#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 3.12 -0.06 2.12 3.01 -1.26 -4.88 119.74 121.79 1xne s LYS 2 Ca 0.00 -0.89 0.04 0.00 -1.01 0.00 0.00 55.97 54.11 1xne s LYS 2 Cb 0.00 -2.71 -0.02 0.00 -1.01 0.00 0.00 37.83 34.08 1xne s LYS 2 CO 0.00 0.44 -0.16 0.08 0.51 0.00 0.00 175.35 176.21 1xne s VAL 3 N -1.98 2.85 -0.23 3.17 1.01 -1.25 0.19 120.40 124.15 1xne s VAL 3 Ca 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1xne s VAL 3 Cb -0.09 -2.12 0.06 0.00 0.00 0.00 0.00 36.38 34.24 1xne s VAL 3 CO 0.26 0.58 -0.03 -0.31 0.00 0.00 0.00 175.10 175.60 1xne s TYR 4 N -0.45 2.18 -0.64 5.22 1.51 0.13 -4.95 117.35 120.35 1xne s TYR 4 Ca 0.05 -1.64 -0.22 0.00 -1.01 0.00 0.00 57.07 54.25 1xne s TYR 4 Cb -0.12 -1.53 0.08 0.00 -0.11 0.00 0.00 41.96 40.28 1xne s TYR 4 CO 0.02 -0.76 0.92 1.03 -1.11 0.00 0.00 175.55 175.65 1xne s ARG 5 N 1.47 3.10 -0.24 -0.62 0.52 -1.26 0.13 118.95 122.06 1xne s ARG 5 Ca -0.04 -0.91 -0.13 0.00 -0.52 0.00 0.00 55.73 54.13 1xne s ARG 5 Cb -0.19 -4.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.01 1xne s ARG 5 CO -0.07 -1.76 0.26 -0.51 0.02 0.00 0.00 175.30 173.24 1xne s LEU 6 N 3.81 4.11 -0.32 2.53 1.43 0.50 -4.90 118.68 125.84 1xne s LEU 6 Ca 0.20 0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 53.27 1xne s LEU 6 Cb -0.18 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1xne s LEU 6 CO 0.10 -0.02 1.03 -0.31 0.23 0.00 0.00 176.35 177.38 1xne s TYR 7 N 1.34 3.16 0.49 0.29 1.51 -1.26 0.77 117.35 123.65 1xne s TYR 7 Ca 0.12 1.14 0.02 0.00 -1.01 0.00 0.00 57.07 57.34 1xne s TYR 7 Cb -0.14 -3.62 -0.01 0.00 -0.11 0.00 0.00 41.96 38.07 1xne s TYR 7 CO 0.07 -0.74 0.04 -0.51 -1.11 0.00 0.00 175.55 173.30 1xne s LEU 8 N 3.55 2.18 0.13 -1.29 1.02 -1.26 -4.88 118.68 118.14 1xne s LEU 8 Ca 0.44 -1.68 0.04 0.00 0.02 0.00 0.00 54.13 52.94 1xne s LEU 8 Cb -0.12 -0.54 -0.04 0.00 0.02 0.00 0.00 46.19 45.50 1xne s LEU 8 CO 0.15 -0.90 0.16 -0.75 0.02 0.00 0.00 176.35 175.03 1xne s LYS 9 N -3.83 3.05 0.29 1.70 2.20 -1.26 -4.79 119.74 117.10 1xne s LYS 9 Ca 0.09 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1xne s LYS 9 Cb 0.01 -2.76 0.64 0.00 -1.51 0.00 0.00 37.83 34.21 1xne s LYS 9 CO 0.06 0.52 1.79 -0.44 -0.36 0.00 0.00 175.35 176.92 1xne h ASP 10 N 2.61 0.79 0.01 1.43 5.19 -2.01 1.56 116.42 126.00 1xne h ASP 10 Ca -0.47 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1xne h ASP 10 Cb 1.19 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 1xne h ASP 10 CO 0.66 0.34 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.65 1xne h GLU 11 N 0.82 -0.22 -0.05 3.56 4.39 -1.99 0.63 114.58 121.72 1xne h GLU 11 Ca 0.53 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.21 1xne h GLU 11 Cb 0.72 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1xne h GLU 11 CO -0.34 -0.15 -0.12 1.88 -1.16 0.00 0.00 179.01 179.12 1xne h TYR 12 N -0.23 0.22 -0.81 4.33 0.05 -1.52 -3.20 116.97 115.81 1xne h TYR 12 Ca 0.04 -0.08 0.12 0.00 0.05 0.00 0.00 58.73 58.86 1xne h TYR 12 Cb 0.28 