#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 3.81 -0.09 2.12 1.02 -1.26 -4.75 119.74 120.59 1xne s LYS 2 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.44 1xne s LYS 2 Cb 0.00 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1xne s LYS 2 CO 0.00 0.05 -0.09 0.08 -0.92 0.00 0.00 175.35 174.47 1xne s VAL 3 N -2.24 3.50 -0.28 3.17 1.01 -1.25 0.10 120.40 124.42 1xne s VAL 3 Ca 0.51 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1xne s VAL 3 Cb -0.10 -2.44 0.08 0.00 0.00 0.00 0.00 36.38 33.91 1xne s VAL 3 CO 0.28 0.57 0.00 -0.31 0.00 0.00 0.00 175.10 175.64 1xne s TYR 4 N -0.41 2.66 -0.89 5.22 1.51 -0.52 -4.98 117.35 119.95 1xne s TYR 4 Ca 0.06 -2.11 -0.24 0.00 -1.01 0.00 0.00 57.07 53.77 1xne s TYR 4 Cb -0.12 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1xne s TYR 4 CO 0.02 -0.85 1.32 1.03 -1.11 0.00 0.00 175.55 175.96 1xne s ARG 5 N 1.30 3.42 -0.24 -0.62 0.52 -1.26 -0.37 118.95 121.71 1xne s ARG 5 Ca 0.02 -0.89 -0.16 0.00 -0.52 0.00 0.00 55.73 54.18 1xne s ARG 5 Cb -0.19 -4.84 -0.04 0.00 0.52 0.00 0.00 34.95 30.41 1xne s ARG 5 CO -0.11 -2.11 0.40 -0.51 0.02 0.00 0.00 175.30 173.00 1xne s LEU 6 N 4.87 4.09 -0.31 2.53 1.43 0.10 -4.88 118.68 126.52 1xne s LEU 6 Ca 0.39 0.42 -0.25 0.00 -1.03 0.00 0.00 54.13 53.66 1xne s LEU 6 Cb -0.05 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.68 1xne s LEU 6 CO -0.00 -0.15 0.87 -0.31 0.23 0.00 0.00 176.35 176.98 1xne s TYR 7 N 1.77 3.19 0.39 0.29 2.02 -1.26 0.12 117.35 123.88 1xne s TYR 7 Ca 0.18 0.92 0.06 0.00 -0.37 0.00 0.00 57.07 57.86 1xne s TYR 7 Cb -0.15 -3.35 -0.08 0.00 -0.40 0.00 0.00 41.96 37.98 1xne s TYR 7 CO 0.09 -0.62 0.02 -0.51 -1.57 0.00 0.00 175.55 172.96 1xne s LEU 8 N 3.14 2.74 0.39 -1.29 1.02 -1.26 -4.85 118.68 118.57 1xne s LEU 8 Ca 0.36 -1.37 -0.06 0.00 0.02 0.00 0.00 54.13 53.08 1xne s LEU 8 Cb -0.14 -0.80 -0.05 0.00 0.02 0.00 0.00 46.19 45.23 1xne s LEU 8 CO 0.13 -0.48 0.69 -0.54 0.02 0.00 0.00 176.35 176.17 1xne s LYS 9 N -3.75 3.62 0.42 1.70 1.02 -1.26 -4.72 119.74 116.77 1xne s LYS 9 Ca 0.35 0.14 0.09 0.00 0.02 0.00 0.00 55.97 56.58 1xne s LYS 9 Cb 0.10 -2.49 0.93 0.00 -0.52 0.00 0.00 37.83 35.85 1xne s LYS 9 CO 0.18 -0.00 2.05 -0.44 -0.92 0.00 0.00 175.35 176.21 1xne h ASP 10 N 0.94 0.41 0.23 2.83 5.19 -2.01 1.47 116.42 125.49 1xne h ASP 10 Ca -0.48 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 55.92 1xne h ASP 10 Cb 1.20 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.60 1xne h ASP 10 CO 0.63 0.29 -0.16 -0.33 -3.12 0.00 0.00 179.24 176.55 1xne h GLU 11 N 0.48 -0.38 0.04 3.56 4.39 -1.99 0.42 114.58 121.10 1xne h GLU 11 Ca 0.16 0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 1xne h GLU 11 Cb 0.06 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1xne h GLU 11 CO -0.04 -0.25 -0.46 1.88 -1.16 0.00 0.00 179.01 178.97 1xne h TYR 12 N -0.40 0.38 -0.81 4.33 0.05 -1.79 -3.29 116.97 115.45 1xne h TYR 12 Ca -0.02 -0.24 0.13 0.00 0.05 0.00 0.00 58.73 58.65 1xne h TYR 12 Cb 0.34 -0.03 -0.09 0.00 1.01 0.00 0.00 36.73 37.96 1xne h TYR 12 CO -0.10 1.11 0.41 1.25 -1.05 0.00 0.00 178.16 179.77 1xne h LEU 13 N -0.45 0.50 -0.78 3.88 5.85 0.20 -0.38 115.31 124.14 1xne h LEU 13 Ca -0.07 0.08 0.18 0.00 0.84 0.00 0.00 57.88 58.91 1xne h LEU 13 Cb 1.27 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 42.16 1xne h LEU 13 CO 0.09 0.23 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.06 1xne h GLU 14 N 0.62 0.07 -0.56 1.25 5.08 -0.22 0.37 114.58 121.18 1xne h GLU 14 Ca 0.43 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.82 1xne h GLU 14 Cb 0.56 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 1xne h GLU 14 CO -0.34 0.05 0.32 0.52 -1.00 0.00 0.00 179.01 178.57 1xne h MET 15 N 0.07 0.61 -0.91 2.33 2.86 -1.17 -0.07 114.93 118.66 1xne h MET 15 Ca 0.42 