#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 2.99 -0.09 2.12 2.20 -1.26 -4.82 119.74 120.88 1xne s LYS 2 Ca 0.00 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.15 1xne s LYS 2 Cb 0.00 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1xne s LYS 2 CO 0.00 -0.36 -0.21 0.08 -0.36 0.00 0.00 175.35 174.50 1xne s VAL 3 N -2.61 1.78 -0.25 4.02 1.01 -1.25 0.19 120.40 123.29 1xne s VAL 3 Ca 0.50 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1xne s VAL 3 Cb -0.10 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.77 1xne s VAL 3 CO 0.38 0.50 -0.12 -0.31 0.00 0.00 0.00 175.10 175.56 1xne s TYR 4 N 0.42 3.17 -0.60 5.22 1.51 0.15 -4.96 117.35 122.26 1xne s TYR 4 Ca -0.17 -2.14 -0.22 0.00 -1.01 0.00 0.00 57.07 53.53 1xne s TYR 4 Cb -0.17 -1.95 0.06 0.00 -0.11 0.00 0.00 41.96 39.79 1xne s TYR 4 CO 0.07 -0.85 0.89 1.03 -1.11 0.00 0.00 175.55 175.58 1xne s ARG 5 N 1.16 3.17 -0.28 -0.62 0.52 -1.26 0.17 118.95 121.81 1xne s ARG 5 Ca -0.06 -0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 54.33 1xne s ARG 5 Cb -0.19 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.08 1xne s ARG 5 CO -0.06 -1.62 0.15 -0.51 0.02 0.00 0.00 175.30 173.28 1xne s LEU 6 N 3.72 3.87 -0.29 2.53 1.43 0.10 -4.93 118.68 125.11 1xne s LEU 6 Ca 0.23 -0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 52.93 1xne s LEU 6 Cb -0.17 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1xne s LEU 6 CO 0.13 -0.06 0.96 -0.31 0.23 0.00 0.00 176.35 177.30 1xne s TYR 7 N 1.71 3.21 0.49 0.29 2.02 -1.26 0.60 117.35 124.41 1xne s TYR 7 Ca 0.07 1.13 0.02 0.00 -0.37 0.00 0.00 57.07 57.91 1xne s TYR 7 Cb -0.16 -3.42 -0.02 0.00 -0.40 0.00 0.00 41.96 37.96 1xne s TYR 7 CO 0.08 -0.62 0.03 -0.51 -1.57 0.00 0.00 175.55 172.96 1xne s LEU 8 N 3.30 2.25 0.34 -1.29 1.02 -1.26 -4.86 118.68 118.18 1xne s LEU 8 Ca 0.40 -1.65 0.05 0.00 0.02 0.00 0.00 54.13 52.95 1xne s LEU 8 Cb -0.14 -0.61 -0.01 0.00 0.02 0.00 0.00 46.19 45.45 1xne s LEU 8 CO 0.12 -0.86 0.49 -0.75 0.02 0.00 0.00 176.35 175.37 1xne s LYS 9 N -3.84 3.16 0.31 1.70 2.20 -1.26 -4.75 119.74 117.26 1xne s LYS 9 Ca 0.10 -0.88 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 1xne s LYS 9 Cb 0.02 -2.79 0.53 0.00 -1.51 0.00 0.00 37.83 34.08 1xne s LYS 9 CO 0.06 0.06 1.84 0.22 -0.36 0.00 0.00 175.35 177.17 1xne h ASP 10 N 0.85 0.57 -0.01 1.43 3.58 -2.01 1.30 116.42 122.12 1xne h ASP 10 Ca -0.47 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 56.87 1xne h ASP 10 Cb 1.25 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 1xne h ASP 10 CO 0.55 0.64 0.01 -0.33 -2.88 0.00 0.00 179.24 177.22 1xne h GLU 11 N 0.57 0.01 0.02 0.28 4.39 -1.99 0.34 114.58 118.21 1xne h GLU 11 Ca 0.12 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 1xne h GLU 11 Cb 0.36 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1xne h GLU 11 CO 0.01 0.05 -0.36 1.88 -1.16 0.00 0.00 179.01 179.43 1xne h TYR 12 N -0.03 0.32 -0.72 4.33 0.05 -1.89 -3.29 116.97 115.75 1xne h TYR 12 Ca 0.00 -0.19 0.11 0.00 0.05 0.00 0.00 58.73 58.70 1xne h TYR 12 Cb 0.04 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 37.67 1xne h TYR 12 CO -0.06 1.04 0.33 1.25 -1.05 0.00 0.00 178.16 179.67 1xne h LEU 13 N -0.49 0.40 -1.68 3.88 5.85 0.17 0.20 115.31 123.65 1xne h LEU 13 Ca -0.05 0.07 0.34 0.00 0.84 0.00 0.00 57.88 59.09 1xne h LEU 13 Cb 1.15 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1xne h LEU 13 CO 0.07 0.21 0.82 -0.33 -0.34 0.00 0.00 178.44 178.87 1xne h GLU 14 N 0.55 0.15 -0.09 1.25 5.08 -0.38 0.42 114.58 121.56 1xne h GLU 14 Ca 0.37 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.67 1xne h GLU 14 Cb 0.44 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xne h GLU 14 CO -0.31 0.10 -0.13 0.52 -1.00 0.00 0.00 179.01 178.19 1xne h MET 15 N 0.16 0.26 -0.26 2.33 2.86 -0.70 -2.09 114.93 117.48 1xne h MET 15 Ca 0.64 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 1xne h MET 15 Cb 2.12 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.78 1xne h MET 15 CO -0.18 0.72 0.17 0.28 1.06 0.00 0.00 176.91 178.96 1xne h VAL 16 N -0.18 1.08 -0.62 -2.22 2.07 -0.14 -1.06 116.25 115.17 1xne h VAL 16 Ca 0.01 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.47 1xne h VAL 16 Cb 0.69 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 1xne h VAL 16 CO 0.03 0.07 0.25 0.50 0.02 0.00 0.00 177.57 178.45 1xne h LYS 17 N 0.34 0.43 -0.49 1.57 3.11 -0.76 0.16 116.57 120.93 1xne h LYS 17 Ca 0.09 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.92 1xne h LYS 17 Cb -0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.09 1xne h LYS 17 CO -0.02 0.29 0.32 0.66 -2.81 0.00 0.00 179.45 177.89 1xne h SER 18 N 0.44 0.55 0.00 4.20 4.64 -0.75 -3.46 113.55 119.18 1xne h SER 18 Ca 0.31 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1xne h SER 18 Cb 0.37 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xne h SER 18 CO -0.29 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1xne n GLY 19 N -1.46 2.87 0.43 -0.77 0.00 0.56 -4.93 105.19 101.88 1xne n GLY 19 Ca 0.04 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.30 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 1.90 0.31 -6.28 1.61 1.57 -1.74 -3.36 116.57 110.57 1xne h LYS 20 Ca 0.00 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.19 1xne h LYS 20 Cb 0.00 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.18 1xne h LYS 20 CO 0.00 0.21 0.87 0.21 -0.57 0.00 0.00 179.45 180.16 1xne s LYS 21 N -5.38 4.07 0.00 3.15 2.36 -1.19 -4.55 119.74 118.20 1xne s LYS 21 Ca -0.08 1.17 0.00 0.00 -2.55 0.00 0.00 55.97 54.51 1xne s LYS 21 Cb 0.24 -3.75 0.00 0.00 -1.05 0.00 0.00 37.83 33.27 1xne s LYS 21 CO 0.79 -0.90 0.00 0.54 1.55 0.00 0.00 175.35 177.34 1xne n ARG 22 N 6.88 0.00 -3.52 4.03 3.00 -1.26 -4.80 116.66 120.98 1xne n ARG 22 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.58 1xne n ARG 22 Cb 0.47 -0.49 -0.10 0.00 0.00 0.00 0.00 32.46 32.34 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 5.27 -0.38 0.55 1.09 -1.26 -2.46 121.20 122.23 1xne s ILE 23 Ca 0.00 0.34 -0.13 0.00 -1.10 0.00 0.00 60.65 59.76 1xne s ILE 23 Cb 0.00 -3.59 0.02 0.00 -1.06 0.00 0.00 42.46 37.82 1xne s ILE 23 CO 0.00 0.23 0.25 -0.70 -0.10 0.00 0.00 174.94 174.62 1xne s GLU 24 N 1.73 2.97 -0.39 2.79 2.12 0.45 -4.49 118.70 123.87 1xne s GLU 24 Ca 0.10 -1.00 -0.06 0.00 0.36 0.00 0.00 54.97 54.37 1xne s GLU 24 Cb -0.15 -3.84 0.08 0.00 0.26 0.00 0.00 34.13 30.47 1xne s GLU 24 CO 0.09 -0.69 0.20 0.08 -0.54 0.00 0.00 175.26 174.40 1xne s VAL 25 N 1.63 3.76 -0.40 3.70 1.01 -1.26 -0.93 120.40 127.91 1xne s VAL 25 Ca 0.04 -1.55 0.08 0.00 0.00 0.00 0.00 61.98 60.55 1xne s VAL 25 Cb -0.19 -3.34 0.26 0.00 0.00 0.00 0.00 36.38 33.11 1xne s VAL 25 CO 0.08 -0.47 0.58 -1.14 0.00 0.00 0.00 175.10 174.15 1xne n ARG 26 N 4.78 0.74 -0.04 2.72 0.63 -1.26 -5.06 116.66 119.17 1xne n ARG 26 Ca -0.09 -3.08 0.01 0.00 -0.92 0.00 0.00 57.85 53.77 1xne n ARG 26 Cb 0.43 -1.27 -0.00 0.00 0.45 0.00 0.00 32.46 32.06 1xne n ARG 26 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1xne n VAL 27 N 1.34 0.00 -1.47 5.15 0.24 -1.26 -4.38 118.33 117.95 1xne n VAL 27 Ca 0.20 0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.57 1xne n VAL 27 Cb 0.55 -0.01 0.15 0.00 -1.47 0.00 0.00 33.84 33.06 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 -0.09 2.84 -1.12 2.33 0.00 -1.26 -4.28 120.51 118.92 1xne n ALA 28 Ca 0.00 -2.77 -0.37 0.00 0.00 0.00 0.00 53.44 50.30 1xne n ALA 28 Cb 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.10 1xne n ALA 28 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xne n TYR 29 N -1.05 -3.67 -2.32 0.00 9.36 -1.26 -4.44 117.16 113.77 1xne n TYR 29 Ca 0.15 0.21 -0.35 0.00 3.32 0.00 0.00 57.90 61.24 1xne n TYR 29 Cb 0.70 -1.60 -0.03 0.00 -0.63 0.00 0.00 39.34 37.78 1xne n TYR 29 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1xne s PRO 30 N -1.73 3.21 0.09 2.98 0.04 -1.26 -2.86 135.00 135.47 1xne s PRO 30 Ca 0.50 -1.36 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1xne s PRO 30 Cb -0.33 -5.35 0.00 0.00 0.04 0.00 0.00 34.50 28.86 1xne s PRO 30 CO 0.73 -3.02 0.00 0.94 0.04 0.00 0.00 177.00 175.69 1xne n GLN 31 N 8.48 0.00 -0.07 4.56 0.00 -1.26 -4.95 117.38 124.15 1xne n GLN 31 Ca 0.44 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 57.38 1xne n GLN 31 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.56 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 -2.69 0.14 -0.24 1.69 4.77 -1.23 -4.18 117.00 115.26 1xne n LEU 32 Ca 0.00 0.07 0.26 0.00 -0.03 0.00 0.00 56.01 56.31 1xne n LEU 32 Cb 0.00 0.36 0.64 0.00 -2.33 0.00 0.00 43.42 42.08 1xne n LEU 32 CO 0.00 0.38 1.25 0.07 -1.33 0.00 0.00 177.39 177.76 1xne h LYS 33 N 0.00 0.17 -0.11 3.23 5.09 -1.74 1.44 116.57 124.65 1xne h LYS 33 Ca -0.41 -0.01 -0.07 0.00 0.09 0.00 0.00 60.65 60.25 1xne h LYS 33 Cb 1.97 -0.04 -0.01 0.00 0.10 0.00 0.00 32.23 34.25 1xne h LYS 33 CO 0.03 0.11 -0.27 0.22 -2.09 0.00 0.00 179.45 177.45 1xne h ASP 34 N 0.17 0.19 -2.02 7.07 1.82 -1.84 -3.44 116.42 118.37 1xne h ASP 34 Ca 0.49 -0.06 -0.58 0.00 -0.39 0.00 0.00 57.03 56.49 1xne h ASP 34 Cb 1.62 -0.05 0.20 0.00 0.68 0.00 0.00 39.33 41.79 1xne h ASP 34 CO -0.10 0.47 -1.43 0.00 -1.61 0.00 0.00 179.24 176.56 1xne n ILE 35 N -4.16 0.02 -3.92 2.25 0.13 0.49 -4.99 119.36 109.19 1xne n ILE 35 Ca -0.01 -0.50 -0.09 0.00 -1.10 0.00 0.00 62.75 61.05 1xne n ILE 35 Cb 0.37 -0.01 -0.03 0.00 -0.84 0.00 0.00 39.64 39.13 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 -1.44 1.79 0.29 9.51 -2.85 -1.26 -5.02 119.74 120.77 1xne s LYS 36 Ca 0.50 -1.24 -0.29 0.00 -1.00 0.00 0.00 55.97 53.94 1xne s LYS 36 Cb -0.37 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 35.85 1xne s LYS 36 CO 0.73 -0.79 1.31 0.50 0.10 0.00 0.00 175.35 177.20 1xne s ARG 37 N -3.58 4.37 0.00 1.78 3.00 -1.26 -2.78 118.95 120.47 1xne s ARG 37 Ca 0.18 2.17 0.00 0.00 -1.00 0.00 0.00 55.73 57.08 1xne s ARG 37 Cb -0.03 -3.11 0.00 0.00 0.00 0.00 0.00 34.95 31.81 1xne s ARG 37 CO 0.10 -0.21 0.00 0.41 0.00 0.00 0.00 175.30 175.60 1xne n GLY 38 N 1.35 2.94 3.55 8.12 0.00 -1.13 -5.02 105.19 114.99 1xne n GLY 38 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.29 -4.06 1.61 9.92 -1.12 -4.45 116.55 117.16 1xne n ASP 39 Ca 0.00 -1.27 -0.14 0.00 -0.53 0.00 0.00 54.79 52.85 1xne n ASP 39 Cb 0.00 -0.99 -0.12 0.00 -0.64 0.00 0.00 41.12 39.37 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 -5.58 0.57 0.01 -1.24 2.20 0.50 -1.82 119.74 114.39 1xne s LYS 40 Ca 0.71 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 55.67 1xne s LYS 40 Cb -0.05 -0.41 -0.02 0.00 -1.51 0.00 0.00 37.83 35.84 1xne s LYS 40 CO 0.53 0.09 -0.14 0.42 -0.36 0.00 0.00 175.35 175.88 1xne s ILE 41 N -1.14 1.15 -0.28 5.43 1.01 0.30 0.31 121.20 127.96 1xne s ILE 41 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.83 1xne s ILE 41 Cb -0.09 -0.99 0.07 0.00 0.01 0.00 0.00 42.46 41.47 1xne s ILE 41 CO 0.01 0.19 -0.05 -0.63 0.00 0.00 0.00 174.94 174.45 1xne s ILE 42 N -0.55 2.13 -0.14 2.92 -1.09 0.46 0.18 121.20 125.10 1xne s ILE 42 Ca 0.04 -1.83 -0.28 0.00 -2.23 0.00 0.00 60.65 56.35 1xne s ILE 42 Cb -0.07 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.45 1xne s ILE 42 CO 0.00 -0.22 0.97 -0.36 -1.23 0.00 0.00 174.94 174.10 1xne s PHE 43 N 1.07 3.46 -1.32 3.97 0.08 -0.15 0.02 117.98 125.11 1xne s PHE 43 Ca -0.02 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1xne s PHE 43 Cb -0.20 -3.16 0.00 0.00 -0.57 0.00 0.00 