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.90 1xne h TYR 12 CO -0.18 0.73 0.42 1.25 -1.05 0.00 0.00 178.16 179.32 1xne h LEU 13 N -0.36 0.53 -0.79 3.88 5.85 0.23 -0.70 115.31 123.96 1xne h LEU 13 Ca -0.00 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.97 1xne h LEU 13 Cb 0.72 -0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 1xne h LEU 13 CO 0.03 0.26 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.97 1xne h GLU 14 N 0.65 0.04 -0.76 1.25 5.08 0.29 0.60 114.58 121.73 1xne h GLU 14 Ca 0.42 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.80 1xne h GLU 14 Cb 0.53 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1xne h GLU 14 CO -0.32 0.03 0.49 0.52 -1.00 0.00 0.00 179.01 178.72 1xne h MET 15 N 0.04 0.93 -0.18 2.33 2.86 -1.19 0.23 114.93 119.96 1xne h MET 15 Ca 0.41 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.98 1xne h MET 15 Cb 0.70 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1xne h MET 15 CO -0.76 0.62 0.06 0.28 1.06 0.00 0.00 176.91 178.17 1xne h VAL 16 N 0.96 1.18 -0.81 -2.22 2.07 0.13 -2.10 116.25 115.45 1xne h VAL 16 Ca 0.30 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.30 1xne h VAL 16 Cb -0.02 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1xne h VAL 16 CO -0.10 0.17 0.52 0.50 0.02 0.00 0.00 177.57 178.68 1xne h LYS 17 N 0.12 0.97 -0.04 1.57 3.11 0.38 0.10 116.57 122.78 1xne h LYS 17 Ca 0.06 -0.06 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1xne h LYS 17 Cb 0.21 -0.22 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1xne h LYS 17 CO -0.00 0.64 0.04 0.66 -2.81 0.00 0.00 179.45 177.98 1xne h SER 18 N 1.00 0.00 0.00 4.20 4.64 -0.21 -3.45 113.55 119.73 1xne h SER 18 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1xne h SER 18 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1xne h SER 18 CO -0.12 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.45 1xne n GLY 19 N -1.40 3.40 0.27 -0.77 0.00 0.36 -4.91 105.19 102.15 1xne n GLY 19 Ca -0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 2.62 0.50 -6.29 1.61 1.57 -1.71 -3.36 116.57 111.52 1xne h LYS 20 Ca 0.00 -0.03 -0.55 0.00 -1.87 0.00 0.00 60.65 58.20 1xne h LYS 20 Cb 0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1xne h LYS 20 CO 0.00 0.33 1.21 0.21 -0.57 0.00 0.00 179.45 180.63 1xne s LYS 21 N -6.04 3.20 0.00 3.15 2.36 -0.97 -4.69 119.74 116.75 1xne s LYS 21 Ca -0.12 0.90 0.00 0.00 -2.55 0.00 0.00 55.97 54.19 1xne s LYS 21 Cb 0.19 -4.19 0.00 0.00 -1.05 0.00 0.00 37.83 32.78 1xne s LYS 21 CO 0.76 -2.03 0.00 0.54 1.55 0.00 0.00 175.35 176.17 1xne n ARG 22 N 8.60 0.00 -4.16 4.03 5.12 -1.25 -4.70 116.66 124.30 1xne n ARG 22 Ca 0.18 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.76 1xne n ARG 22 Cb 0.49 -0.91 -0.12 0.00 -1.16 0.00 0.00 32.46 30.76 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 -1.89 4.13 -0.33 0.55 1.01 -1.26 -2.16 121.20 121.26 1xne s ILE 23 Ca 0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.33 1xne s ILE 23 Cb 0.00 -2.85 0.03 0.00 0.01 0.00 0.00 