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 58.06 1xne h MET 15 Cb 0.73 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.20 1xne h MET 15 CO -0.71 0.41 0.60 0.28 1.06 0.00 0.00 176.91 178.54 1xne h VAL 16 N 0.63 1.14 -0.57 -2.22 2.07 -0.18 -0.78 116.25 116.34 1xne h VAL 16 Ca 0.24 -0.38 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1xne h VAL 16 Cb 0.07 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1xne h VAL 16 CO -0.13 0.20 0.09 0.11 0.02 0.00 0.00 177.57 177.87 1xne h LYS 17 N 1.12 0.95 -0.73 1.57 1.79 0.21 -2.46 116.57 119.02 1xne h LYS 17 Ca 0.37 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1xne h LYS 17 Cb 0.05 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.55 1xne h LYS 17 CO -0.12 0.91 0.48 0.66 -1.08 0.00 0.00 179.45 180.31 1xne h SER 18 N 0.85 0.79 0.00 0.86 4.64 0.29 -3.46 113.55 117.51 1xne h SER 18 Ca 0.17 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1xne h SER 18 Cb 0.42 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1xne h SER 18 CO 0.01 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.13 1xne n GLY 19 N -1.43 0.67 0.22 -0.77 0.00 -0.49 -4.97 105.19 98.42 1xne n GLY 19 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 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 2.97 0.72 -6.42 1.61 1.79 -1.76 -3.42 116.57 112.07 1xne h LYS 20 Ca 0.00 -0.29 -0.54 0.00 -2.18 0.00 0.00 60.65 57.64 1xne h LYS 20 Cb 0.00 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1xne h LYS 20 CO 0.00 0.89 0.98 0.21 -1.08 0.00 0.00 179.45 180.45 1xne s LYS 21 N -4.71 4.21 0.00 3.15 2.20 -1.23 -4.66 119.74 118.70 1xne s LYS 21 Ca -0.13 2.26 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 1xne s LYS 21 Cb 0.10 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1xne s LYS 21 CO 0.81 -0.72 0.00 -2.13 -0.36 0.00 0.00 175.35 172.95 1xne n ARG 22 N 5.73 0.00 -3.60 4.03 3.00 -1.26 -4.85 116.66 119.71 1xne n ARG 22 Ca 0.16 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.64 1xne n ARG 22 Cb 0.41 -0.16 -0.08 0.00 0.00 0.00 0.00 32.46 32.62 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 -1.63 5.33 -0.33 5.15 1.09 -1.26 -1.84 121.20 127.70 1xne s ILE 23 Ca 0.00 0.34 -0.07 0.00 -1.10 0.00 0.00 60.65 59.82 1xne s ILE 23 Cb 0.00 -3.56 0.03 0.00 -1.06 0.00 0.00 42.46 37.87 1xne s ILE 23 CO 0.00 0.35 0.11 -0.70 -0.10 0.00 0.00 174.94 174.61 1xne s GLU 24 N 0.88 2.75 -0.35 2.79 -6.30 0.18 -4.57 118.70 114.09 1xne s GLU 24 Ca 0.11 -1.09 -0.09 0.00 -2.50 0.00 0.00 54.97 51.40 1xne s GLU 24 Cb -0.13 -3.48 0.03 0.00 0.00 0.00 0.00 34.13 30.54 1xne s GLU 24 CO 0.04 -0.62 0.15 0.14 0.02 0.00 0.00 175.26 174.99 1xne s VAL 25 N 1.45 4.25 0.21 3.70 -7.23 -1.25 -1.43 120.40 120.09 1xne s VAL 25 Ca -0.00 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.06 1xne s VAL 25 Cb -0.19 -3.34 0.05 0.00 0.56 0.00 0.00 36.38 33.46 1xne s VAL 25 CO 0.03 -0.15 0.77 -0.60 -0.31 0.00 0.00 175.10 174.85 1xne s ARG 26 N 1.51 1.48 0.03 4.82 3.52 -1.21 -4.97 118.95 124.12 1xne s ARG 26 Ca 0.01 -0.76 -0.38 0.00 -0.13 0.00 0.00 55.73 54.47 1xne s ARG 26 Cb -0.19 0.54 -0.18 0.00 -1.56 0.00 0.00 34.95 33.56 1xne s ARG 26 CO 0.05 -0.67 1.26 0.28 -0.81 0.00 0.00 175.30 175.41 1xne n VAL 27 N -0.43 0.01 -1.01 7.11 0.31 -1.26 -3.64 118.33 119.41 1xne n VAL 27 Ca -0.07 -0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.96 1xne n VAL 27 Cb 0.61 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.27 6.10 -0.73 3.52 0.00 -1.26 -4.76 120.51 125.65 1xne n ALA 28 Ca 0.19 -2.69 -0.32 0.00 0.00 0.00 0.00 53.44 50.62 1xne n ALA 28 Cb 0.14 -3.15 0.15 0.00 0.00 0.00 0.00 19.45 16.59 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 3.84 -0.81 0.61 0.00 4.01 -1.26 -4.35 117.16 119.19 1xne n TYR 29 Ca 0.60 0.24 0.12 0.00 -0.16 0.00 0.00 57.90 58.70 