ASP 75 Cb 0.50 -0.76 0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1xne n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1xne n LYS 76 N -2.10 -1.42 -1.17 -1.24 5.02 -1.06 -4.97 118.16 111.21 1xne n LYS 76 Ca -0.00 0.79 -0.24 0.00 -2.02 0.00 0.00 58.31 56.85 1xne n LYS 76 Cb 0.09 -4.42 0.18 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 -3.26 -1.86 -4.09 1.97 -0.04 -1.26 -5.07 135.00 121.39 1xne n PRO 77 Ca -0.10 -1.51 -0.26 0.00 -0.04 0.00 0.00 63.50 61.58 1xne n PRO 77 Cb 0.59 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.80 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 -4.37 5.48 0.33 3.54 0.01 -1.26 -4.89 113.70 112.54 1xne s SER 78 Ca 0.58 -0.15 0.11 0.00 1.31 0.00 0.00 55.95 57.80 1xne s SER 78 Cb -0.04 -1.42 0.96 0.00 0.21 0.00 0.00 66.02 65.74 1xne s SER 78 CO 0.43 0.06 1.70 0.15 0.41 0.00 0.00 173.24 175.99 1xne h PHE 79 N 2.38 0.96 -0.01 2.43 3.04 -1.98 1.38 116.94 125.14 1xne h PHE 79 Ca -0.48 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.48 1xne h PHE 79 Cb 1.20 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1xne h PHE 79 CO 0.58 -0.04 -0.11 1.49 -2.02 0.00 0.00 178.31 178.21 1xne h GLU 80 N 0.47 0.09 -0.67 1.11 4.57 -2.00 -2.92 114.58 115.23 1xne h GLU 80 Ca 0.68 -0.09 0.05 0.00 -1.18 0.00 0.00 59.36 58.82 1xne h GLU 80 Cb 1.40 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.97 1xne h GLU 80 CO -0.53 0.81 0.38 -0.22 -1.18 0.00 0.00 179.01 178.27 1xne h LYS 81 N -0.60 0.70 -0.91 1.92 3.64 -1.36 0.19 116.57 120.14 1xne h LYS 81 Ca -0.01 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1xne h LYS 81 Cb 0.85 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 1xne h LYS 81 CO 0.02 0.46 0.59 0.00 -2.27 0.00 0.00 179.45 178.25 1xne h ALA 82 N 1.33 1.66 -0.39 5.00 0.00 0.17 1.19 119.26 128.22 1xne h ALA 82 Ca 0.29 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 1xne h ALA 82 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1xne h ALA 82 CO -0.16 0.13 0.02 1.25 0.00 0.00 0.00 179.25 180.48 1xne h LEU 83 N 0.86 0.66 0.55 0.00 6.46 -0.81 -1.50 115.31 121.53 1xne h LEU 83 Ca 0.44 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1xne h LEU 83 Cb 0.50 -0.18 0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1xne h LEU 83 CO -0.20 0.79 -0.26 0.50 -0.62 0.00 0.00 178.44 178.64 1xne h LYS 84 N 0.50 -0.71 -0.92 1.25 1.63 0.31 -2.25 116.57 116.38 1xne h LYS 84 Ca 0.11 0.05 0.21 0.00 -0.85 0.00 0.00 60.65 60.17 1xne h LYS 84 Cb 0.44 0.16 -0.17 0.00 -0.60 0.00 0.00 32.23 32.06 1xne h LYS 84 CO 0.02 -0.43 -0.11 -0.09 -3.45 0.00 0.00 179.45 175.38 1xne h ARG 85 N -1.14 0.02 -0.88 1.90 2.43 0.13 1.55 114.38 118.40 1xne h ARG 85 Ca -0.08 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xne h ARG 85 Cb 0.61 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.11 1xne h ARG 85 CO 0.12 0.01 0.56 0.74 -1.51 0.00 0.00 179.97 179.90 1xne h PHE 86 N 0.02 1.12 -0.01 2.20 0.04 -1.25 0.06 116.94 119.11 1xne h PHE 86 Ca 0.49 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.27 1xne h PHE 86 Cb 0.87 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1xne h PHE 86 CO -0.60 0.72 -0.03 0.45 -0.60 0.00 0.00 178.31 178.25 1xne h HIS 87 N 1.20 0.04 -0.05 -0.55 3.86 0.22 -2.95 115.15 116.91 1xne h HIS 87 Ca 0.32 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.53 1xne h HIS 87 Cb -0.11 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 1xne h HIS 87 CO 0.00 0.68 0.19 -0.97 0.86 0.00 0.00 177.93 178.69 1xne h ASN 88 N -0.61 0.00 0.89 2.45 -0.73 0.18 0.52 115.58 118.29 1xne h ASN 88 Ca -0.00 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1xne h ASN 88 Cb 0.68 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.26 1xne h ASN 88 CO 0.01 0.00 -0.38 -0.03 -0.37 0.00 0.00 177.43 176.65 1xne h MET 89 N 0.00 0.00 -2.83 6.67 4.05 -0.80 -3.39 114.93 118.63 1xne h MET 89 Ca 0.03 0.00 -0.57 0.00 -0.28 0.00 0.00 59.70 58.87 1xne h MET 89 Cb 0.41 0.00 -0.40 0.00 -0.80 0.00 0.00 31.60 30.81 1xne h MET 89 CO -0.00 0.38 -0.80 0.71 0.23 0.00 0.00 176.91 177.43 1xne s TYR 90 N -3.56 0.95 -0.07 1.39 2.02 0.18 -5.00 117.35 113.26 1xne s TYR 90 Ca 0.00 -1.58 -0.21 0.00 -0.37 0.00 0.00 57.07 54.91 1xne s TYR 90 Cb 0.11 -1.17 -0.17 0.00 -0.40 0.00 0.00 41.96 40.32 1xne s TYR 90 CO 0.69 -0.83 0.80 -1.00 -1.57 0.00 0.00 175.55 173.64 1xne h PRO 91 N 7.46 -0.11 -6.65 -1.71 0.13 -1.76 -3.46 132.00 125.90 1xne h PRO 91 Ca -0.04 0.01 -0.34 0.00 -0.87 0.00 0.00 66.00 64.75 1xne h PRO 91 Cb 0.98 0.03 0.19 0.00 0.13 0.00 0.00 31.00 32.33 1xne h PRO 91 CO 0.37 0.42 -0.31 1.17 -0.23 0.00 0.00 178.00 179.42 1xne n LYS 92 N -4.82 -3.28 -2.77 0.86 3.00 -1.26 -4.49 118.16 105.40 1xne n LYS 92 Ca -0.08 -0.96 -0.07 0.00 -0.00 0.00 0.00 58.31 57.20 1xne n LYS 92 Cb 0.29 -1.79 0.01 0.00 0.00 0.00 0.00 35.03 33.54 1xne n LYS 92 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.40 178.31 1xne n TRP 93 N -5.09 -3.35 -2.12 5.64 8.01 -1.26 -4.88 117.44 114.40 1xne n TRP 93 Ca 0.07 1.36 -0.42 0.00 -1.31 0.00 0.00 57.50 57.20 1xne n TRP 93 Cb 0.52 -3.96 -0.03 0.00 -2.01 0.00 0.00 31.31 25.83 1xne n TRP 93 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1xne s LYS 94 N -2.47 4.28 -0.75 -0.99 2.20 -1.26 -3.58 119.74 117.18 1xne s LYS 94 Ca 0.22 2.13 -0.05 0.00 -0.36 0.00 0.00 55.97 57.91 1xne s LYS 94 Cb -0.06 -3.33 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1xne s LYS 94 CO 0.73 -0.52 0.63 0.39 -0.36 0.00 0.00 175.35 176.22 1xne n GLU 95 N 4.40 -1.57 -3.62 4.03 1.02 -1.26 -4.99 120.64 118.65 1xne n GLU 95 Ca 0.13 1.08 -0.07 0.00 -0.02 0.00 0.00 57.16 58.27 1xne n GLU 95 Cb 0.42 -3.28 -0.06 0.00 -0.02 0.00 0.00 31.44 28.50 1xne n GLU 95 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1xne s TYR 96 N -2.81 -0.30 -0.03 -0.32 6.14 -1.24 -5.19 117.35 113.61 1xne s TYR 96 Ca 0.05 0.64 -0.30 0.00 0.64 0.00 0.00 57.07 58.10 1xne s TYR 96 Cb -0.01 0.43 0.11 0.00 0.42 0.00 0.00 41.96 42.92 1xne s TYR 96 CO 0.85 -0.20 1.11 -0.98 0.64 0.00 0.00 175.55 176.98 1xne s ARG 97 N -0.42 0.62 -0.29 4.97 1.70 -1.26 -4.96 118.95 119.30 1xne s ARG 97 Ca 0.03 -0.29 -0.18 0.00 -0.47 0.00 0.00 55.73 54.82 1xne s ARG 97 Cb -0.03 0.24 0.16 0.00 -0.57 0.00 0.00 34.95 34.76 1xne s ARG 97 CO -0.06 -0.28 1.09 1.52 -1.08 0.00 0.00 175.30 176.50 1xne s TYR 98 N -2.74 -0.39 0.00 5.89 1.13 -1.26 -5.12 117.35 114.86 1xne s TYR 98 Ca 0.10 0.82 0.00 0.00 -1.41 0.00 0.00 57.07 56.58 1xne s TYR 98 Cb 0.01 0.29 0.00 0.00 -1.10 0.00 0.00 41.96 41.15 1xne s TYR 98 CO -0.04 -0.19 0.00 0.41 -2.51 0.00 0.00 175.55 173.22 1xne n GLY 99 N 3.15 0.33 2.69 5.49 0.00 -1.26 -4.76 105.19 110.83 1xne n GLY 99 Ca -0.17 -0.29 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 1xne n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xne n VAL 100 N 0.00 -5.41 -4.01 1.61 0.31 -1.26 -4.61 118.33 104.96 1xne n VAL 100 Ca 0.00 -0.64 -0.35 0.00 -0.01 0.00 0.00 64.34 63.34 