42.46 39.65 1xne s ILE 23 CO 0.00 0.45 0.09 -0.70 0.00 0.00 0.00 174.94 174.78 1xne s GLU 24 N 0.68 2.72 -0.07 2.79 2.56 0.50 -4.17 118.70 123.71 1xne s GLU 24 Ca 0.00 -1.11 0.04 0.00 0.00 0.00 0.00 54.97 53.90 1xne s GLU 24 Cb -0.14 -3.42 0.00 0.00 2.00 0.00 0.00 34.13 32.57 1xne s GLU 24 CO 0.02 -0.61 -0.18 0.08 -0.56 0.00 0.00 175.26 174.01 1xne s VAL 25 N 1.42 1.53 0.08 3.70 1.01 -1.26 -1.74 120.40 125.14 1xne s VAL 25 Ca -0.01 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1xne s VAL 25 Cb -0.19 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 34.85 1xne s VAL 25 CO 0.02 0.44 0.00 -1.14 0.00 0.00 0.00 175.10 174.43 1xne n ARG 26 N 3.48 0.00 -4.04 2.72 0.63 -1.25 -5.02 116.66 113.17 1xne n ARG 26 Ca -0.20 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.59 1xne n ARG 26 Cb 0.52 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.41 1xne n ARG 26 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1xne s VAL 27 N -1.18 0.00 -0.12 5.15 -7.23 -1.26 -4.38 120.40 111.38 1xne s VAL 27 Ca 0.00 -1.49 0.15 0.00 -1.81 0.00 0.00 61.98 58.83 1xne s VAL 27 Cb 0.00 -2.72 0.36 0.00 0.56 0.00 0.00 36.38 34.59 1xne s VAL 27 CO 0.00 0.00 1.17 0.00 -0.31 0.00 0.00 175.10 175.96 1xne n ALA 28 N -0.58 2.92 -1.19 1.32 0.00 -1.26 -4.36 120.51 117.35 1xne n ALA 28 Ca -0.01 -2.71 -0.38 0.00 0.00 0.00 0.00 53.44 50.34 1xne n ALA 28 Cb 0.61 -0.48 0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.61 -3.09 -2.31 0.00 9.36 -1.26 -4.42 117.16 114.83 1xne n TYR 29 Ca 0.13 0.31 -0.35 0.00 3.32 0.00 0.00 57.90 61.32 1xne n TYR 29 Cb 0.81 -1.67 -0.04 0.00 -0.63 0.00 0.00 39.34 37.81 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 -1.58 3.07 0.00 2.98 0.04 -1.26 -2.79 135.00 135.45 1xne s PRO 30 Ca 0.54 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1xne s PRO 30 Cb -0.39 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.06 1xne s PRO 30 CO 0.69 -2.73 0.00 0.94 0.04 0.00 0.00 177.00 175.94 1xne n GLN 31 N 8.93 0.00 -0.08 4.56 0.00 -1.26 -4.96 117.38 124.57 1xne n GLN 31 Ca 0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 57.00 57.23 1xne n GLN 31 Cb 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.64 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 0.00 1.72 -0.30 1.69 4.32 -1.21 -4.41 117.00 118.81 1xne n LEU 32 Ca 0.00 -0.05 0.31 0.00 -0.02 0.00 0.00 56.01 56.24 1xne n LEU 32 Cb 0.00 -0.21 0.68 0.00 -1.62 0.00 0.00 43.42 42.27 1xne n LEU 32 CO 0.00 0.60 1.28 0.07 -1.22 0.00 0.00 177.39 178.12 1xne h LYS 33 N 0.00 0.10 -0.43 3.23 5.09 -1.73 1.46 116.57 124.29 1xne h LYS 33 Ca -0.38 -0.01 0.03 0.00 0.09 0.00 0.00 60.65 60.38 1xne h LYS 33 Cb 1.70 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.99 1xne h LYS 33 CO -0.03 0.07 0.29 0.22 -2.09 0.00 0.00 179.45 177.91 1xne h ASP 34 N 0.10 0.41 -2.01 7.07 1.82 -1.83 -3.43 116.42 118.55 1xne h ASP 34 Ca 0.55 -0.01 -0.53 0.00 -0.39 0.00 0.00 57.03 56.65 1xne h ASP 34 Cb 1.96 -0.09 0.24 0.00 0.68 0.00 0.00 39.33 42.12 1xne h ASP 34 CO -0.08 0.28 -1.83 