43.02 39.10 1xne s PHE 43 CO -0.06 -0.28 0.00 0.09 -0.10 0.00 0.00 175.22 174.87 1xne n ASN 44 N 5.30 -5.68 -3.59 1.36 4.13 0.20 -2.50 115.26 114.48 1xne n ASN 44 Ca 0.08 0.31 -0.26 0.00 1.68 0.00 0.00 54.58 56.39 1xne n ASN 44 Cb 0.48 -4.28 0.04 0.00 -1.54 0.00 0.00 39.78 34.48 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 -1.20 -5.69 0.00 6.41 2.03 -1.20 -4.78 116.55 112.13 1xne n ASP 45 Ca -0.12 -0.87 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1xne n ASP 45 Cb 0.61 -3.53 0.00 0.00 -0.72 0.00 0.00 41.12 37.47 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 -3.64 0.00 -4.33 -2.67 7.94 -1.04 -5.08 117.00 108.17 1xne n LEU 46 Ca -0.10 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.41 1xne n LEU 46 Cb 0.59 0.12 -0.12 0.00 0.53 0.00 0.00 43.42 44.54 1xne n LEU 46 CO 0.64 -0.12 -0.21 -0.63 -1.11 0.00 0.00 177.39 175.96 1xne s ILE 47 N -1.32 4.19 0.62 1.96 1.01 -1.06 -4.98 121.20 121.61 1xne s ILE 47 Ca 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 60.65 59.58 1xne s ILE 47 Cb 0.00 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1xne s ILE 47 CO 0.00 -0.16 1.05 -2.16 0.00 0.00 0.00 174.94 173.67 1xne s PRO 48 N 1.49 3.26 -0.01 2.79 0.04 -1.26 -0.98 135.00 140.33 1xne s PRO 48 Ca 0.01 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.98 1xne s PRO 48 Cb -0.19 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1xne s PRO 48 CO 0.05 -0.85 0.36 0.00 0.04 0.00 0.00 177.00 176.60 1xne s ALA 49 N -2.66 -0.92 0.02 8.56 0.00 0.47 -1.83 121.76 125.40 1xne s ALA 49 Ca 0.61 0.42 0.07 0.00 0.00 0.00 0.00 51.96 53.06 1xne s ALA 49 Cb -0.15 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1xne s ALA 49 CO 0.42 -0.30 -0.20 -2.00 0.00 0.00 0.00 175.76 173.68 1xne s GLU 50 N -1.51 2.09 -0.24 0.00 2.12 -0.33 0.11 118.70 120.95 1xne s GLU 50 Ca -0.12 -0.96 -0.29 0.00 0.36 0.00 0.00 54.97 53.96 1xne s GLU 50 Cb -0.04 -2.17 -0.00 0.00 0.26 0.00 0.00 34.13 32.18 1xne s GLU 50 CO 0.04 0.55 1.20 0.08 -0.54 0.00 0.00 175.26 176.59 1xne s VAL 51 N -0.85 4.35 -0.14 3.70 1.01 -0.76 0.91 120.40 128.62 1xne s VAL 51 Ca 0.13 1.59 -0.22 0.00 0.00 0.00 0.00 61.98 63.49 1xne s VAL 51 Cb -0.10 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 1xne s VAL 51 CO 0.03 -0.29 0.54 0.58 0.00 0.00 0.00 175.10 175.97 1xne h VAL 52 N 5.65 1.25 -1.49 2.92 2.07 -0.71 -3.00 116.25 122.94 1xne h VAL 52 Ca -0.24 -2.33 0.10 0.00 0.82 0.00 0.00 66.70 65.04 1xne h VAL 52 Cb 1.09 2.80 -0.25 0.00 -1.52 0.00 0.00 31.29 33.41 1xne h VAL 52 CO 1.00 0.57 0.58 -0.70 0.02 0.00 0.00 177.57 179.04 1xne s GLU 53 N -2.37 0.49 -0.04 1.57 2.56 -0.78 -4.85 118.70 115.28 1xne s GLU 53 Ca -0.22 0.24 0.05 0.00 0.00 0.00 0.00 54.97 55.05 1xne s GLU 53 Cb 0.03 0.23 -0.01 0.00 2.00 0.00 0.00 34.13 36.38 1xne s GLU 53 CO 0.70 -0.13 -0.20 0.54 -0.56 0.00 0.00 175.26 175.62 1xne s VAL 54 N -0.68 1.62 0.00 3.70 0.11 -1.26 -1.15 120.40 122.74 1xne s VAL 54 Ca 0.01 -0.85 -0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1xne s VAL 54 Cb -0.02 -1.37 -0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1xne s VAL 54 CO -0.02 0.46 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.66 1xne s LYS 55 N -0.20 0.08 0.15 1.54 3.01 -0.96 -5.00 119.74 118.36 1xne s LYS 55 Ca 0.01 -0.14 0.08 0.00 -1.01 0.00 0.00 55.97 54.91 1xne s LYS 55 Cb -0.11 0.03 -0.04 0.00 -1.01 0.00 0.00 37.83 36.70 1xne s LYS 55 CO 0.01 -0.01 -0.11 0.21 0.51 0.00 0.00 175.35 175.96 1xne s LYS 56 N -0.35 2.04 0.04 1.68 2.20 -1.26 -1.39 119.74 122.69 1xne s LYS 56 Ca -0.04 -1.19 -0.01 0.00 -0.36 0.00 0.00 55.97 54.36 1xne s LYS 56 Cb -0.02 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.11 1xne s LYS 56 CO -0.00 0.46 0.07 0.66 -0.36 0.00 0.00 175.35 176.18 1xne n TYR 57 N 0.31 -1.06 -4.45 4.03 4.01 -0.82 -4.98 117.16 114.21 1xne