#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 3.65 -0.10 2.12 1.02 -1.26 -4.73 119.74 120.44 1xne s LYS 2 Ca 0.00 0.42 0.03 0.00 0.02 0.00 0.00 55.97 56.44 1xne s LYS 2 Cb 0.00 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1xne s LYS 2 CO 0.00 -0.22 -0.19 0.08 -0.92 0.00 0.00 175.35 174.10 1xne s VAL 3 N -2.70 2.54 -0.14 3.17 1.01 -1.25 0.15 120.40 123.18 1xne s VAL 3 Ca 0.51 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.64 1xne s VAL 3 Cb -0.10 -2.01 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1xne s VAL 3 CO 0.42 0.55 -0.18 -0.31 0.00 0.00 0.00 175.10 175.58 1xne s TYR 4 N 0.15 2.72 -1.14 5.22 1.51 -0.05 -4.97 117.35 120.79 1xne s TYR 4 Ca -0.10 -1.07 -0.10 0.00 -1.01 0.00 0.00 57.07 54.79 1xne s TYR 4 Cb -0.16 -1.84 0.25 0.00 -0.11 0.00 0.00 41.96 40.11 1xne s TYR 4 CO 0.06 -0.47 1.25 0.54 -1.11 0.00 0.00 175.55 175.82 1xne n ARG 5 N 3.92 3.58 -2.44 -0.62 1.74 -1.26 0.18 116.66 121.76 1xne n ARG 5 Ca -0.19 -4.29 -0.43 0.00 -0.77 0.00 0.00 57.85 52.17 1xne n ARG 5 Cb 0.52 -2.68 -0.02 0.00 -1.02 0.00 0.00 32.46 29.26 1xne n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xne s LEU 6 N -0.67 4.24 -0.31 0.55 1.43 0.05 -4.81 118.68 119.16 1xne s LEU 6 Ca 0.34 1.77 -0.27 0.00 -1.03 0.00 0.00 54.13 54.95 1xne s LEU 6 Cb -0.06 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.62 1xne s LEU 6 CO -0.04 -0.66 0.96 -0.31 0.23 0.00 0.00 176.35 176.52 1xne s TYR 7 N 2.76 3.17 0.24 0.29 1.51 -1.26 0.89 117.35 124.95 1xne s TYR 7 Ca 0.56 1.04 0.10 0.00 -1.01 0.00 0.00 57.07 57.75 1xne s TYR 7 Cb -0.24 -3.49 -0.05 0.00 -0.11 0.00 0.00 41.96 38.07 1xne s TYR 7 CO 0.19 -0.68 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.27 1xne s LEU 8 N 3.36 2.57 0.47 -1.29 1.02 -1.26 -4.88 118.68 118.68 1xne s LEU 8 Ca 0.40 -1.02 -0.05 0.00 0.02 0.00 0.00 54.13 53.48 1xne s LEU 8 Cb -0.13 -0.87 -0.03 0.00 0.02 0.00 0.00 46.19 45.18 1xne s LEU 8 CO 0.14 -0.07 0.77 -0.54 0.02 0.00 0.00 176.35 176.67 1xne s LYS 9 N -3.56 3.52 0.40 1.70 1.02 -1.26 -4.73 119.74 116.84 1xne s LYS 9 Ca 0.26 0.15 0.09 0.00 0.02 0.00 0.00 55.97 56.49 1xne s LYS 9 Cb -0.03 -2.39 0.88 0.00 -0.52 0.00 0.00 37.83 35.77 1xne s LYS 9 CO 0.10 -0.19 1.98 0.22 -0.92 0.00 0.00 175.35 176.54 1xne h ASP 10 N 0.25 0.51 0.57 2.83 1.82 -2.01 1.46 116.42 121.85 1xne h ASP 10 Ca -0.47 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.14 1xne h ASP 10 Cb 1.21 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 41.12 1xne h ASP 10 CO 0.62 0.33 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.97 1xne h GLU 11 N 0.58 -0.73 -0.63 0.28 3.07 -1.99 0.18 114.58 115.33 1xne h GLU 11 Ca 0.27 0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.12 1xne h GLU 11 Cb 0.32 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 1xne h GLU 11 CO -0.08 -0.43 0.15 1.88 -1.40 0.00 0.00 179.01 179.13 1xne h TYR 12 N -1.06 1.07 -0.62 4.33 0.05 -1.83 -2.75 116.97 116.15 1xne h TYR 12 Ca -0.08 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.61 1xne h TYR 12 Cb 0.65 -0.30 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 1xne h TYR 12 CO 0.01 0.89 0.37 1.25 -1.05 0.00 0.00 178.16 179.63 1xne h LEU 13 N 0.94 0.60 -0.77 3.88 5.85 0.20 -2.08 115.31 123.93 1xne h LEU 13 Ca 0.20 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.09 1xne h LEU 13 Cb 0.37 -0.12 -0.14 0.00 0.37 0.00 0.00 40.66 41.13 1xne h LEU 13 CO 0.00 0.41 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.07 1xne h GLU 14 N 0.73 0.03 -0.71 1.25 5.08 -0.64 0.48 114.58 120.80 1xne h GLU 14 Ca 0.25 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.68 1xne h GLU 14 Cb 0.05 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1xne h GLU 14 CO -0.12 0.02 0.40 0.52 -1.00 0.00 0.00 179.01 178.83 1xne h MET 15 N 0.03 0.71 -0.49 2.33 2.86 -1.37 