0.00 -1.61 0.00 0.00 179.24 175.99 1xne n ILE 35 N -4.48 0.00 -3.80 2.25 3.06 0.50 -5.00 119.36 111.90 1xne n ILE 35 Ca 0.05 -0.35 -0.03 0.00 -2.50 0.00 0.00 62.75 59.92 1xne n ILE 35 Cb 0.15 -0.11 0.02 0.00 0.54 0.00 0.00 39.64 40.24 1xne n ILE 35 CO 0.00 0.00 0.00 2.29 -2.50 0.00 0.00 176.55 176.34 1xne n LYS 36 N 1.72 0.60 -2.26 9.51 2.85 -1.26 -5.04 118.16 124.27 1xne n LYS 36 Ca -0.01 -1.32 -0.36 0.00 -1.05 0.00 0.00 58.31 55.57 1xne n LYS 36 Cb 0.60 1.77 -0.00 0.00 -0.65 0.00 0.00 35.03 36.74 1xne n LYS 36 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1xne s ARG 37 N -2.05 3.50 0.00 -1.58 3.00 -1.26 -3.06 118.95 117.50 1xne s ARG 37 Ca 0.18 1.68 0.00 0.00 -1.00 0.00 0.00 55.73 56.59 1xne s ARG 37 Cb -0.03 -2.15 0.00 0.00 0.00 0.00 0.00 34.95 32.77 1xne s ARG 37 CO 0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.30 175.02 1xne n GLY 38 N 0.27 0.96 3.97 8.12 0.00 -1.24 -5.03 105.19 112.23 1xne n GLY 38 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 1.58 -4.01 1.61 8.00 -1.17 -4.11 116.55 118.44 1xne n ASP 39 Ca 0.00 -2.27 -0.17 0.00 0.71 0.00 0.00 54.79 53.06 1xne n ASP 39 Cb 0.00 -0.60 -0.14 0.00 -0.02 0.00 0.00 41.12 40.36 1xne n ASP 39 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1xne s LYS 40 N -5.04 0.62 -0.07 -1.24 2.20 0.50 -1.79 119.74 114.92 1xne s LYS 40 Ca 0.66 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.96 1xne s LYS 40 Cb -0.04 -0.58 -0.00 0.00 -1.51 0.00 0.00 37.83 35.70 1xne s LYS 40 CO 0.43 0.15 -0.21 0.42 -0.36 0.00 0.00 175.35 175.79 1xne s ILE 41 N -0.35 1.79 -0.30 5.43 1.01 0.37 0.22 121.20 129.36 1xne s ILE 41 Ca 0.01 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.74 1xne s ILE 41 Cb -0.04 -1.54 0.04 0.00 0.01 0.00 0.00 42.46 40.93 1xne s ILE 41 CO -0.00 0.50 0.03 -0.63 0.00 0.00 0.00 174.94 174.84 1xne s ILE 42 N 0.20 3.31 -0.22 2.92 -1.09 0.35 0.95 121.20 127.63 1xne s ILE 42 Ca -0.11 -1.19 -0.29 0.00 -2.23 0.00 0.00 60.65 56.83 1xne s ILE 42 Cb -0.15 -2.84 0.01 0.00 -1.58 0.00 0.00 42.46 37.89 1xne s ILE 42 CO 0.05 -0.07 1.01 -0.36 -1.23 0.00 0.00 174.94 174.35 1xne s PHE 43 N 1.33 3.36 -1.76 3.97 0.08 -0.31 -0.37 117.98 124.28 1xne s PHE 43 Ca -0.03 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.47 1xne s PHE 43 Cb -0.19 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 1xne s PHE 43 CO 0.00 -0.44 0.00 0.09 -0.10 0.00 0.00 175.22 174.77 1xne n ASN 44 N 6.12 -5.62 -3.59 1.36 4.13 0.23 -2.35 115.26 115.54 1xne n ASN 44 Ca 0.11 0.41 -0.28 0.00 1.68 0.00 0.00 54.58 56.50 1xne n ASN 44 Cb 0.47 -4.58 0.05 0.00 -1.54 0.00 0.00 39.78 34.17 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 -5.65 0.02 6.41 2.03 -1.20 -4.80 116.55 112.06 1xne n ASP 45 Ca -0.17 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1xne n ASP 45 Cb 0.65 -3.69 0.00 0.00 -0.72 0.00 0.00 41.12 37.36 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 -3.88 -0.34 -4.44 -2.67 7.94 -0.99 -5.08 117.00 107.54 1xne n LEU 46 Ca -0.09 0.07 -0.42 0.00 -1.11 0.00 0.00 56.01 