n TYR 57 Ca -0.12 -0.18 -0.20 0.00 -0.16 0.00 0.00 57.90 57.24 1xne n TYR 57 Cb 0.54 0.08 -0.15 0.00 -0.31 0.00 0.00 39.34 39.50 1xne n TYR 57 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1xne s GLU 58 N -2.02 0.90 0.04 -0.72 -1.05 -1.26 -4.37 118.70 110.22 1xne s GLU 58 Ca 0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 1xne s GLU 58 Cb -0.00 -0.86 0.00 0.00 -0.44 0.00 0.00 34.13 32.83 1xne s GLU 58 CO 0.01 0.20 0.00 2.41 0.95 0.00 0.00 175.26 178.83 1xne n THR 59 N 2.94 -0.69 -0.16 1.83 -1.04 -1.26 -4.14 114.28 111.76 1xne n THR 59 Ca -0.15 0.14 -0.09 0.00 -2.04 0.00 0.00 64.05 61.90 1xne n THR 59 Cb 0.56 -0.20 0.04 0.00 -1.82 0.00 0.00 70.33 68.90 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 0.06 1.09 -0.95 -1.42 -5.15 -1.97 -2.87 116.94 105.72 1xne h PHE 60 Ca 0.00 -0.23 0.10 0.00 -0.20 0.00 0.00 57.97 57.64 1xne h PHE 60 Cb 0.04 -0.27 -0.08 0.00 0.22 0.00 0.00 35.95 35.86 1xne h PHE 60 CO 0.00 1.03 0.59 0.07 -2.00 0.00 0.00 178.31 178.00 1xne h ARG 61 N 0.86 0.95 0.36 6.09 -0.00 -1.96 1.00 114.38 121.68 1xne h ARG 61 Ca 0.13 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.98 60.05 1xne h ARG 61 Cb 0.68 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.97 30.42 1xne h ARG 61 CO 0.05 0.63 -0.27 0.37 -0.00 0.00 0.00 179.97 180.75 1xne h GLN 62 N 0.98 -0.61 -0.15 0.08 5.75 -1.66 0.59 115.11 120.10 1xne h GLN 62 Ca 0.45 0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.91 1xne h GLN 62 Cb 0.37 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1xne h GLN 62 CO -0.24 -0.40 -0.26 0.28 -2.65 0.00 0.00 178.83 175.56 1xne h VAL 63 N -0.63 1.25 0.00 2.39 2.07 -1.33 0.55 116.25 120.55 1xne h VAL 63 Ca -0.03 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1xne h VAL 63 Cb 0.55 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1xne h VAL 63 CO -0.01 0.35 -0.33 -0.07 0.02 0.00 0.00 177.57 177.53 1xne h LEU 64 N 0.24 0.00 0.14 2.57 -0.00 0.17 0.12 115.31 118.55 1xne h LEU 64 Ca 0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.57 1xne h LEU 64 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.25 1xne h LEU 64 CO 0.04 0.33 -1.85 0.03 -0.00 0.00 0.00 178.44 177.00 1xne h ARG 65 N 0.00 0.31 0.35 1.13 2.47 0.11 -3.38 114.38 115.36 1xne h ARG 65 Ca -0.00 -0.52 -0.02 0.00 -1.26 0.00 0.00 59.98 58.18 1xne h ARG 65 Cb 0.62 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1xne h ARG 65 CO 0.04 1.22 -0.17 1.49 0.56 0.00 0.00 179.97 183.11 1xne h GLU 66 N 0.08 -0.45 -6.21 0.04 4.22 0.25 -3.44 114.58 109.07 1xne h GLU 66 Ca -0.37 0.03 -0.55 0.00 0.08 0.00 0.00 59.36 58.55 1xne h GLU 66 Cb 2.06 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 31.34 1xne h GLU 66 CO 0.13 -0.20 -0.57 -1.21 -2.18 0.00 0.00 179.01 174.99 1xne s GLU 67 N -5.37 2.80 0.97 1.92 0.41 0.39 -5.07 118.70 114.74 1xne s GLU 67 Ca -0.15 -1.02 -0.14 0.00 -0.41 0.00 0.00 54.97 53.24 1xne s GLU 67 Cb 0.03 -2.53 0.18 0.00 -1.78 0.00 0.00 34.13 30.03 1xne s GLU 67 CO 0.59 0.44 1.17 -1.25 -0.49 0.00 0.00 175.26 175.72 1xne s PRO 68 N -3.44 0.63 -0.10 0.39 0.04 -1.26 -4.42 135.00 126.83 1xne s PRO 68 Ca 0.31 0.09 0.15 0.00 0.04 0.00 0.00 61.00 61.59 1xne s PRO 68 Cb -0.09 -1.80 -0.22 0.00 0.04 0.00 0.00 34.50 32.44 1xne s PRO 68 CO 0.23 -2.51 0.17 -0.89 0.04 0.00 0.00 177.00 174.05 1xne n ILE 69 N -3.94 0.65 0.17 0.56 5.41 -1.26 -3.69 119.36 117.26 1xne n ILE 69 Ca 0.09 -0.55 0.02 0.00 1.00 0.00 0.00 62.75 63.32 1xne n ILE 69 Cb 0.59 -0.32 0.36 0.00 -0.71 0.00 0.00 39.64 39.57 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 0.07 0.00 4.38 2.03 -1.91 -1.56 116.42 119.44 1xne h ASP 70 Ca -0.26 -0.02 -0.00 0.00 -0.73 0.00 0.00 57.03 56.02 1xne h ASP 70 Cb 1.49 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.97 1xne h ASP 70 CO 0.01 0.39 -0.10 0.11 -1.03 0.00 0.00 