1xne n TYR 29 Cb 0.20 -1.81 0.46 0.00 -0.31 0.00 0.00 39.34 37.88 1xne n TYR 29 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xne n PRO 30 N -2.66 0.13 -0.27 -0.72 -0.04 -1.26 0.15 135.00 130.33 1xne n PRO 30 Ca 0.07 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1xne n PRO 30 Cb 0.54 -1.70 0.25 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.94 2.64 0.04 0.54 7.27 -1.26 -4.20 117.38 120.47 1xne n GLN 31 Ca 0.04 -2.37 0.00 0.00 0.07 0.00 0.00 57.00 54.74 1xne n GLN 31 Cb 0.30 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.48 1xne n GLN 31 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xne n LEU 32 N 1.28 0.02 -0.23 1.69 4.77 -0.94 -4.80 117.00 118.79 1xne n LEU 32 Ca 0.19 0.13 0.28 0.00 -0.03 0.00 0.00 56.01 56.58 1xne n LEU 32 Cb 0.55 0.08 0.67 0.00 -2.33 0.00 0.00 43.42 42.40 1xne n LEU 32 CO 0.14 -0.52 1.26 0.07 -1.33 0.00 0.00 177.39 177.01 1xne h LYS 33 N 0.00 0.11 -0.09 3.23 5.09 0.12 1.44 116.57 126.48 1xne h LYS 33 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 60.65 60.76 1xne h LYS 33 Cb 0.14 -0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.45 1xne h LYS 33 CO 0.00 0.07 0.08 0.22 -2.09 0.00 0.00 179.45 177.73 1xne h ASP 34 N 0.11 0.00 -3.13 7.07 1.82 -1.73 -3.43 116.42 117.14 1xne h ASP 34 Ca 0.48 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.56 1xne h ASP 34 Cb 1.71 0.00 0.19 0.00 0.68 0.00 0.00 39.33 41.90 1xne h ASP 34 CO -0.07 0.00 -0.44 0.00 -1.61 0.00 0.00 179.24 177.12 1xne n ILE 35 N -4.12 1.76 -3.84 2.25 0.13 0.49 -5.00 119.36 111.04 1xne n ILE 35 Ca -0.01 -0.42 -0.05 0.00 -1.10 0.00 0.00 62.75 61.17 1xne n ILE 35 Cb 0.19 -0.70 0.01 0.00 -0.84 0.00 0.00 39.64 38.31 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 -2.61 1.67 0.20 9.51 -2.85 -1.26 -5.00 119.74 119.40 1xne s LYS 36 Ca 0.65 -1.05 -0.31 0.00 -1.00 0.00 0.00 55.97 54.26 1xne s LYS 36 Cb -0.36 0.48 -0.10 0.00 -2.06 0.00 0.00 37.83 35.79 1xne s LYS 36 CO 0.58 -0.78 1.54 0.50 0.10 0.00 0.00 175.35 177.29 1xne s ARG 37 N -2.44 4.22 0.00 1.78 3.52 -1.26 -2.23 118.95 122.55 1xne s ARG 37 Ca 0.18 2.37 0.00 0.00 -0.13 0.00 0.00 55.73 58.15 1xne s ARG 37 Cb -0.04 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.22 1xne s ARG 37 CO 0.07 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1xne n GLY 38 N 3.19 2.40 3.82 8.12 0.00 -1.22 -5.02 105.19 116.47 1xne n GLY 38 Ca 0.11 0.00 -0.28 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 0.23 -3.96 1.61 9.92 -0.94 -4.22 116.55 119.19 1xne n ASP 39 Ca 0.00 -1.54 -0.12 0.00 -0.53 0.00 0.00 54.79 52.59 1xne n ASP 39 Cb 0.00 -0.97 -0.13 0.00 -0.64 0.00 0.00 41.12 39.38 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 -5.79 0.29 -0.08 -1.24 2.20 0.12 -2.44 119.74 112.80 1xne s LYS 40 Ca 0.74 -0.35 0.02 0.00 -0.36 0.00 0.00 55.97 56.02 1xne s LYS 40 Cb -0.02 -0.13 0.02 0.00 -1.51 0.00 0.00 37.83 36.18 1xne s LYS 40 CO 0.51 0.03 -0.11 0.42 -0.36 0.00 0.00 175.35 175.84 1xne s ILE 41 N -0.66 1.10 -0.31 5.43 1.01 0.25 -1.43 121.20 126.59 1xne s ILE 41 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1xne s ILE 41 Cb -0.05 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.39 1xne s ILE 41 CO -0.00 0.36 0.12 -0.63 0.00 0.00 0.00 174.94 174.78 1xne s ILE 42 N 0.92 4.24 -0.13 2.92 -1.09 0.51 0.15 121.20 128.71 1xne s ILE 42 Ca -0.10 -0.60 -0.23 0.00 -2.23 0.00 0.00 60.65 57.49 1xne s ILE 42 Cb -0.15 -3.19 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 1xne s ILE 42 CO 0.01 0.06 0.71 -0.36 -1.23 0.00 0.00 174.94 174.12 1xne s PHE 43 N 1.55 3.48 -1.29 3.97 0.40 0.37 0.03 117.98 126.48 1xne s PHE 43 Ca 0.03 1.16 0.00 0.00 -0.60 0.00 0.00 56.93 57.52 1xne s PHE 43 Cb -0.17 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.50 1xne s PHE 43 CO 0.04 -0.07 0.00 0.09 0.70 0.00 0.00 