54.46 1xne n LEU 46 Cb 0.59 0.76 -0.10 0.00 0.53 0.00 0.00 43.42 45.20 1xne n LEU 46 CO 0.65 -0.44 -0.10 -0.63 -1.11 0.00 0.00 177.39 175.76 1xne s ILE 47 N -2.00 5.06 0.55 1.96 1.01 -1.11 -4.96 121.20 121.71 1xne s ILE 47 Ca 0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 1xne s ILE 47 Cb 0.00 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.62 1xne s ILE 47 CO 0.00 -0.25 1.04 -2.16 0.00 0.00 0.00 174.94 173.57 1xne s PRO 48 N 1.65 3.54 -0.06 2.79 0.04 -1.26 -1.16 135.00 140.54 1xne s PRO 48 Ca 0.04 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1xne s PRO 48 Cb -0.19 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1xne s PRO 48 CO 0.09 -0.63 0.38 0.00 0.04 0.00 0.00 177.00 176.88 1xne s ALA 49 N -2.31 -0.95 -0.04 8.56 0.00 0.27 -2.28 121.76 125.02 1xne s ALA 49 Ca 0.64 0.70 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1xne s ALA 49 Cb -0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1xne s ALA 49 CO 0.31 -0.25 -0.06 -2.00 0.00 0.00 0.00 175.76 173.76 1xne s GLU 50 N -0.79 2.69 -0.08 0.00 2.12 -0.84 0.14 118.70 121.95 1xne s GLU 50 Ca -0.09 -0.61 -0.30 0.00 0.36 0.00 0.00 54.97 54.34 1xne s GLU 50 Cb -0.04 -2.58 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1xne s GLU 50 CO 0.04 0.64 1.26 0.08 -0.54 0.00 0.00 175.26 176.74 1xne s VAL 51 N -0.91 4.17 -0.19 3.70 1.01 -0.74 0.04 120.40 127.49 1xne s VAL 51 Ca 0.15 1.48 -0.17 0.00 0.00 0.00 0.00 61.98 63.43 1xne s VAL 51 Cb -0.11 -3.95 -0.21 0.00 0.00 0.00 0.00 36.38 32.11 1xne s VAL 51 CO 0.04 -0.04 0.23 0.52 0.00 0.00 0.00 175.10 175.85 1xne n VAL 52 N 4.88 1.60 -3.61 2.92 0.31 0.14 -3.65 118.33 120.92 1xne n VAL 52 Ca 0.12 -0.20 -0.11 0.00 -0.01 0.00 0.00 64.34 64.14 1xne n VAL 52 Cb 0.45 -1.96 -0.06 0.00 -0.91 0.00 0.00 33.84 31.36 1xne n VAL 52 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1xne s GLU 53 N -2.42 0.60 -0.04 5.55 2.56 -0.83 -4.89 118.70 119.23 1xne s GLU 53 Ca -0.28 0.44 0.03 0.00 0.00 0.00 0.00 54.97 55.17 1xne s GLU 53 Cb 0.06 0.29 0.00 0.00 2.00 0.00 0.00 34.13 36.48 1xne s GLU 53 CO 0.63 -0.13 -0.14 0.54 -0.56 0.00 0.00 175.26 175.61 1xne s VAL 54 N -0.33 1.22 0.01 3.70 0.11 -1.26 -0.70 120.40 123.15 1xne s VAL 54 Ca 0.00 -0.59 -0.05 0.00 -2.93 0.00 0.00 61.98 58.42 1xne s VAL 54 Cb -0.03 -1.06 -0.01 0.00 -1.53 0.00 0.00 36.38 33.75 1xne s VAL 54 CO -0.02 0.36 0.08 -0.75 -3.33 0.00 0.00 175.10 171.44 1xne s LYS 55 N 0.19 0.41 0.12 1.54 2.20 -1.04 -4.97 119.74 118.20 1xne s LYS 55 Ca -0.06 -0.46 0.08 0.00 -0.36 0.00 0.00 55.97 55.17 1xne s LYS 55 Cb -0.12 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.33 1xne s LYS 55 CO 0.02 -0.09 -0.14 0.21 -0.36 0.00 0.00 175.35 174.99 1xne s LYS 56 N -1.37 1.94 0.03 4.03 2.20 -1.26 -2.23 119.74 123.08 1xne s LYS 56 Ca -0.15 -1.14 0.01 0.00 -0.36 0.00 0.00 55.97 54.33 1xne s LYS 56 Cb -0.08 -2.19 -0.00 0.00 -1.51 0.00 0.00 37.83 34.05 1xne s LYS 56 CO 0.01 0.48 0.03 0.66 -0.36 0.00 0.00 175.35 176.17 1xne n TYR 57 N 0.66 -0.16 -4.36 4.03 4.01 -1.26 -5.00 117.16 