179.24 178.62 1xne h LYS 71 N 0.07 0.00 -0.97 4.15 1.79 -1.80 -3.35 116.57 116.46 1xne h LYS 71 Ca 0.01 0.00 0.25 0.00 -2.18 0.00 0.00 60.65 58.73 1xne h LYS 71 Cb 0.58 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.05 1xne h LYS 71 CO 0.04 0.03 -0.00 0.82 -1.08 0.00 0.00 179.45 179.25 1xne h ILE 72 N -1.00 0.05 -3.96 1.86 2.04 -1.63 -3.37 117.51 111.51 1xne h ILE 72 Ca -0.00 -0.01 -0.31 0.00 1.00 0.00 0.00 64.86 65.55 1xne h ILE 72 Cb 0.12 0.03 -0.23 0.00 -0.74 0.00 0.00 36.82 36.00 1xne h ILE 72 CO -0.00 0.00 -0.75 -0.36 0.00 0.00 0.00 178.15 177.05 1xne s PHE 73 N -6.05 0.70 0.21 1.37 0.08 -0.59 -4.84 117.98 108.87 1xne s PHE 73 Ca -0.13 -0.40 0.08 0.00 0.12 0.00 0.00 56.93 56.60 1xne s PHE 73 Cb 0.28 -0.42 0.15 0.00 -0.57 0.00 0.00 43.02 42.46 1xne s PHE 73 CO 0.78 -0.05 1.49 -1.00 -0.10 0.00 0.00 175.22 176.33 1xne h PRO 74 N 4.83 0.03 0.00 0.24 0.13 -1.78 -2.86 132.00 132.60 1xne h PRO 74 Ca -0.35 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xne h PRO 74 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xne h PRO 74 CO 0.43 0.77 0.00 -0.25 -0.23 0.00 0.00 178.00 178.72 1xne n ASP 75 N -3.66 0.60 -3.75 1.44 8.00 -1.26 -4.84 116.55 113.07 1xne n ASP 75 Ca -0.01 0.76 -0.26 0.00 0.71 0.00 0.00 54.79 55.99 1xne n ASP 75 Cb 0.73 -0.85 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1xne n ASP 75 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1xne n LYS 76 N -2.29 -0.67 -0.08 -1.24 -0.00 -1.08 -4.89 118.16 107.91 1xne n LYS 76 Ca -0.01 0.06 -0.02 0.00 -0.00 0.00 0.00 58.31 58.34 1xne n LYS 76 Cb 0.06 -1.29 0.01 0.00 -0.00 0.00 0.00 35.03 33.81 1xne n LYS 76 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1xne n PRO 77 N -3.02 -0.60 -3.92 -1.58 -0.04 -1.26 -4.91 135.00 119.68 1xne n PRO 77 Ca -0.12 -0.11 -0.24 0.00 -0.04 0.00 0.00 63.50 62.99 1xne n PRO 77 Cb 0.39 -0.09 -0.03 0.00 -0.04 0.00 0.00 33.50 33.74 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 -1.47 6.33 0.34 3.54 0.01 -1.26 -4.86 113.70 116.34 1xne s SER 78 Ca 0.04 0.16 0.11 0.00 1.31 0.00 0.00 55.95 57.57 1xne s SER 78 Cb -0.00 -1.90 0.91 0.00 0.21 0.00 0.00 66.02 65.23 1xne s SER 78 CO 0.03 -0.01 1.77 0.15 0.41 0.00 0.00 173.24 175.59 1xne h PHE 79 N 1.72 0.89 -0.08 2.43 3.04 -1.98 1.46 116.94 124.44 1xne h PHE 79 Ca -0.50 0.03 -0.23 0.00 3.98 0.00 0.00 57.97 61.25 1xne h PHE 79 Cb 1.21 -0.26 0.01 0.00 2.56 0.00 0.00 35.95 39.46 1xne h PHE 79 CO 0.50 0.14 -0.87 1.49 -2.02 0.00 0.00 178.31 177.56 1xne h GLU 80 N 0.59 0.64 -0.14 1.11 4.81 -1.98 -2.02 114.58 117.58 1xne h GLU 80 Ca 0.59 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1xne h GLU 80 Cb 1.16 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1xne h GLU 80 CO -0.36 1.20 -0.10 -0.22 -0.73 0.00 0.00 179.01 178.80 1xne h LYS 81 N 0.41 0.32 -0.62 1.92 3.64 -0.98 -1.91 116.57 119.35 1xne h LYS 81 Ca -0.07 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.19 1xne h LYS 81 Cb 1.49 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.28 1xne h LYS 81 CO 0.17 0.68 0.41 0.00 -2.27 0.00 0.00 179.45 178.44 1xne h ALA 82 N 0.63 1.68 -0.26 5.00 0.00 0.18 0.27 119.26 126.75 1xne h ALA 82 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xne h ALA 82 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xne h ALA 82 CO 0.03 0.26 -0.21 1.25 0.00 0.00 0.00 179.25 180.57 1xne h LEU 83 N 0.72 0.48 -0.09 0.00 6.46 -1.15 -1.79 115.31 119.94 1xne h LEU 83 Ca 0.25 -0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.76 1xne h LEU 83 Cb 0.09 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1xne h LEU 83 CO -0.07 0.71 -0.30 0.50 -0.62 0.00 0.00 178.44 178.66 1xne h LYS 84 N 0.44 0.37 -0.95 1.25 3.64 -0.07 -3.16 116.57 118.08 1xne h LYS 84 Ca 0.07 -0.27 0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1xne h LYS 84 Cb 0.62 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1xne h LYS 84 CO 0.04 0.89 0.58 -0.09 -2.27 0.00 0.00 179.45 178.60 1xne h ARG 85 N -0.09 0.86 -2.26 1.90 1.12 -0.37 -0.01 114.38 115.53 1xne h ARG 85 Ca -0.01 -0.05 -0.45 0.00 -1.11 0.00 0.00 59.98 58.36 1xne h ARG 85 Cb 0.93 -0.19 -0.09 0.00 -0.01 0.00 0.00 29.97 30.60 1xne h ARG 85 CO 0.06 0.57 0.98 1.19 -3.11 0.00 0.00 179.97 179.66 1xne n PHE 86 N -4.69 1.28 0.00 2.20 3.01 -0.69 -3.69 117.46 114.88 1xne n PHE 86 Ca 0.18 -2.10 0.00 0.00 1.01 0.00 0.00 57.45 56.54 1xne n PHE 86 Cb 0.37 -1.