175.22 175.98 1xne n ASN 44 N 4.50 -5.65 -3.64 1.36 4.13 0.33 -2.37 115.26 113.94 1xne n ASN 44 Ca 0.00 0.30 -0.29 0.00 1.68 0.00 0.00 54.58 56.27 1xne n ASN 44 Cb 0.50 -4.22 0.05 0.00 -1.54 0.00 0.00 39.78 34.57 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 -1.17 -5.18 0.00 6.41 2.03 -1.23 -4.78 116.55 112.63 1xne n ASP 45 Ca -0.12 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1xne n ASP 45 Cb 0.60 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.37 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 -4.08 0.00 -4.39 -2.67 7.94 -1.00 -5.08 117.00 107.73 1xne n LEU 46 Ca -0.10 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.39 1xne n LEU 46 Cb 0.60 0.39 -0.11 0.00 0.53 0.00 0.00 43.42 44.83 1xne n LEU 46 CO 0.66 -0.39 -0.16 -0.63 -1.11 0.00 0.00 177.39 175.77 1xne s ILE 47 N -1.87 4.62 0.71 1.96 1.01 -1.03 -4.96 121.20 121.64 1xne s ILE 47 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1xne s ILE 47 Cb 0.00 -3.57 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1xne s ILE 47 CO 0.00 -0.22 1.06 -2.16 0.00 0.00 0.00 174.94 173.62 1xne s PRO 48 N 1.57 2.86 -0.06 2.79 0.04 -1.26 -0.48 135.00 140.46 1xne s PRO 48 Ca 0.02 0.92 -0.16 0.00 0.04 0.00 0.00 61.00 61.82 1xne s PRO 48 Cb -0.19 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.40 1xne s PRO 48 CO 0.07 -1.15 0.37 0.00 0.04 0.00 0.00 177.00 176.33 1xne s ALA 49 N -3.06 -0.94 -0.07 8.56 0.00 0.39 -3.06 121.76 123.58 1xne s ALA 49 Ca 0.58 0.65 0.01 0.00 0.00 0.00 0.00 51.96 53.19 1xne s ALA 49 Cb -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1xne s ALA 49 CO 0.55 -0.25 -0.07 -2.00 0.00 0.00 0.00 175.76 173.99 1xne s GLU 50 N -0.88 2.80 -0.16 0.00 2.12 -0.32 0.86 118.70 123.11 1xne s GLU 50 Ca -0.10 -0.55 -0.29 0.00 0.36 0.00 0.00 54.97 54.40 1xne s GLU 50 Cb -0.04 -2.61 -0.01 0.00 0.26 0.00 0.00 34.13 31.73 1xne s GLU 50 CO 0.04 0.64 1.25 0.08 -0.54 0.00 0.00 175.26 176.72 1xne s VAL 51 N -0.74 4.30 -0.16 3.70 1.01 -1.02 0.26 120.40 127.74 1xne s VAL 51 Ca 0.11 1.57 -0.15 0.00 0.00 0.00 0.00 61.98 63.52 1xne s VAL 51 Cb -0.11 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 1xne s VAL 51 CO 0.02 -0.13 0.30 0.58 0.00 0.00 0.00 175.10 175.87 1xne h VAL 52 N 5.46 0.79 -2.31 2.92 2.07 -1.11 -3.24 116.25 120.83 1xne h VAL 52 Ca -0.27 -2.26 0.09 0.00 0.82 0.00 0.00 66.70 65.08 1xne h VAL 52 Cb 1.11 2.37 -0.15 0.00 -1.52 0.00 0.00 31.29 33.09 1xne h VAL 52 CO 0.96 0.60 0.46 -0.70 0.02 0.00 0.00 177.57 178.91 1xne s GLU 53 N -2.46 0.86 0.05 1.57 2.56 -0.93 -4.82 118.70 115.53 1xne s GLU 53 Ca -0.25 -0.29 0.05 0.00 0.00 0.00 0.00 54.97 54.48 1xne s GLU 53 Cb 0.06 0.40 -0.02 0.00 2.00 0.00 0.00 34.13 36.56 1xne s GLU 53 CO 0.68 -0.37 -0.15 0.54 -0.56 0.00 0.00 175.26 175.40 1xne s VAL 54 N -3.05 1.17 0.01 3.70 0.11 -1.26 0.17 120.40 121.25 1xne s VAL 54 Ca 0.04 -1.14 -0.04 0.00 -2.93 0.00 0.00 61.98 57.91 1xne s VAL 54 Cb -0.01 -1.08 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1xne s VAL 54 CO -0.09 -0.07 0.07 -0.54 -3.33 0.00 0.00 175.10 171.14 1xne s LYS 55 N -1.38 0.39 0.02 1.54 -0.14 0.50 -4.96 119.74 115.70 1xne s LYS 55 Ca 0.01 -0.45 0.02 0.00 -1.36 0.00 0.00 55.97 54.18 1xne s LYS 55 Cb -0.09 0.15 -0.01 0.00 -1.68 0.00 0.00 37.83 36.20 1xne s LYS 55 CO 0.02 -0.08 -0.06 0.21 -0.76 0.00 0.00 175.35 174.68 1xne s LYS 56 N -1.33 0.43 0.05 1.68 2.20 -1.26 0.69 119.74 122.21 1xne s LYS 56 Ca -0.14 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.03 1xne s LYS 56 Cb -0.08 -0.30 -0.00 0.00 -1.51 0.00 0.00 37.83 35.93 1xne s LYS 56 CO 0.00 0.07 0.06 0.66 -0.36 0.00 0.00 175.35 175.78 1xne n TYR 57 N 2.25 -0.43 -0.04 4.03 4.01 -0.92 -4.96 117.16 121.10 1xne n TYR 57 Ca -0.18 -0.35 -0.05 0.00 -0.16 0.00 0.00 57.90 57.16 1xne n TYR 57 Cb 0.57 0.07 -0.02 0.00 -0.31 0.00 