0.28 114.93 119.28 1xne h MET 15 Ca 0.39 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.96 1xne h MET 15 Cb 0.64 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1xne h MET 15 CO -0.75 0.47 0.18 0.28 1.06 0.00 0.00 176.91 178.15 1xne h VAL 16 N 0.73 1.19 0.00 -2.22 2.07 -0.02 -0.75 116.25 117.25 1xne h VAL 16 Ca 0.32 -0.61 -0.13 0.00 0.82 0.00 0.00 66.70 67.10 1xne h VAL 16 Cb 0.20 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1xne h VAL 16 CO -0.19 0.24 -0.61 0.11 0.02 0.00 0.00 177.57 177.14 1xne h LYS 17 N 0.70 0.00 0.00 1.57 1.79 0.93 -2.70 116.57 118.86 1xne h LYS 17 Ca 0.17 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.56 1xne h LYS 17 Cb 0.17 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.81 1xne h LYS 17 CO -0.01 0.61 -0.38 0.66 -1.08 0.00 0.00 179.45 179.24 1xne h SER 18 N 0.00 0.00 0.00 0.86 4.64 0.87 -3.47 113.55 116.46 1xne h SER 18 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xne h SER 18 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1xne h SER 18 CO 0.08 0.38 0.00 0.61 -0.87 0.00 0.00 176.83 177.03 1xne n GLY 19 N -0.04 2.51 0.19 -0.77 0.00 -0.62 -4.93 105.19 101.53 1xne n GLY 19 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 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 2.65 0.50 -6.15 1.61 1.79 -1.78 -3.38 116.57 111.81 1xne h LYS 20 Ca 0.00 -0.03 -0.57 0.00 -2.18 0.00 0.00 60.65 57.87 1xne h LYS 20 Cb 0.00 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1xne h LYS 20 CO 0.00 0.33 1.35 0.21 -1.08 0.00 0.00 179.45 180.26 1xne s LYS 21 N -6.14 3.17 0.00 3.15 2.47 -1.15 -4.66 119.74 116.58 1xne s LYS 21 Ca -0.13 1.50 0.00 0.00 -1.56 0.00 0.00 55.97 55.78 1xne s LYS 21 Cb 0.13 -4.27 0.00 0.00 -1.46 0.00 0.00 37.83 32.23 1xne s LYS 21 CO 0.73 -2.05 0.00 -2.13 0.16 0.00 0.00 175.35 172.06 1xne n ARG 22 N 8.59 0.00 -4.02 4.03 3.00 -1.25 -4.75 116.66 122.26 1xne n ARG 22 Ca 0.25 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.75 1xne n ARG 22 Cb 0.47 -0.54 -0.13 0.00 0.00 0.00 0.00 32.46 32.27 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 -1.76 3.99 -0.31 5.15 1.01 -1.26 -2.38 121.20 125.65 1xne s ILE 23 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 1xne s ILE 23 Cb 0.00 -2.82 0.04 0.00 0.01 0.00 0.00 42.46 39.70 1xne s ILE 23 CO 0.00 0.42 0.03 -1.83 0.00 0.00 0.00 174.94 173.56 1xne s GLU 24 N 1.10 2.58 -0.32 2.79 -1.05 -0.56 -4.10 118.70 119.14 1xne s GLU 24 Ca 0.03 -1.18 -0.09 0.00 -0.15 0.00 0.00 54.97 53.58 1xne s GLU 24 Cb -0.14 -3.25 0.01 0.00 -0.44 0.00 0.00 34.13 30.30 1xne s GLU 24 CO 0.02 -0.59 0.14 0.54 0.95 0.00 0.00 175.26 176.31 1xne s VAL 25 N 1.32 4.30 -0.45 1.83 0.11 -1.26 -2.80 120.40 123.46 1xne s VAL 25 Ca -0.03 -0.68 0.05 0.00 -2.93 0.00 0.00 61.98 58.39 1xne s VAL 25 Cb -0.19 -3.27 0.18 0.00 -1.53 0.00 0.00 36.38 31.56 1xne s VAL 25 CO -0.00 -0.02 0.52 -0.60 -3.33 0.00 0.00 175.10 171.67 1xne s ARG 26 N 1.54 0.93 0.56 1.54 6.06 -1.25 -5.00 118.95 123.32 1xne s ARG 26 Ca 0.03 -1.38 0.00 0.00 -2.50 0.00 0.00 55.73 51.87 1xne s ARG 26 Cb -0.18 -0.67 0.00 0.00 0.06 0.00 0.00 34.95 34.17 1xne s ARG 26 CO 0.05 -1.32 0.00 1.33 -2.50 0.00 0.00 175.30 172.85 1xne n VAL 27 N 3.20 0.00 -2.43 7.11 0.24 -1.26 -4.52 118.33 120.67 1xne n VAL 27 Ca 0.21 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.53 1xne n VAL 27 Cb 0.51 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.94 1xne n VAL 27 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xne n ALA 28 N 0.21 2.76 -0.61 2.33 0.00 -1.26 -4.18 120.51 119.75 1xne n ALA 28 Ca 0.00 -2.67 -0.31 0.00 0.00 0.00 0.00 53.44 50.47 1xne n ALA 28 Cb 0.00 -0.69 0.20 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.06 -0.96 -2.32 0.00 4.02 -1.26 -4.68 117.16 111.89 1xne n TYR 29 Ca 0.10 0.08 -0.35 0.00 -0.01 0.00 0.00 