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.12 1xne n PHE 86 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1xne n HIS 87 N 2.06 -0.75 -0.09 1.38 -0.00 -0.82 -4.97 115.22 112.04 1xne n HIS 87 Ca 0.54 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.66 1xne n HIS 87 Cb 0.59 0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.61 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 -0.34 -2.62 0.26 -0.73 -1.10 -3.38 115.58 107.66 1xne h ASN 88 Ca 0.00 0.10 -0.47 0.00 1.87 0.00 0.00 56.30 57.80 1xne h ASN 88 Cb 0.00 0.22 0.23 0.00 0.27 0.00 0.00 38.32 39.04 1xne h ASN 88 CO 0.00 -0.12 -0.91 0.23 -0.37 0.00 0.00 177.43 176.26 1xne n MET 89 N -5.28 -1.34 -1.28 6.67 2.81 -1.24 -4.49 117.12 112.97 1xne n MET 89 Ca 0.01 -0.37 -0.32 0.00 -1.81 0.00 0.00 57.70 55.21 1xne n MET 89 Cb 0.20 -1.76 -0.14 0.00 -0.71 0.00 0.00 33.22 30.80 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 -4.26 0.38 0.07 2.03 4.11 -1.26 -4.76 117.16 113.46 1xne n TYR 90 Ca 0.02 0.26 -0.07 0.00 -0.00 0.00 0.00 57.90 58.11 1xne n TYR 90 Cb 0.60 -1.69 -0.04 0.00 -0.00 0.00 0.00 39.34 38.20 1xne n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.86 175.86 1xne h PRO 91 N 10.06 -0.27 -3.37 -3.48 0.13 -1.79 -3.50 132.00 129.79 1xne h PRO 91 Ca -0.03 0.02 0.36 0.00 -0.87 0.00 0.00 66.00 65.48 1xne h PRO 91 Cb 1.09 0.06 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 1xne h PRO 91 CO 1.23 -0.03 -1.04 1.17 -0.23 0.00 0.00 178.00 179.10 1xne n LYS 92 N -4.95 -3.16 -1.58 0.86 4.81 -1.26 -4.67 118.16 108.21 1xne n LYS 92 Ca -0.05 2.46 -0.51 0.00 -0.87 0.00 0.00 58.31 59.34 1xne n LYS 92 Cb 0.18 -3.74 -0.05 0.00 0.02 0.00 0.00 35.03 31.44 1xne n LYS 92 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1xne n TRP 93 N -4.29 1.33 -3.51 5.64 5.03 -1.26 -4.90 117.44 115.48 1xne n TRP 93 Ca -0.06 0.69 -0.01 0.00 3.03 0.00 0.00 57.50 61.15 1xne n TRP 93 Cb 0.67 -2.29 0.01 0.00 -1.03 0.00 0.00 31.31 28.67 1xne n TRP 93 CO 0.00 0.00 0.00 0.36 -0.03 0.00 0.00 177.69 178.02 1xne n LYS 94 N 2.12 0.23 -3.32 -0.99 2.85 -1.26 -5.17 118.16 112.62 1xne n LYS 94 Ca 0.17 -0.50 0.03 0.00 -1.05 0.00 0.00 58.31 56.96 1xne n LYS 94 Cb 0.21 0.66 -0.04 0.00 -0.65 0.00 0.00 35.03 35.21 1xne n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1xne s GLU 95 N -2.02 0.24 0.30 -1.58 2.02 -1.26 -5.15 118.70 111.25 1xne s GLU 95 Ca 0.07 0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.63 1xne s GLU 95 Cb -0.01 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.56 1xne s GLU 95 CO 0.02 -0.12 0.00 0.66 0.02 0.00 0.00 175.26 175.84 1xne n TYR 96 N 5.01 -2.97 -0.67 1.61 4.01 -1.26 -4.77 117.16 118.11 1xne n TYR 96 Ca -0.08 1.50 -0.31 0.00 -0.16 0.00 0.00 57.90 58.84 1xne n TYR 96 Cb 0.53 -2.70 0.17 0.00 -0.31 0.00 0.00 39.34 37.03 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 -3.61 -0.47 -3.61 -0.72 3.00 -1.26 -5.04 116.66 104.94 1xne n ARG 97 Ca 0.00 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.85 57.74 1xne n ARG 97 Cb 0.64 -2.36 -0.06 0.00 0.00 0.00 0.00 32.46 30.68 1xne n ARG 97 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 1xne s TYR 98 N -2.63 -0.72 -0.01 -1.55 5.04 -1.26 -5.03 117.35 111.19 1xne s TYR 98 Ca 0.67 1.40 -0.00 0.00 -2.44 