0.00 39.34 39.64 1xne n TYR 57 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1xne n GLU 58 N -0.08 0.32 -3.57 -0.72 1.02 -1.26 -4.66 120.64 111.69 1xne n GLU 58 Ca 0.00 0.13 -0.32 0.00 -0.02 0.00 0.00 57.16 56.95 1xne n GLU 58 Cb 0.08 -1.04 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 1xne n GLU 58 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xne s THR 59 N -2.45 5.07 0.18 2.62 -4.23 -1.26 -4.68 115.64 110.89 1xne s THR 59 Ca -0.17 0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 60.55 1xne s THR 59 Cb 0.02 -3.62 -0.07 0.00 1.34 0.00 0.00 72.50 70.17 1xne s THR 59 CO 0.26 0.03 1.48 0.15 -0.54 0.00 0.00 174.62 175.99 1xne h PHE 60 N 2.83 0.66 -0.95 3.99 3.04 -1.95 -3.10 116.94 121.46 1xne h PHE 60 Ca -0.47 -0.25 0.19 0.00 3.98 0.00 0.00 57.97 61.42 1xne h PHE 60 Cb 1.17 -0.12 -0.11 0.00 2.56 0.00 0.00 35.95 39.46 1xne h PHE 60 CO 0.62 0.99 0.54 -0.09 -2.02 0.00 0.00 178.31 178.35 1xne h ARG 61 N 0.38 0.65 -0.47 1.11 1.12 -1.99 0.35 114.38 115.53 1xne h ARG 61 Ca -0.01 -0.04 -0.07 0.00 -1.11 0.00 0.00 59.98 58.75 1xne h ARG 61 Cb 1.17 -0.15 -0.02 0.00 -0.01 0.00 0.00 29.97 30.96 1xne h ARG 61 CO 0.11 0.43 -0.01 0.37 -3.11 0.00 0.00 179.97 177.77 1xne h GLN 62 N 0.67 0.79 0.00 0.20 -0.00 -1.96 -1.69 115.11 113.12 1xne h GLN 62 Ca 0.55 -0.22 -0.03 0.00 -0.00 0.00 0.00 58.65 58.95 1xne h GLN 62 Cb 0.88 -0.09 -0.00 0.00 0.00 0.00 0.00 27.48 28.26 1xne h GLN 62 CO -0.40 0.80 -0.15 0.28 0.00 0.00 0.00 178.83 179.36 1xne h VAL 63 N 0.74 1.00 0.00 2.39 2.07 -0.36 0.18 116.25 122.26 1xne h VAL 63 Ca 0.14 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1xne h VAL 63 Cb 0.46 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1xne h VAL 63 CO 0.02 0.15 -0.08 0.18 0.02 0.00 0.00 177.57 177.86 1xne n LEU 64 N -4.19 0.43 -0.04 2.57 4.32 -0.54 -0.83 117.00 118.71 1xne n LEU 64 Ca -0.02 0.48 -0.21 0.00 -0.02 0.00 0.00 56.01 56.23 1xne n LEU 64 Cb 0.23 -0.38 -0.13 0.00 -1.62 0.00 0.00 43.42 41.52 1xne n LEU 64 CO 0.35 -0.07 -0.50 0.03 -1.22 0.00 0.00 177.39 175.98 1xne h ARG 65 N 0.00 0.14 0.00 3.23 2.47 -0.20 -3.41 114.38 116.60 1xne h ARG 65 Ca 0.00 -0.23 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1xne h ARG 65 Cb 0.62 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 29.02 1xne h ARG 65 CO 0.00 1.11 -0.05 0.93 0.56 0.00 0.00 179.97 182.52 1xne h GLU 66 N -0.55 0.00 -6.76 0.04 4.39 -1.22 -3.46 114.58 107.02 1xne h GLU 66 Ca -0.33 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.88 1xne h GLU 66 Cb 1.59 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.21 1xne h GLU 66 CO -0.05 0.45 0.15 -1.21 -1.16 0.00 0.00 179.01 177.19 1xne s GLU 67 N -1.88 4.09 1.00 2.33 8.01 -0.01 -5.07 118.70 127.17 1xne s GLU 67 Ca -0.09 0.79 -0.15 0.00 0.01 0.00 0.00 54.97 55.53 1xne s GLU 67 Cb -0.01 -2.46 0.19 0.00 -4.31 0.00 0.00 34.13 27.54 1xne s GLU 67 CO 0.32 0.16 1.18 -1.25 0.01 0.00 0.00 175.26 175.68 1xne s PRO 68 N -2.85 0.41 -0.09 0.39 0.04 -1.26 -4.27 135.00 127.36 1xne s PRO 68 Ca 0.54 0.01 0.04 0.00 0.04 0.00 0.00 61.00 61.63 1xne s PRO 68 Cb -0.11 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1xne s PRO 68 CO 0.17 -2.64 -0.03 -0.89 0.04 0.00 0.00 177.00 173.65 1xne n ILE 69 N -4.02 0.58 -0.18 0.56 5.41 -1.26 -4.09 119.36 116.37 1xne n ILE 69 Ca 0.11 -0.29 0.02 0.00 1.00 0.00 0.00 62.75 63.58 1xne n ILE 69 Cb 0.59 -0.83 0.29 0.00 -0.71 0.00 0.00 39.64 38.99 1xne n ILE 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1xne h ASP 70 N 0.00 0.77 0.17 4.38 3.32 -1.94 0.14 116.42 123.27 1xne h ASP 70 Ca -0.23 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1xne h ASP 70 Cb 1.44 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xne h ASP 70 CO -0.01 0.55 -0.08 0.11 -1.72 0.00 0.00 179.24 178.09 1xne h LYS 71 N 0.91 -0.22 -0.58 