57.90 57.72 1xne n TYR 29 Cb 0.99 -1.73 -0.03 0.00 -0.02 0.00 0.00 39.34 38.55 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 -4.07 3.20 0.24 -0.72 0.04 -1.26 -3.49 135.00 128.94 1xne s PRO 30 Ca 0.63 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1xne s PRO 30 Cb -0.21 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 28.99 1xne s PRO 30 CO 0.65 -3.00 0.00 0.94 0.04 0.00 0.00 177.00 175.62 1xne n GLN 31 N 8.51 0.00 -0.27 4.56 -0.06 -1.26 -4.96 117.38 123.91 1xne n GLN 31 Ca 0.44 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.46 1xne n GLN 31 Cb 0.47 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.68 1xne n GLN 31 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xne n LEU 32 N -3.05 0.73 0.19 1.69 -0.00 -1.26 -4.74 117.00 110.56 1xne n LEU 32 Ca 0.00 -1.40 0.07 0.00 -0.00 0.00 0.00 56.01 54.68 1xne n LEU 32 Cb 0.00 -0.10 0.22 0.00 -0.00 0.00 0.00 43.42 43.53 1xne n LEU 32 CO 0.00 0.34 0.67 0.07 -0.00 0.00 0.00 177.39 178.46 1xne h LYS 33 N 0.00 0.00 0.00 1.47 5.09 -1.83 -2.94 116.57 118.36 1xne h LYS 33 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 60.65 60.61 1xne h LYS 33 Cb 1.16 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.47 1xne h LYS 33 CO 0.00 0.29 -0.71 0.22 -2.09 0.00 0.00 179.45 177.16 1xne h ASP 34 N 0.00 0.00 -2.09 7.07 3.58 -1.85 -3.47 116.42 119.66 1xne h ASP 34 Ca -0.00 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.91 1xne h ASP 34 Cb 1.07 0.00 0.24 0.00 1.72 0.00 0.00 39.33 42.36 1xne h ASP 34 CO 0.04 0.56 -1.77 0.00 -2.88 0.00 0.00 179.24 175.19 1xne n ILE 35 N -3.18 0.00 -3.84 2.25 3.06 -1.11 -5.00 119.36 111.54 1xne n ILE 35 Ca -0.00 -0.40 -0.05 0.00 -2.50 0.00 0.00 62.75 59.80 1xne n ILE 35 Cb 0.77 -0.10 0.01 0.00 0.54 0.00 0.00 39.64 40.87 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 -2.25 1.58 0.39 9.51 -2.85 -1.26 -4.84 119.74 120.01 1xne s LYS 36 Ca 0.42 -1.00 -0.27 0.00 -1.00 0.00 0.00 55.97 54.12 1xne s LYS 36 Cb -0.15 0.46 -0.11 0.00 -2.06 0.00 0.00 37.83 35.97 1xne s LYS 36 CO 0.79 -0.74 1.44 -2.13 0.10 0.00 0.00 175.35 174.80 1xne n ARG 37 N -0.61 2.49 0.00 1.78 0.63 -1.26 -2.52 116.66 117.17 1xne n ARG 37 Ca -0.05 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 57.75 1xne n ARG 37 Cb 0.60 -2.59 0.00 0.00 0.45 0.00 0.00 32.46 30.91 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 0.54 2.28 2.91 5.14 0.00 -1.18 -5.01 105.19 109.87 1xne n GLY 38 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.74 -4.02 1.61 9.92 -1.05 -4.33 116.55 117.95 1xne n ASP 39 Ca 0.00 -1.23 -0.17 0.00 -0.53 0.00 0.00 54.79 52.86 1xne n ASP 39 Cb 0.00 -0.80 -0.14 0.00 -0.64 0.00 0.00 41.12 39.55 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 -5.14 0.60 -0.08 -1.24 2.20 0.40 -2.40 119.74 114.08 1xne s LYS 40 Ca 0.58 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1xne s LYS 40 Cb -0.03 -0.55 0.01 0.00 -1.51 0.00 0.00 37.83 35.75 1xne s LYS 40 CO 0.42 0.14 -0.14 0.42 -0.36 0.00 0.00 175.35 175.84 1xne s ILE 41 N -0.45 1.31 -0.24 5.43 1.01 0.49 -0.87 121.20 127.87 1xne s ILE 41 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.07 1xne s ILE 41 Cb -0.05 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1xne s ILE 41 CO 0.00 0.40 -0.04 -0.63 0.00 0.00 0.00 174.94 174.67 1xne s ILE 42 N 0.78 3.15 -0.19 2.92 -1.09 0.47 0.18 121.20 127.43 1xne s ILE 42 Ca -0.12 -0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 57.25 1xne s ILE 42 Cb -0.16 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 1xne s ILE 42 CO 0.02 0.27 0.83 -0.36 -1.23 0.00 0.00 174.94 174.48 1xne s PHE 43 N 1.40 3.39 -0.68 3.97 0.08 0.13 -0.77 117.98 125.50 1xne s PHE 43 Ca 0.03 1.22 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1xne s PHE 43 Cb -0.16 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1xne