0.00 0.00 57.07 56.70 1xne s TYR 98 Cb -0.23 0.43 0.00 0.00 0.35 0.00 0.00 41.96 42.51 1xne s TYR 98 CO 0.58 -0.36 0.00 0.41 -1.34 0.00 0.00 175.55 174.85 1xne n GLY 99 N 4.07 -2.89 2.75 8.97 0.00 -1.26 -4.87 105.19 111.97 1xne n GLY 99 Ca -0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1xne n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xne s VAL 100 N -0.03 1.77 -0.03 1.61 1.01 -1.26 -4.27 120.40 119.20 1xne s VAL 100 Ca -0.00 -3.03 0.02 0.00 0.00 0.00 0.00 61.98 58.96 1xne s VAL 100 Cb 0.00 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1xne s VAL 100 CO 0.02 -0.94 -0.05 -0.22 0.00 0.00 0.00 175.10 173.90 1xne s LEU 101 N -0.15 1.62 -0.34 3.92 0.20 -1.26 -1.94 118.68 120.72 1xne s LEU 101 Ca 0.21 -0.13 -0.02 0.00 0.69 0.00 0.00 54.13 54.88 1xne s LEU 101 Cb -0.17 -0.41 0.07 0.00 -0.43 0.00 0.00 46.19 45.25 1xne s LEU 101 CO -0.06 0.00 0.07 0.00 -0.29 0.00 0.00 176.35 176.08 1xne s ALA 102 N 0.46 2.94 -0.14 5.97 0.00 -0.48 -4.13 121.76 126.37 1xne s ALA 102 Ca -0.06 -2.08 -0.14 0.00 0.00 0.00 0.00 51.96 49.68 1xne s ALA 102 Cb -0.10 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 1xne s ALA 102 CO 0.00 -1.48 0.31 0.42 0.00 0.00 0.00 175.76 175.01 1xne s ILE 103 N 1.19 5.28 -0.24 0.00 1.01 -0.10 -2.27 121.20 126.07 1xne s ILE 103 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1xne s ILE 103 Cb -0.21 -3.65 0.04 0.00 0.01 0.00 0.00 42.46 38.65 1xne s ILE 103 CO -0.03 0.40 -0.11 -0.54 0.00 0.00 0.00 174.94 174.67 1xne s LYS 104 N 0.33 2.68 0.14 2.79 1.02 -0.30 0.17 119.74 126.57 1xne s LYS 104 Ca 0.18 -1.06 0.06 0.00 0.02 0.00 0.00 55.97 55.16 1xne s LYS 104 Cb -0.13 -2.86 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1xne s LYS 104 CO 0.05 -0.41 -0.13 -0.59 -0.92 0.00 0.00 175.35 173.35 1xne s PHE 105 N 1.25 1.40 -0.23 3.18 -0.12 -1.03 0.04 117.98 122.47 1xne s PHE 105 Ca -0.02 -0.63 0.02 0.00 -0.05 0.00 0.00 56.93 56.25 1xne s PHE 105 Cb -0.17 -0.71 0.05 0.00 -0.63 0.00 0.00 43.02 41.56 1xne s PHE 105 CO -0.07 0.16 -0.12 1.03 -0.05 0.00 0.00 175.22 176.17 1xne s ARG 106 N -3.22 2.31 -0.11 1.99 0.52 0.26 -4.74 118.95 115.96 1xne s ARG 106 Ca 0.14 -1.09 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 1xne s ARG 106 Cb -0.02 -2.69 -0.07 0.00 0.52 0.00 0.00 34.95 32.70 1xne s ARG 106 CO 0.03 -0.46 2.12 1.55 0.02 0.00 0.00 175.30 178.56 1xne n VAL 107 N 4.55 0.53 -2.13 3.52 3.14 -1.26 -1.18 118.33 125.49 1xne n VAL 107 Ca -0.16 -0.32 -0.43 0.00 -2.96 0.00 0.00 64.34 60.47 1xne n VAL 107 Cb 0.45 -2.46 -0.02 0.00 -1.06 0.00 0.00 33.84 30.75 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 6.66 3.69 0.00 6.55 1.43 -0.76 -4.06 118.68 132.19 1xne s LEU 108 Ca 0.96 1.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 1xne s LEU 108 Cb -0.38 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1xne s LEU 108 CO 0.38 -1.45 0.00 0.61 0.23 0.00 0.00 176.35 176.12 1xne n GLY 109 N 5.01 -0.91 3.49 -3.19 0.00 -1.26 -4.61 105.19 103.72 1xne n GLY 109 Ca 0.20 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.88 -2.57 1.61 0.63 -1.26 -4.92 116.66 109.27 1xne n ARG 110 Ca 0.00 -0.21 -0.41 0.00 -0.92 0.00 0.00 57.85 56.31 1xne n ARG 110 Cb 0.00 -2.06 -0.04 0.00 0.45 0.00 0.00 32.46 30.81 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 -2.26 7.33 1.08 6.15 1.47 -1.26 -5.01 116.67 124.17 1xne s ASP 111 Ca 0.62 2.03 -0.18 0.00 1.18 0.00 0.00 52.55 56.19 1xne s ASP 111 Cb -0.21 -2.60 0.10 0.00 -0.34 0.00 0.00 42.92 39.87 1xne s ASP 111 CO 0.64 -0.17 -0.06 2.29 0.68 0.00 0.00 175.17 178.55 1xne n LYS 112 N 2.39 -1.71 0.00 2.11 2.85 -1.26 -5.17 118.16 117.37 1xne n LYS 112 Ca 0.02 -0.49 0.03 0.00 -1.05 0.00 0.00 58.31 56.83 1xne n LYS 112 Cb 0.47 -1.56 0.21 0.00 -0.65 0.00 0.00 35.03 33.50 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44