115.09 1xne n TYR 57 Ca -0.14 -0.25 -0.25 0.00 -0.16 0.00 0.00 57.90 57.10 1xne n TYR 57 Cb 0.53 0.03 -0.17 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.12 1.58 0.09 -0.72 -1.05 -1.26 -4.77 118.70 110.45 1xne s GLU 58 Ca 0.04 -0.34 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1xne s GLU 58 Cb 0.00 -1.41 0.00 0.00 -0.44 0.00 0.00 34.13 32.28 1xne s GLU 58 CO 0.03 -0.06 0.00 2.41 0.95 0.00 0.00 175.26 178.58 1xne n THR 59 N 4.14 -4.30 0.10 1.83 -1.04 -1.26 -4.21 114.28 109.54 1xne n THR 59 Ca -0.20 0.96 0.13 0.00 -2.04 0.00 0.00 64.05 62.90 1xne n THR 59 Cb 0.51 -2.54 0.64 0.00 -1.82 0.00 0.00 70.33 67.11 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 1.17 0.07 -0.64 -1.42 -5.15 -1.96 0.10 116.94 109.11 1xne h PHE 60 Ca 0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1xne h PHE 60 Cb 0.00 -0.02 -0.03 0.00 0.22 0.00 0.00 35.95 36.11 1xne h PHE 60 CO 0.00 0.04 0.39 0.07 -2.00 0.00 0.00 178.31 176.81 1xne h ARG 61 N 0.07 0.86 -0.09 6.09 -0.00 -1.97 -1.57 114.38 117.78 1xne h ARG 61 Ca 0.15 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.98 60.01 1xne h ARG 61 Cb 0.49 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.97 30.28 1xne h ARG 61 CO -0.01 0.60 -0.14 0.37 -0.00 0.00 0.00 179.97 180.79 1xne h GLN 62 N 0.88 0.25 -0.76 0.08 -0.00 -1.15 -2.95 115.11 111.46 1xne h GLN 62 Ca 0.23 -0.15 0.17 0.00 -0.00 0.00 0.00 58.65 58.90 1xne h GLN 62 Cb -0.05 0.01 -0.05 0.00 0.00 0.00 0.00 27.48 27.40 1xne h GLN 62 CO -0.05 0.72 0.51 0.28 0.00 0.00 0.00 178.83 180.30 1xne h VAL 63 N -0.20 0.74 0.00 2.39 2.07 -1.12 1.26 116.25 121.39 1xne h VAL 63 Ca 0.01 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 1xne h VAL 63 Cb 0.70 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1xne h VAL 63 CO 0.03 0.06 -0.24 -0.07 0.02 0.00 0.00 177.57 177.37 1xne h LEU 64 N 0.31 0.00 0.15 2.57 4.07 -1.14 0.50 115.31 121.77 1xne h LEU 64 Ca 0.37 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.99 1xne h LEU 64 Cb 1.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.74 1xne h LEU 64 CO -0.10 0.24 -1.77 0.03 -1.08 0.00 0.00 178.44 175.75 1xne h ARG 65 N 0.00 0.31 0.28 1.13 2.47 0.14 -3.40 114.38 115.31 1xne h ARG 65 Ca -0.00 -0.53 -0.01 0.00 -1.26 0.00 0.00 59.98 58.17 1xne h ARG 65 Cb 0.66 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1xne h ARG 65 CO 0.03 1.25 -0.13 0.93 0.56 0.00 0.00 179.97 182.61 1xne h GLU 66 N -0.01 -0.36 -6.59 0.04 4.39 0.11 -3.46 114.58 108.70 1xne h GLU 66 Ca -0.37 0.02 -0.50 0.00 0.34 0.00 0.00 59.36 58.85 1xne h GLU 66 Cb 1.99 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.73 1xne h GLU 66 CO 0.11 -0.24 -0.09 -1.21 -1.16 0.00 0.00 179.01 176.42 1xne s GLU 67 N -2.78 3.60 0.98 2.33 0.41 0.17 -5.07 118.70 118.34 1xne s GLU 67 Ca -0.05 -0.00 -0.14 0.00 -0.41 0.00 0.00 54.97 54.36 1xne s GLU 67 Cb 0.01 -2.59 0.18 0.00 -1.78 0.00 0.00 34.13 29.95 1xne s GLU 67 CO 0.16 0.12 1.17 -1.25 -0.49 0.00 0.00 175.26 174.97 1xne s PRO 68 N -3.92 0.59 -0.06 0.39 0.04 -1.26 -4.26 135.00 126.51 1xne s PRO 68 Ca 0.44 0.08 0.01 0.00 0.04 0.00 0.00 61.00 61.58 1xne s PRO 68 Cb -0.10 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.60 1xne s PRO 68 CO 0.34 -2.53 -0.05 -0.89 0.04 0.00 0.00 177.00 173.90 1xne n ILE 69 N -3.96 0.38 -0.16 0.56 5.41 -1.26 -4.15 119.36 116.19 1xne n ILE 69 Ca 0.09 -0.16 0.28 0.00 1.00 0.00 0.00 62.75 63.96 1xne n ILE 69 Cb 0.59 -0.75 0.72 0.00 -0.71 0.00 0.00 39.64 39.49 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 2.03 -1.95 0.72 116.42 121.60 1xne h ASP 70 Ca -0.15 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.10 1xne h ASP 70 Cb 1.24 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1xne h ASP 70 CO -0.02 0.00 -0.31 0.11 -1.03 0.00 0.00 179.24 177.99 1xne h LYS 71 N 0.00 0.00 0.32 4.15 1.57 -1.84 -3.36 116.57 117.41 1xne h LYS 71 Ca 0.40 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1xne h LYS 71 Cb 1.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.91 1xne h LYS 71 CO -0.00 0.86 -0.43 0.82 -0.57 0.00 0.00 179.45 180.12 1xne h ILE 72 N -1.00 0.00 -3.31 1.86 2.04 -1.24 -3.34 117.51 112.52 1xne h ILE 72 Ca -0.08 0.00 -0.68 0.00 1.00 0.00 0.00 64.86 65.10 1xne h ILE 72 Cb 0.95 0.00 -0.32 0.00 -0.74 0.00 0.00 36.82 36.71 1xne h ILE 72 CO -0.05 0.00 -0.86 -0.36 0.00 0.00 0.00 178.15 176.88 1xne s PHE 73 N -5.36 2.62 -0.13 1.37 0.08 0.23 -4.86 117.98 111.93 1xne s PHE 73 Ca -0.15 -1.04 0.27 0.00 0.12 0.00 0.00 56.93 56.13 1xne s PHE 73 Cb 0.04 -1.76 0.81 0.00 -0.57 0.00 0.00 43.02 41.54 1xne s PHE 73 CO 0.50 -0.43 1.78 -1.00 -0.10 0.00 0.00 175.22 175.97 1xne h PRO 74 N 6.84 0.00 0.00 0.24 0.13 -1.79 -2.85 132.00 134.57 1xne h PRO 74 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1xne h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1xne h PRO 74 CO 0.50 0.06 0.00 -0.44 -0.23 0.00 0.00 178.00 177.89 1xne h ASP 75 N 0.00 0.00 -5.96 1.44 3.32 -1.92 -3.46 116.42 109.84 1xne h ASP 75 Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1xne h ASP 75 Cb 0.80 0.00 0.07 0.00 0.22 0.00 0.00 39.33 40.41 1xne h ASP 75 CO 0.01 0.00 -0.69 0.29 -1.72 0.00 0.00 179.24 177.12 1xne n LYS 76 N -2.36 -1.45 -1.53 3.56 5.02 -1.07 -4.97 118.16 115.35 1xne n LYS 76 Ca -0.01 0.86 -0.29 0.00 -2.02 0.00 0.00 58.31 56.85 1xne n LYS 76 Cb 0.08 -4.53 0.18 0.00 -0.02 0.00 0.00 35.03 30.74 1xne n LYS 76 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xne s PRO 77 N -4.74 0.36 0.12 1.97 0.04 -1.26 -5.07 135.00 126.42 1xne s PRO 77 Ca 0.26 -0.01 0.04 0.00 0.04 0.00 0.00 61.00 61.33 1xne s PRO 77 Cb -0.08 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1xne s PRO 77 CO 0.82 -2.67 0.13 -1.12 0.04 0.00 0.00 177.00 174.20 1xne s SER 78 N -4.25 5.66 0.31 6.66 0.01 -1.26 -4.89 113.70 115.94 1xne s SER 78 Ca 0.69 -0.02 0.08 0.00 1.31 0.00 0.00 55.95 58.01 1xne s SER 78 Cb -0.10 -1.54 0.87 0.00 0.21 0.00 0.00 66.02 65.46 1xne s SER 78 CO 0.54 0.12 1.70 0.15 0.41 0.00 0.00 173.24 176.15 1xne h PHE 79 N 2.83 0.83 -0.05 2.43 3.57 -1.98 1.47 116.94 126.02 1xne