s PHE 43 CO -0.04 -0.29 0.00 0.09 -0.10 0.00 0.00 175.22 174.88 1xne n ASN 44 N 5.47 -5.35 -3.64 1.36 3.02 0.26 -2.19 115.26 114.19 1xne n ASN 44 Ca 0.05 0.16 -0.20 0.00 -0.03 0.00 0.00 54.58 54.55 1xne n ASN 44 Cb 0.48 -3.41 0.05 0.00 -0.61 0.00 0.00 39.78 36.29 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 -0.83 -1.42 0.00 6.41 2.03 -1.22 -4.80 116.55 116.72 1xne n ASP 45 Ca -0.06 -0.78 0.00 0.00 0.52 0.00 0.00 54.79 54.47 1xne n ASP 45 Cb 0.47 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.58 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 -4.23 0.00 -4.44 -2.67 7.94 -0.93 -5.06 117.00 107.61 1xne n LEU 46 Ca -0.30 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.19 1xne n LEU 46 Cb 0.68 0.21 -0.10 0.00 0.53 0.00 0.00 43.42 44.74 1xne n LEU 46 CO 0.67 -0.46 -0.11 -0.63 -1.11 0.00 0.00 177.39 175.75 1xne s ILE 47 N -1.92 5.03 0.53 1.96 1.01 -1.05 -4.96 121.20 121.80 1xne s ILE 47 Ca 0.00 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1xne s ILE 47 Cb 0.00 -3.77 -0.07 0.00 0.01 0.00 0.00 42.46 38.64 1xne s ILE 47 CO 0.00 -0.24 1.04 -2.16 0.00 0.00 0.00 174.94 173.58 1xne s PRO 48 N 1.64 3.63 -0.03 2.79 0.04 -1.26 -0.69 135.00 141.12 1xne s PRO 48 Ca 0.04 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.19 1xne s PRO 48 Cb -0.19 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1xne s PRO 48 CO 0.09 -0.56 0.36 0.00 0.04 0.00 0.00 177.00 176.93 1xne s ALA 49 N -2.20 -0.93 0.07 8.56 0.00 0.49 -0.72 121.76 127.04 1xne s ALA 49 Ca 0.65 0.52 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1xne s ALA 49 Cb -0.16 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 1xne s ALA 49 CO 0.27 -0.27 0.04 -2.00 0.00 0.00 0.00 175.76 173.80 1xne s GLU 50 N -1.18 2.74 -0.34 0.00 2.12 0.61 0.18 118.70 122.84 1xne s GLU 50 Ca -0.12 -0.73 -0.28 0.00 0.36 0.00 0.00 54.97 54.20 1xne s GLU 50 Cb -0.04 -2.65 0.02 0.00 0.26 0.00 0.00 34.13 31.71 1xne s GLU 50 CO 0.05 0.57 1.01 0.08 -0.54 0.00 0.00 175.26 176.42 1xne s VAL 51 N -1.31 4.55 -0.08 3.70 1.01 -1.01 0.15 120.40 127.41 1xne s VAL 51 Ca 0.26 1.51 -0.26 0.00 0.00 0.00 0.00 61.98 63.50 1xne s VAL 51 Cb -0.12 -4.37 -0.24 0.00 0.00 0.00 0.00 36.38 31.65 1xne s VAL 51 CO 0.19 -0.49 0.97 0.58 0.00 0.00 0.00 175.10 176.35 1xne h VAL 52 N 5.76 1.61 -1.26 2.92 2.07 0.25 -3.12 116.25 124.48 1xne h VAL 52 Ca -0.22 -2.00 0.15 0.00 0.82 0.00 0.00 66.70 65.46 1xne h VAL 52 Cb 1.07 2.92 -0.30 0.00 -1.52 0.00 0.00 31.29 33.47 1xne h VAL 52 CO 1.01 0.53 0.74 -0.70 0.02 0.00 0.00 177.57 179.17 1xne s GLU 53 N -2.94 0.23 -0.06 1.57 2.56 -0.85 -4.71 118.70 114.51 1xne s GLU 53 Ca -0.17 0.22 0.05 0.00 0.00 0.00 0.00 54.97 55.07 1xne s GLU 53 Cb -0.00 0.11 -0.01 0.00 2.00 0.00 0.00 34.13 36.23 1xne s GLU 53 CO 0.72 -0.04 -0.22 0.08 -0.56 0.00 0.00 175.26 175.23 1xne s VAL 54 N -0.15 1.86 0.04 3.70 1.01 -1.26 -0.76 120.40 124.84 1xne s VAL 54 Ca 0.06 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1xne s VAL 54 Cb -0.04 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1xne s VAL 54 CO -0.10 0.52 0.05 -0.54 0.00 0.00 0.00 175.10 175.03 1xne s LYS 55 N -0.01 0.56 0.02 2.72 -0.14 -0.99 -4.91 119.74 117.00 1xne s LYS 55 Ca -0.06 -0.83 0.07 0.00 -1.36 0.00 0.00 55.97 53.78 1xne s LYS 55 Cb -0.14 0.21 -0.02 0.00 -1.68 0.00 0.00 37.83 36.20 1xne s LYS 55 CO 0.04 -0.13 -0.20 0.21 -0.76 0.00 0.00 175.35 174.51 1xne s LYS 56 N -2.73 1.45 0.06 1.68 2.20 -1.26 -2.53 119.74 118.61 1xne s LYS 56 Ca -0.04 -0.84 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1xne s LYS 56 Cb -0.01 -1.50 -0.01 0.00 -1.51 0.00 0.00 37.83 34.81 1xne s LYS 56 CO -0.05 0.39 0.05 0.66 -0.36 0.00 0.00 175.35 176.04 1xne n TYR 57 N 2.13 -0.14 -4.38 4.03 4.02 -1.26 -5.02 117.16 116.54 1xne n TYR 57 Ca -0.16 -0.53 -0.27 0.00 -0.01 0.00 0.00 