3.56 1.57 -1.83 -3.28 116.57 116.70 1xne h LYS 71 Ca 0.26 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.17 1xne h LYS 71 Cb -0.05 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.20 1xne h LYS 71 CO -0.06 0.19 -0.22 0.82 -0.57 0.00 0.00 179.45 179.61 1xne h ILE 72 N -0.88 0.31 -3.77 1.86 2.04 -1.64 -3.38 117.51 112.05 1xne h ILE 72 Ca -0.02 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.48 1xne h ILE 72 Cb 0.51 0.31 -0.30 0.00 -0.74 0.00 0.00 36.82 36.60 1xne h ILE 72 CO 0.04 0.00 -0.76 -0.36 0.00 0.00 0.00 178.15 177.07 1xne s PHE 73 N -6.15 0.55 -0.03 1.37 0.08 0.48 -4.93 117.98 109.35 1xne s PHE 73 Ca -0.14 -0.11 0.22 0.00 0.12 0.00 0.00 56.93 57.01 1xne s PHE 73 Cb 0.18 -0.42 0.62 0.00 -0.57 0.00 0.00 43.02 42.83 1xne s PHE 73 CO 0.72 -0.06 1.70 -1.00 -0.10 0.00 0.00 175.22 176.47 1xne h PRO 74 N 6.42 0.00 0.00 0.24 0.13 -1.79 -2.91 132.00 134.09 1xne h PRO 74 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.49 0.26 0.07 -0.44 -0.23 0.00 0.00 178.00 178.15 1xne h ASP 75 N 0.00 0.00 -6.07 1.44 3.32 -1.91 -3.46 116.42 109.73 1xne h ASP 75 Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.75 1xne h ASP 75 Cb 0.95 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.53 1xne h ASP 75 CO 0.03 0.00 -0.66 0.29 -1.72 0.00 0.00 179.24 177.19 1xne n LYS 76 N -2.90 -1.38 -1.17 3.56 5.02 -1.10 -4.97 118.16 115.22 1xne n LYS 76 Ca -0.03 0.93 -0.24 0.00 -2.02 0.00 0.00 58.31 56.96 1xne n LYS 76 Cb 0.13 -4.15 0.18 0.00 -0.02 0.00 0.00 35.03 31.17 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 -2.81 -1.86 -4.07 1.97 -0.04 -1.26 -5.05 135.00 121.89 1xne n PRO 77 Ca -0.13 -1.51 -0.26 0.00 -0.04 0.00 0.00 63.50 61.56 1xne n PRO 77 Cb 0.59 -1.19 -0.05 0.00 -0.04 0.00 0.00 33.50 32.81 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 -4.36 5.63 0.33 3.54 0.01 -1.26 -4.88 113.70 112.71 1xne s SER 78 Ca 0.58 -0.10 0.12 0.00 1.31 0.00 0.00 55.95 57.86 1xne s SER 78 Cb -0.04 -1.50 0.97 0.00 0.21 0.00 0.00 66.02 65.66 1xne s SER 78 CO 0.43 0.05 1.70 0.15 0.41 0.00 0.00 173.24 175.98 1xne h PHE 79 N 2.27 0.98 -0.01 2.43 3.57 -1.98 1.45 116.94 125.65 1xne h PHE 79 Ca -0.48 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.02 1xne h PHE 79 Cb 1.20 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1xne h PHE 79 CO 0.57 -0.03 -0.12 1.49 -2.23 0.00 0.00 178.31 177.99 1xne h GLU 80 N 0.48 0.10 -0.42 1.11 4.81 -1.99 -2.84 114.58 115.82 1xne h GLU 80 Ca 0.68 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.85 1xne h GLU 80 Cb 1.41 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.78 1xne h GLU 80 CO -0.52 0.83 0.20 -0.22 -0.73 0.00 0.00 179.01 178.56 1xne h LYS 81 N -0.60 0.39 -0.69 1.92 3.64 -1.36 0.85 116.57 120.73 1xne h LYS 81 Ca -0.01 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1xne h LYS 81 Cb 0.86 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 1xne h LYS 81 CO 0.02 0.26 0.46 0.00 -2.27 0.00 0.00 179.45 177.93 1xne h ALA 82 N 1.23 2.07 0.11 5.00 0.00 0.18 1.32 119.26 129.18 1xne h ALA 82 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1xne h ALA 82 Cb 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xne h ALA 82 CO -0.14 -0.24 -0.05 1.25 0.00 0.00 0.00 179.25 180.07 1xne h LEU 83 N 0.41 -0.13 0.36 0.00 7.12 -0.73 -2.64 115.31 119.71 1xne h LEU 83 Ca 0.33 -0.41 -0.02 0.00 0.13 0.00 0.00 57.88 57.92 1xne h LEU 83 Cb 0.71 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.88 1xne h LEU 83 CO -0.10 0.38 -0.17 0.50 -0.13 0.00 0.00 178.44 178.92 1xne h LYS 84 N -0.68 -0.46 -0.91 1.25 3.64 0.22 -2.76 116.57 116.86 1xne h LYS 84 Ca -0.02 0.03 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 1xne h LYS 84 Cb 0.52 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 32.28 1xne h LYS 84 CO 0.02 -0.28 -0.13 0.00 -2.27 