1xne n VAL 100 Cb 0.00 -4.84 -0.13 0.00 -0.91 0.00 0.00 33.84 27.96 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 -4.82 3.08 -0.46 7.52 2.96 -1.26 -1.53 118.68 124.17 1xne s LEU 101 Ca 0.16 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 1xne s LEU 101 Cb -0.02 -1.78 0.07 0.00 0.50 0.00 0.00 46.19 44.96 1xne s LEU 101 CO 0.51 0.02 0.36 0.00 -1.32 0.00 0.00 176.35 175.92 1xne s ALA 102 N 1.24 3.49 -0.22 5.97 0.00 -1.06 -3.94 121.76 127.25 1xne s ALA 102 Ca 0.03 -2.11 -0.16 0.00 0.00 0.00 0.00 51.96 49.72 1xne s ALA 102 Cb -0.14 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1xne s ALA 102 CO -0.00 -1.70 0.40 0.42 0.00 0.00 0.00 175.76 174.87 1xne s ILE 103 N 1.59 5.18 -0.34 0.00 1.01 -1.23 -2.52 121.20 124.90 1xne s ILE 103 Ca 0.04 0.68 -0.11 0.00 0.00 0.00 0.00 60.65 61.26 1xne s ILE 103 Cb -0.24 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.51 1xne s ILE 103 CO 0.06 0.22 0.20 -0.54 0.00 0.00 0.00 174.94 174.87 1xne s LYS 104 N 1.55 3.19 0.16 2.79 1.02 0.28 -2.71 119.74 126.02 1xne s LYS 104 Ca 0.18 -0.83 0.07 0.00 0.02 0.00 0.00 55.97 55.41 1xne s LYS 104 Cb -0.15 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1xne s LYS 104 CO 0.08 -0.53 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.24 1xne s PHE 105 N 1.62 1.59 -0.19 3.18 -0.71 -0.93 -0.47 117.98 122.08 1xne s PHE 105 Ca 0.04 -0.55 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 1xne s PHE 105 Cb -0.18 -0.79 0.05 0.00 -1.21 0.00 0.00 43.02 40.89 1xne s PHE 105 CO 0.08 0.25 -0.07 1.03 -1.34 0.00 0.00 175.22 175.16 1xne s ARG 106 N -3.07 1.71 0.26 1.99 0.52 0.12 -4.70 118.95 115.78 1xne s ARG 106 Ca 0.15 -0.75 -0.31 0.00 -0.52 0.00 0.00 55.73 54.31 1xne s ARG 106 Cb -0.03 -2.30 -0.13 0.00 0.52 0.00 0.00 34.95 33.01 1xne s ARG 106 CO 0.05 -0.47 1.42 1.55 0.02 0.00 0.00 175.30 177.87 1xne n VAL 107 N 4.76 1.11 -3.22 3.52 3.14 -1.26 -1.00 118.33 125.37 1xne n VAL 107 Ca -0.13 -0.28 -0.46 0.00 -2.96 0.00 0.00 64.34 60.52 1xne n VAL 107 Cb 0.46 -1.55 -0.04 0.00 -1.06 0.00 0.00 33.84 31.65 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 -0.13 5.94 0.00 6.55 1.43 -0.76 -4.55 118.68 127.16 1xne s LEU 108 Ca 0.66 -1.81 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 1xne s LEU 108 Cb -0.62 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.35 1xne s LEU 108 CO 0.51 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.78 1xne n GLY 109 N 5.08 -1.44 3.66 -3.19 0.00 -1.26 -4.60 105.19 103.44 1xne n GLY 109 Ca -0.07 0.49 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 1xne n GLY 109 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xne s ARG 110 N 0.00 0.84 0.33 1.61 3.52 -1.26 -5.02 118.95 118.97 1xne s ARG 110 Ca 0.00 1.09 -0.08 0.00 -0.13 0.00 0.00 55.73 56.61 1xne s ARG 110 Cb 0.00 -1.74 -0.06 0.00 -1.56 0.00 0.00 34.95 31.59 1xne s ARG 110 CO 0.00 -2.60 0.64 0.16 -0.81 0.00 0.00 175.30 172.69 1xne s ASP 111 N -3.00 6.51 1.32 -2.12 -4.77 -1.26 -4.99 116.67 108.35 1xne s ASP 111 Ca 0.65 0.92 -0.20 0.00 -3.30 0.00 0.00 52.55 50.63 1xne s ASP 111 Cb -0.21 -2.23 0.31 0.00 -1.09 0.00 0.00 42.92 39.70 1xne s ASP 111 CO 0.59 -0.26 0.73 2.29 0.70 0.00 0.00 175.17 179.21 1xne n LYS 112 N -0.96 -3.82 0.00 2.11 2.85 -1.26 -5.01 118.16 112.07 1xne n LYS 112 Ca 0.00 -1.13 0.15 0.00 -1.05 0.00 0.00 58.31 56.29 1xne n LYS 112 Cb 0.54 -1.84 0.84 0.00 -0.65 0.00 0.00 35.03 33.92 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44