57.90 56.92 1xne n TYR 57 Cb 0.53 0.05 -0.13 0.00 -0.02 0.00 0.00 39.34 39.78 1xne n TYR 57 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1xne s GLU 58 N -2.26 1.31 -0.01 -0.72 -1.05 -1.26 -4.77 118.70 109.94 1xne s GLU 58 Ca 0.07 -1.26 -0.01 0.00 -0.15 0.00 0.00 54.97 53.62 1xne s GLU 58 Cb 0.00 -1.70 0.01 0.00 -0.44 0.00 0.00 34.13 32.00 1xne s GLU 58 CO 0.05 0.40 0.03 2.41 0.95 0.00 0.00 175.26 179.10 1xne n THR 59 N 1.03-12.75 -0.19 1.83 -1.04 -1.26 -3.99 114.28 97.91 1xne n THR 59 Ca -0.19 2.95 0.30 0.00 -2.04 0.00 0.00 64.05 65.07 1xne n THR 59 Cb 0.53 -5.99 0.67 0.00 -1.82 0.00 0.00 70.33 63.72 1xne n THR 59 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 1xne h PHE 60 N 3.99 0.00 -0.42 -1.42 -5.15 -1.84 0.79 116.94 112.88 1xne h PHE 60 Ca -0.07 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.64 1xne h PHE 60 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.30 1xne h PHE 60 CO 0.00 0.00 0.02 -0.09 -2.00 0.00 0.00 178.31 176.24 1xne h ARG 61 N 0.00 0.73 -0.20 6.09 1.12 -1.92 -2.66 114.38 117.55 1xne h ARG 61 Ca 0.46 -0.22 0.01 0.00 -1.11 0.00 0.00 59.98 59.11 1xne h ARG 61 Cb 2.21 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 32.08 1xne h ARG 61 CO -0.00 0.80 0.11 0.37 -3.11 0.00 0.00 179.97 178.14 1xne h GLN 62 N 0.58 0.23 -0.57 0.20 -0.00 0.48 -0.67 115.11 115.36 1xne h GLN 62 Ca 0.12 -0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.92 1xne h GLN 62 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 1xne h GLN 62 CO 0.02 0.15 0.41 0.28 0.00 0.00 0.00 178.83 179.69 1xne h VAL 63 N 0.24 0.73 0.00 2.39 2.07 -1.39 1.03 116.25 121.31 1xne h VAL 63 Ca 0.08 -0.01 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 1xne h VAL 63 Cb 0.00 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1xne h VAL 63 CO -0.04 0.01 -0.66 -0.07 0.02 0.00 0.00 177.57 176.83 1xne h LEU 64 N 0.03 0.00 0.19 2.57 4.07 -0.79 0.30 115.31 121.67 1xne h LEU 64 Ca 0.27 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.91 1xne h LEU 64 Cb 1.04 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.80 1xne h LEU 64 CO -0.01 0.66 -1.51 0.03 -1.08 0.00 0.00 178.44 176.52 1xne h ARG 65 N 0.00 0.40 0.24 1.13 2.47 0.14 -3.38 114.38 115.38 1xne h ARG 65 Ca -0.01 -0.68 -0.01 0.00 -1.26 0.00 0.00 59.98 58.02 1xne h ARG 65 Cb 1.17 0.25 0.00 0.00 -1.65 0.00 0.00 29.97 29.74 1xne h ARG 65 CO 0.09 1.33 -0.12 0.93 0.56 0.00 0.00 179.97 182.76 1xne h GLU 66 N -0.01 -0.31 -6.41 0.04 4.39 0.67 -3.45 114.58 109.50 1xne h GLU 66 Ca -0.29 0.02 -0.48 0.00 0.34 0.00 0.00 59.36 58.95 1xne h GLU 66 Cb 2.01 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 1xne h GLU 66 CO 0.18 0.05 -0.26 -1.21 -1.16 0.00 0.00 179.01 176.61 1xne s GLU 67 N -3.72 3.49 0.98 2.33 0.41 0.11 -5.07 118.70 117.23 1xne s GLU 67 Ca -0.12 -0.41 -0.15 0.00 -0.41 0.00 0.00 54.97 53.89 1xne s GLU 67 Cb 0.01 -2.73 0.18 0.00 -1.78 0.00 0.00 34.13 29.81 1xne s GLU 67 CO 0.46 0.25 1.17 -1.25 -0.49 0.00 0.00 175.26 175.39 1xne s PRO 68 N -4.07 0.54 -0.06 0.39 0.04 -1.26 -4.34 135.00 126.24 1xne s PRO 68 Ca 0.39 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1xne s PRO 68 Cb -0.10 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1xne s PRO 68 CO 0.33 -2.56 -0.05 -0.89 0.04 0.00 0.00 177.00 173.87 1xne n ILE 69 N -3.97 0.32 0.06 0.56 5.41 -1.26 -4.19 119.36 116.29 1xne n ILE 69 Ca 0.10 -0.12 0.19 0.00 1.00 0.00 0.00 62.75 63.92 1xne n ILE 69 Cb 0.59 -0.71 0.72 0.00 -0.71 0.00 0.00 39.64 39.53 1xne n ILE 69 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1xne h ASP 70 N -0.00 0.00 0.00 4.38 3.04 -1.88 0.23 116.42 122.18 1xne h ASP 70 Ca -0.12 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.67 1xne h ASP 70 Cb 1.19 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.48 1xne h ASP 70 CO -0.02 0.00 -0.00 0.11 -2.04 0.00 0.00 179.24 177.29 1xne h LYS 71 N 0.00 0.00 -0.86 4.15 1.57 -1.85 -3.33 116.57 116.24 1xne h LYS 71 Ca 0.20 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.20 1xne h LYS 71 Cb 0.86 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.02 1xne h LYS 71 CO -0.00 0.43 0.08 0.82 -0.57 0.00 0.00 179.45 180.20 1xne h ILE 72 N -1.00 0.23 -3.97 1.86 2.04 -1.50 -3.33 117.51 111.85 1xne h ILE 72 Ca -0.00 -0.04 -0.33 0.00 1.00 0.00 0.00 64.86 65.49 1xne h ILE 72 Cb 0.43 0.12 -0.24 0.00 -0.74 0.00 0.00 36.82 36.39 1xne h ILE 72 CO -0.00 0.02 -0.75 -0.36 0.00 0.00 0.00 178.15 177.06 1xne s PHE 73 N -6.03 0.77 -0.05 1.37 0.08 -0.01 -4.73 117.98 109.39 1xne s PHE 73 Ca -0.13 -0.37 0.23 0.00 0.12 0.00 0.00 56.93 56.78 1xne s PHE 73 Cb 0.25 -0.46 0.67 0.00 -0.57 0.00 0.00 43.02 42.91 1xne s PHE 73 CO 0.77 -0.03 1.72 -1.00 -0.10 0.00 0.00 175.22 176.57 1xne h PRO 74 N 4.92 0.00 0.00 0.24 0.13 -1.79 -2.73 132.00 132.78 1xne h PRO 74 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1xne h PRO 74 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xne h PRO 74 CO 0.43 0.21 0.00 -0.25 -0.23 0.00 0.00 178.00 178.17 1xne n ASP 75 N -3.25 0.55 -3.90 1.44 9.92 -1.26 -4.89 116.55 115.16 1xne n ASP 75 Ca 0.01 0.66 -0.34 0.00 -0.53 0.00 0.00 54.79 54.59 1xne n ASP 75 Cb 0.50 -0.77 0.01 0.00 -0.64 0.00 0.00 41.12 40.23 1xne n ASP 75 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1xne n LYS 76 N -2.13 -0.78 -1.54 -1.24 2.85 -1.03 -4.89 118.16 109.40 1xne n LYS 76 Ca 0.02 0.31 -0.29 0.00 -1.05 0.00 0.00 58.31 57.29 1xne n LYS 76 Cb 0.18 -2.08 0.13 0.00 -0.65 0.00 0.00 35.03 32.61 1xne n LYS 76 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1xne s PRO 77 N -6.14 1.30 0.43 -1.58 0.04 -1.26 -4.90 135.00 122.88 1xne s PRO 77 Ca 0.25 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.60 1xne s PRO 77 Cb -0.14 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 1xne s PRO 77 CO 0.86 -2.10 0.71 -1.12 0.04 0.00 0.00 177.00 175.39 1xne s SER 78 N -4.00 6.29 0.36 6.66 0.01 -1.26 -4.76 113.70 117.01 1xne s SER 78 Ca 0.63 0.80 0.16 0.00 1.31 0.00 0.00 55.95 58.85 1xne s SER 78 Cb -0.15 -2.19 1.07 0.00 0.21 0.00 0.00 66.02 64.96 1xne s SER 78 CO 0.53 -0.47 1.72 0.15 0.41 0.00 0.00 173.24 175.58 1xne h PHE 79 N 0.49 0.82 -0.03 2.43 3.04 -1.97 1.36 116.94 123.08 1xne h PHE 79 Ca -0.48 0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.35 1xne h PHE 79 Cb 1.21 -0.23 0.01 0.00 2.56 0.00 0.00 35.95 39.50 1xne h PHE 79 CO 0.56 -0.02 -0.59 1.49 -2.02 0.00 0.00 178.31 177.73 1xne h GLU 80 N 0.40 0.46 -0.35 1.11 4.81 -1.98 -0.07 114.58 118.97 1xne h GLU 80 Ca 0.67 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1xne h GLU 80 Cb 1.58 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.06 1xne h GLU 80 CO -0.44 1.10 0.15 -0.22 -0.73 0.00 0.00 179.01 178.87 1xne h LYS 81 N -0.00 0.51 -0.09 1.92 3.11 -0.88 0.10 116.57 121.24 1xne h LYS 81 Ca -0.06 -0.09 -0.09 0.00 -2.81 0.00 0.00 60.65 57.60 1xne h LYS 81 Cb 1.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 1xne h LYS 81 CO 0.12 0.49 -0.33 0.00 -2.81 0.00 0.00 179.45 176.92 1xne h ALA 82 N 1.00 1.28 0.07 5.00 0.00 0.16 0.87 119.26 127.63 1xne h ALA 82 Ca 0.12 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xne h ALA 82 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xne h ALA 82 CO -0.01 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.96 1xne h LEU 83 N 0.15 -0.08 -0.45 0.00 7.12 -0.31 -0.19 115.31 121.56 1xne h LEU 83 Ca 0.02 -0.24 -0.17 0.00 0.13 0.00 0.00 57.88 57.62 1xne h LEU 83 Cb 0.67 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.81 1xne h LEU 83 CO 0.05 0.20 -0.58 0.50 -0.13 0.00 0.00 178.44 178.47 1xne h LYS 84 N -0.36 0.60 -0.79 1.25 3.64 -0.63 -2.65 116.57 117.63 1xne h LYS 84 Ca -0.01 -0.40 0.06 0.00 -1.27 0.00 0.00 60.65 59.04 1xne h LYS 84 Cb 0.31 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 1xne h LYS 84 CO 0.02 1.01 0.47 -0.09 -2.27 0.00 0.00 179.45 178.59 1xne h ARG 85 N 0.45 0.84 -0.54 1.90 9.65 0.88 -0.48 114.38 127.07 1xne h ARG 85 Ca 0.00 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1xne h ARG 85 Cb 1.14 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 1xne h ARG 85 CO 0.11 0.55 -0.10 0.74 2.80 0.00 0.00 179.97 184.08 1xne h PHE 86 N 0.86 1.13 -0.74 2.20 -1.00 -0.92 -2.66 116.94 115.82 1xne h PHE 86 Ca 0.35 -0.23 -0.44 0.00 2.81 0.00 0.00 57.97 60.46 1xne h PHE 86 Cb 0.18 -0.28 -0.22 0.00 3.61 0.00 0.00 35.95 39.23 1xne h PHE 86 CO -0.05 1.04 0.57 0.72 -1.61 0.00 0.00 178.31 178.98 1xne n HIS 87 N -4.15 2.32 0.01 -0.55 8.25 -0.65 -4.30 115.22 116.15 1xne n HIS 87 Ca 0.02 -1.99 -0.00 0.00 -0.26 0.00 0.00 57.72 55.48 1xne n HIS 87 Cb 0.39 -0.98 -0.00 0.00 1.12 0.00 0.00 29.99 30.52 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 -0.50 0.38 -4.49 0.41 2.85 -0.28 -4.95 115.26 108.68 1xne n ASN 88 Ca 0.45 0.05 -0.50 0.00 -0.11 0.00 0.00 54.58 54.47 1xne n ASN 88 Cb 1.00 -0.14 -0.04 0.00 1.24 0.00 0.00 39.78 41.83 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 -2.85 0.44 -1.49 1.20 2.81 -1.21 -4.52 117.12 111.50 1xne n MET 89 Ca -0.00 0.15 -0.42 0.00 -1.81 0.00 0.00 57.70 55.63 1xne n MET 89 Cb 0.01 -1.44 -0.15 0.00 -0.71 0.00 0.00 33.22 30.94 1xne n MET 89 CO 0.00 0.00 0.00 2.48 1.51 0.00 0.00 175.97 179.96 1xne n TYR 90 N 0.75 0.60 0.00 2.03 4.11 -1.26 -4.81 117.16 118.58 1xne n TYR 90 Ca 0.17 0.39 0.00 0.00 -0.00 0.00 0.00 57.90 58.46 1xne n TYR 90 Cb 0.22 -2.38 0.00 0.00 -0.00 0.00 0.00 39.34 37.18 1xne n TYR 90 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.86 176.51 1xne n PRO 91 N 8.47 0.00 0.00 -3.48 -0.04 -1.26 -5.05 135.00 133.64 1xne n PRO 91 Ca 0.65 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1xne n PRO 91 Cb 0.04 -0.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1xne n PRO 91 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1xne n LYS 92 N -1.44 0.00 -2.90 0.54 4.81 -1.26 -5.08 118.16 112.84 1xne n LYS 92 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1xne n LYS 92 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1xne n LYS 92 CO 0.00 0.00 0.00 -0.46 1.17 0.00 0.00 177.40 178.11 1xne s TRP 93 N -0.35 -0.66 -1.73 5.64 -0.00 -1.26 -4.94 118.94 115.64 1xne s TRP 93 Ca 0.00 0.14 -0.16 0.00 -0.00 0.00 0.00 56.10 56.08 1xne s TRP 93 Cb 0.00 0.12 0.15 0.00 -0.00 0.00 0.00 33.47 33.74 1xne s TRP 93 CO 0.00 -0.44 0.56 1.17 -0.00 0.00 0.00 176.95 178.24 1xne n LYS 94 N 4.01 -1.90 -3.19 5.86 4.81 -1.26 -4.88 118.16 121.61 1xne n LYS 94 Ca 0.07 0.24 0.01 0.00 -0.87 0.00 0.00 58.31 57.76 1xne n LYS 94 Cb 0.61 -4.67 -0.02 0.00 0.02 0.00 0.00 35.03 30.97 1xne n LYS 94 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1xne s GLU 95 N -7.09 0.52 -0.18 1.64 2.56 -1.26 -5.15 118.70 109.74 1xne s GLU 95 Ca 0.60 0.61 -0.29 0.00 0.00 0.00 0.00 54.97 55.90 1xne s GLU 95 Cb -0.34 0.19 0.11 0.00 2.00 0.00 0.00 34.13 36.09 1xne s GLU 95 CO 0.97 -0.89 0.94 1.52 -0.56 0.00 0.00 175.26 177.25 1xne s TYR 96 N 2.77 -0.46 0.00 5.30 -0.85 -1.26 -4.34 117.35 118.51 1xne s TYR 96 Ca 0.13 0.91 0.00 0.00 -0.52 0.00 0.00 57.07 57.59 1xne s TYR 96 Cb -0.12 0.41 0.00 0.00 0.38 0.00 0.00 41.96 42.63 1xne s TYR 96 CO -0.24 -0.35 0.00 2.89 -1.52 0.00 0.00 175.55 176.32 1xne n ARG 97 N 1.23 0.00 -0.22 -3.49 1.85 -1.26 -5.15 116.66 109.62 1xne n ARG 97 Ca -0.12 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.52 1xne n ARG 97 Cb 0.57 0.00 0.20 0.00 -1.05 0.00 0.00 32.46 32.18 1xne n ARG 97 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 1xne n TYR 98 N 0.00 -3.07 -0.06 2.89 0.18 -1.26 -4.71 117.16 