0.00 0.00 179.45 176.80 1xne h ARG 85 N -0.53 0.02 -2.49 1.90 2.47 0.16 0.11 114.38 116.02 1xne h ARG 85 Ca -0.05 -0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.29 1xne h ARG 85 Cb 0.40 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1xne h ARG 85 CO 0.08 0.01 1.42 1.19 0.56 0.00 0.00 179.97 183.23 1xne n PHE 86 N -5.53 1.00 0.04 3.04 3.72 -0.99 -3.69 117.46 115.04 1xne n PHE 86 Ca 0.16 -2.09 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 1xne n PHE 86 Cb 0.54 -1.91 0.00 0.00 -0.94 0.00 0.00 39.48 37.17 1xne n PHE 86 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 1xne n HIS 87 N 3.02 -2.67 -0.09 1.38 -0.00 0.14 -4.98 115.22 112.03 1xne n HIS 87 Ca 0.56 0.27 -0.05 0.00 0.46 0.00 0.00 57.72 58.96 1xne n HIS 87 Cb 0.59 1.05 -0.04 0.00 -0.12 0.00 0.00 29.99 31.47 1xne n HIS 87 CO 0.00 0.00 0.00 -0.97 0.46 0.00 0.00 176.34 175.83 1xne h ASN 88 N 0.00 -0.70 -2.16 0.26 -0.73 -1.00 -3.42 115.58 107.84 1xne h ASN 88 Ca 0.00 0.10 -0.56 0.00 1.87 0.00 0.00 56.30 57.71 1xne h ASN 88 Cb 0.00 0.29 0.22 0.00 0.27 0.00 0.00 38.32 39.11 1xne h ASN 88 CO 0.00 -0.12 -1.57 1.15 -0.37 0.00 0.00 177.43 176.52 1xne n MET 89 N -3.70 -0.01 -3.10 6.67 0.00 -1.24 -3.84 117.12 111.90 1xne n MET 89 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1xne n MET 89 Cb 0.11 -1.10 0.01 0.00 0.00 0.00 0.00 33.22 32.23 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 -2.39 -0.45 -2.49 3.17 4.02 -1.26 -4.84 117.16 112.91 1xne n TYR 90 Ca 0.01 0.19 -0.41 0.00 -0.01 0.00 0.00 57.90 57.68 1xne n TYR 90 Cb 0.54 -1.07 -0.04 0.00 -0.02 0.00 0.00 39.34 38.75 1xne n TYR 90 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1xne s PRO 91 N -1.19 4.60 -0.36 -0.72 0.04 -1.25 -4.96 135.00 131.17 1xne s PRO 91 Ca 0.07 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 1xne s PRO 91 Cb -0.01 -3.25 0.27 0.00 0.04 0.00 0.00 34.50 31.55 1xne s PRO 91 CO 0.15 0.11 1.17 1.17 0.04 0.00 0.00 177.00 179.64 1xne n LYS 92 N 2.02 0.24 -1.25 4.56 3.00 -1.26 -5.13 118.16 120.33 1xne n LYS 92 Ca 0.02 -0.88 0.04 0.00 -0.00 0.00 0.00 58.31 57.48 1xne n LYS 92 Cb 0.46 -0.45 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 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 1.54 -3.42 -1.57 5.64 8.01 -1.26 -4.27 117.44 122.11 1xne n TRP 93 Ca 0.03 1.86 -0.40 0.00 -1.31 0.00 0.00 57.50 57.68 1xne n TRP 93 Cb 0.69 -3.00 -0.04 0.00 -2.01 0.00 0.00 31.31 26.95 1xne n TRP 93 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1xne n LYS 94 N -2.79 1.93 -3.16 -0.99 4.81 -1.26 -4.61 118.16 112.09 1xne n LYS 94 Ca -0.02 -2.24 0.06 0.00 -0.87 0.00 0.00 58.31 55.23 1xne n LYS 94 Cb 0.44 -3.20 -0.02 0.00 0.02 0.00 0.00 35.03 32.26 1xne n LYS 94 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 1xne s GLU 95 N 4.88 0.05 0.00 1.64 -1.05 -1.26 -5.06 118.70 117.90 1xne s GLU 95 Ca 0.57 0.10 0.00 0.00 -0.15 0.00 0.00 54.97 55.49 1xne s GLU 95 Cb 0.10 0.05 0.00 0.00 -0.44 0.00 0.00 34.13 33.85 1xne s GLU 95 CO 0.08 -0.05 0.00 0.98 0.95 0.00 0.00 175.26 177.22 1xne n TYR 96 N 5.39 0.00 0.00 4.83 4.19 -1.26 -4.93 117.16 125.37 1xne n TYR 96 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 1xne n TYR 96 Cb 0.55 0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.39 1xne n TYR 96 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 1xne n ARG 97 N -2.48 0.00 -1.45 2.98 5.12 -1.26 -4.89 116.66 114.68 1xne n ARG 97 Ca 0.00 0.00 0.19 0.00 -1.93 0.00 0.00 57.85 56.11 1xne n ARG 97 Cb 0.44 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.69 1xne n ARG 97 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1xne n TYR 98 N 0.00 -3.68 -3.24 -1.55 4.01 -1.26 -4.94 117.16 106.50 1xne n TYR 98 Ca 0.00 1.87 -0.20 0.00 -0.16 0.00 0.00 57.90 59.41 1xne n TYR 98 Cb 0.00 -3.34 0.05 0.00 -0.31 0.00 0.00 39.34 