111.12 1xne n TYR 98 Ca 0.00 -0.47 0.00 0.00 1.88 0.00 0.00 57.90 59.31 1xne n TYR 98 Cb 0.00 -0.98 0.00 0.00 -0.38 0.00 0.00 39.34 37.98 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xne n GLY 99 N -3.57 0.72 3.08 -7.48 0.00 -1.26 -4.91 105.19 91.77 1xne n GLY 99 Ca 0.09 -1.10 0.04 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.37 -0.27 1.61 0.11 -1.26 -3.75 120.40 116.47 1xne s VAL 100 Ca 0.00 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 1xne s VAL 100 Cb 0.00 -0.28 0.08 0.00 -1.53 0.00 0.00 36.38 34.65 1xne s VAL 100 CO 0.00 0.00 0.66 -0.22 -3.33 0.00 0.00 175.10 172.21 1xne s LEU 101 N 2.70 -0.87 -0.26 2.54 1.98 -1.26 -4.13 118.68 119.39 1xne s LEU 101 Ca 0.23 1.45 -0.00 0.00 -2.89 0.00 0.00 54.13 52.92 1xne s LEU 101 Cb -0.02 2.27 0.04 0.00 0.66 0.00 0.00 46.19 49.14 1xne s LEU 101 CO -0.21 -0.23 -0.06 0.00 -1.89 0.00 0.00 176.35 173.95 1xne s ALA 102 N 1.69 2.68 -0.14 5.97 0.00 -1.05 -3.88 121.76 127.03 1xne s ALA 102 Ca -0.10 -1.60 -0.03 0.00 0.00 0.00 0.00 51.96 50.23 1xne s ALA 102 Cb -0.06 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1xne s ALA 102 CO -0.19 -1.00 -0.04 0.42 0.00 0.00 0.00 175.76 174.95 1xne s ILE 103 N 1.25 3.91 -0.22 0.00 1.01 -1.12 -2.33 121.20 123.69 1xne s ILE 103 Ca -0.03 -0.36 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1xne s ILE 103 Cb -0.18 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1xne s ILE 103 CO -0.04 0.52 -0.08 -0.54 0.00 0.00 0.00 174.94 174.79 1xne s LYS 104 N 0.11 3.19 0.05 2.79 1.02 0.06 -1.49 119.74 125.46 1xne s LYS 104 Ca -0.01 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.28 1xne s LYS 104 Cb -0.14 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1xne s LYS 104 CO 0.03 -0.24 -0.10 -0.59 -0.92 0.00 0.00 175.35 173.52 1xne s PHE 105 N 1.41 0.89 -0.23 3.18 -0.12 -1.00 0.94 117.98 123.04 1xne s PHE 105 Ca 0.05 -0.43 0.01 0.00 -0.05 0.00 0.00 56.93 56.50 1xne s PHE 105 Cb -0.14 -0.52 0.04 0.00 -0.63 0.00 0.00 43.02 41.76 1xne s PHE 105 CO -0.06 -0.02 -0.12 0.50 -0.05 0.00 0.00 175.22 175.47 1xne s ARG 106 N -1.43 2.66 0.14 1.99 3.52 0.39 -4.73 118.95 121.50 1xne s ARG 106 Ca -0.05 -1.07 -0.32 0.00 -0.13 0.00 0.00 55.73 54.16 1xne s ARG 106 Cb -0.09 -2.83 -0.12 0.00 -1.56 0.00 0.00 34.95 30.35 1xne s ARG 106 CO 0.01 -0.41 1.75 1.55 -0.81 0.00 0.00 175.30 177.40 1xne n VAL 107 N 4.57 0.19 -3.12 7.11 3.14 -1.26 -0.28 118.33 128.67 1xne n VAL 107 Ca -0.17 -0.03 -0.40 0.00 -2.96 0.00 0.00 64.34 60.77 1xne n VAL 107 Cb 0.46 -1.94 -0.06 0.00 -1.06 0.00 0.00 33.84 31.24 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 1.97 4.06 0.00 6.55 1.43 0.10 -4.61 118.68 128.18 1xne s LEU 108 Ca 0.80 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 1xne s LEU 108 Cb -0.55 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 42.84 1xne s LEU 108 CO 0.37 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1xne n GLY 109 N 4.18 1.16 3.17 -3.19 0.00 -1.26 -4.49 105.19 104.75 1xne n GLY 109 Ca -0.01 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 0.02 -2.86 1.61 0.63 -1.26 -4.89 116.66 109.91 1xne n ARG 110 Ca 0.00 0.02 -0.37 0.00 -0.92 0.00 0.00 57.85 56.57 1xne n ARG 110 Cb 0.00 -1.16 -0.06 0.00 0.45 0.00 0.00 32.46 31.69 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 -1.13 7.31 1.14 6.15 1.47 -1.26 -5.02 116.67 125.33 1xne s ASP 111 Ca 0.50 1.75 -0.17 0.00 1.18 0.00 0.00 52.55 55.80 1xne s ASP 111 Cb -0.31 -2.54 0.20 0.00 -0.34 0.00 0.00 42.92 39.93 1xne s ASP 111 CO 0.73 -0.01 0.36 2.29 0.68 0.00 0.00 175.17 179.23 1xne n LYS 112 N 0.74 -2.58 0.00 2.11 2.85 -1.26 -5.02 118.16 114.99 1xne n LYS 112 Ca 0.00 -0.76 0.08 0.00 -1.05 0.00 0.00 58.31 56.59 1xne n LYS 112 Cb 0.50 -1.65 0.07 0.00 -0.65 0.00 0.00 35.03 33.30 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44