35.74 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xne n GLY 99 N -4.26 2.15 2.55 2.72 0.00 -1.26 -5.03 105.19 102.06 1xne n GLY 99 Ca -0.01 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.60 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 -2.12 -0.66 -4.08 1.61 0.31 -1.26 -4.77 118.33 107.36 1xne n VAL 100 Ca 0.12 -2.35 -0.28 0.00 -0.01 0.00 0.00 64.34 61.82 1xne n VAL 100 Cb 0.59 -0.45 -0.17 0.00 -0.91 0.00 0.00 33.84 32.90 1xne n VAL 100 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1xne s LEU 101 N 0.37 1.49 -0.48 7.52 2.96 -1.24 -2.16 118.68 127.13 1xne s LEU 101 Ca 0.32 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 53.68 1xne s LEU 101 Cb 0.03 -1.01 0.08 0.00 0.50 0.00 0.00 46.19 45.79 1xne s LEU 101 CO -0.13 -0.06 0.42 0.00 -1.32 0.00 0.00 176.35 175.25 1xne s ALA 102 N 1.45 3.56 -0.21 5.97 0.00 0.22 -3.34 121.76 129.39 1xne s ALA 102 Ca 0.02 -2.14 -0.08 0.00 0.00 0.00 0.00 51.96 49.76 1xne s ALA 102 Cb -0.13 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1xne s ALA 102 CO -0.07 -1.78 0.10 0.42 0.00 0.00 0.00 175.76 174.42 1xne s ILE 103 N 1.71 4.92 -0.17 0.00 1.01 -0.51 0.19 121.20 128.34 1xne s ILE 103 Ca 0.05 0.02 -0.05 0.00 0.00 0.00 0.00 60.65 60.67 1xne s ILE 103 Cb -0.25 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1xne s ILE 103 CO 0.07 0.40 -0.01 -0.75 0.00 0.00 0.00 174.94 174.65 1xne s LYS 104 N 0.78 3.73 0.07 2.79 2.20 0.46 0.49 119.74 130.26 1xne s LYS 104 Ca 0.05 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.06 1xne s LYS 104 Cb -0.13 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1xne s LYS 104 CO 0.02 0.21 0.29 -0.59 -0.36 0.00 0.00 175.35 174.91 1xne s PHE 105 N 0.48 -0.05 -0.06 4.03 -0.12 -0.77 -0.50 117.98 120.99 1xne s PHE 105 Ca -0.02 -0.19 -0.01 0.00 -0.05 0.00 0.00 56.93 56.67 1xne s PHE 105 Cb -0.14 0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1xne s PHE 105 CO 0.02 -0.54 -0.01 -0.98 -0.05 0.00 0.00 175.22 173.66 1xne s ARG 106 N -3.07 0.66 0.27 1.99 1.70 0.14 -4.59 118.95 116.05 1xne s ARG 106 Ca -0.01 0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 54.98 1xne s ARG 106 Cb 0.01 -0.90 -0.12 0.00 -0.57 0.00 0.00 34.95 33.36 1xne s ARG 106 CO -0.07 -0.23 1.49 1.55 -1.08 0.00 0.00 175.30 176.96 1xne n VAL 107 N 4.75 1.07 -2.78 4.99 3.14 -1.26 -1.18 118.33 127.06 1xne n VAL 107 Ca -0.14 -0.27 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 1xne n VAL 107 Cb 0.50 -1.71 -0.03 0.00 -1.06 0.00 0.00 33.84 31.54 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 -0.26 4.21 0.00 6.55 1.43 -1.17 -4.79 118.68 124.65 1xne s LEU 108 Ca 0.65 -1.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1xne s LEU 108 Cb -0.57 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1xne s LEU 108 CO 0.50 -1.42 0.00 0.61 0.23 0.00 0.00 176.35 176.27 1xne n GLY 109 N 5.64 0.26 1.44 -3.19 0.00 -1.26 -4.87 105.19 103.22 1xne n GLY 109 Ca 0.11 -1.18 0.10 0.00 0.00 0.00 0.00 46.02 45.05 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 -3.53 -2.72 1.61 0.63 -1.26 -4.82 116.66 106.57 1xne n ARG 110 Ca 0.00 2.83 -0.40 0.00 -0.92 0.00 0.00 57.85 59.36 1xne n ARG 110 Cb 0.00 -3.81 -0.06 0.00 0.45 0.00 0.00 32.46 29.04 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 -6.44 7.58 0.32 6.15 1.47 -1.26 -5.04 116.67 119.44 1xne s ASP 111 Ca 0.00 1.98 -0.01 0.00 1.18 0.00 0.00 52.55 55.70 1xne s ASP 111 Cb 0.00 -2.61 -0.01 0.00 -0.34 0.00 0.00 42.92 39.96 1xne s ASP 111 CO 0.00 0.10 0.39 -0.75 0.68 0.00 0.00 175.17 175.59 1xne s LYS 112 N -1.28 1.76 0.00 2.11 2.20 -1.26 -5.21 119.74 118.07 1xne s LYS 112 Ca 0.42 -1.76 0.09 0.00 -0.36 0.00 0.00 55.97 54.36 1xne s LYS 112 Cb -0.26 0.40 0.57 0.00 -1.51 0.00 0.00 37.83 37.02 1xne s LYS 112 CO 0.32 -0.70 1.01 -1.91 -0.36 0.00 0.00 175.35 173.72