h PHE 79 Ca -0.47 0.04 -0.24 0.00 3.53 0.00 0.00 57.97 60.83 1xne h PHE 79 Cb 1.18 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 39.72 1xne h PHE 79 CO 0.59 -0.05 -0.90 1.49 -2.23 0.00 0.00 178.31 177.20 1xne h GLU 80 N 0.43 0.70 -0.19 1.11 4.57 -2.00 -2.95 114.58 116.25 1xne h GLU 80 Ca 0.63 -0.69 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1xne h GLU 80 Cb 1.28 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 1xne h GLU 80 CO -0.54 1.28 0.06 -0.22 -1.18 0.00 0.00 179.01 178.41 1xne h LYS 81 N 0.39 0.29 -0.90 1.92 3.64 -0.92 -2.19 116.57 118.81 1xne h LYS 81 Ca -0.10 -0.06 0.18 0.00 -1.27 0.00 0.00 60.65 59.41 1xne h LYS 81 Cb 1.55 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.26 1xne h LYS 81 CO 0.18 0.38 0.59 0.00 -2.27 0.00 0.00 179.45 178.33 1xne h ALA 82 N 0.89 2.07 0.00 5.00 0.00 0.18 0.80 119.26 128.20 1xne h ALA 82 Ca 0.06 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xne h ALA 82 Cb 0.21 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1xne h ALA 82 CO -0.00 -0.34 -0.16 1.25 0.00 0.00 0.00 179.25 180.00 1xne h LEU 83 N 0.50 -0.46 0.23 0.00 6.46 -1.21 0.24 115.31 121.06 1xne h LEU 83 Ca 0.47 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 58.28 1xne h LEU 83 Cb 1.02 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1xne h LEU 83 CO -0.20 -0.22 -0.11 0.50 -0.62 0.00 0.00 178.44 177.79 1xne h LYS 84 N -0.26 -0.30 -0.96 1.25 1.63 -0.81 -3.22 116.57 113.90 1xne h LYS 84 Ca 0.05 0.02 0.25 0.00 -0.85 0.00 0.00 60.65 60.12 1xne h LYS 84 Cb 0.33 0.07 -0.18 0.00 -0.60 0.00 0.00 32.23 31.85 1xne h LYS 84 CO -0.15 0.08 -0.00 0.00 -3.45 0.00 0.00 179.45 175.92 1xne h ARG 85 N -0.85 0.02 -2.06 1.90 3.08 0.61 0.57 114.38 117.64 1xne h ARG 85 Ca -0.03 -0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.67 1xne h ARG 85 Cb 0.51 -0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.45 1xne h ARG 85 CO 0.05 0.01 0.20 1.19 -1.07 0.00 0.00 179.97 180.35 1xne n PHE 86 N -5.49 0.82 0.00 3.04 3.72 0.83 -3.53 117.46 116.85 1xne n PHE 86 Ca 0.21 -1.79 0.00 0.00 -0.05 0.00 0.00 57.45 55.83 1xne n PHE 86 Cb 0.70 -1.56 0.00 0.00 -0.94 0.00 0.00 39.48 37.68 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 1.88 -0.14 -2.17 1.38 -0.00 0.13 -4.93 115.22 111.38 1xne n HIS 87 Ca 0.48 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 58.32 1xne n HIS 87 Cb 0.72 0.03 -0.04 0.00 -0.12 0.00 0.00 29.99 30.58 1xne n HIS 87 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1xne n ASN 88 N -1.05 3.65 -4.12 0.26 2.85 0.15 -4.70 115.26 112.30 1xne n ASN 88 Ca 0.00 -2.77 -0.09 0.00 -0.11 0.00 0.00 54.58 51.60 1xne n ASN 88 Cb 0.00 -1.71 -0.10 0.00 1.24 0.00 0.00 39.78 39.21 1xne n ASN 88 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 1xne s MET 89 N 5.61 0.93 0.59 1.20 -1.94 -1.26 -4.91 119.30 119.51 1xne s MET 89 Ca 0.63 -1.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 1xne s MET 89 Cb 0.02 0.25 0.00 0.00 2.01 0.00 0.00 34.83 37.11 1xne s MET 89 CO 0.11 -0.26 0.00 0.66 -0.01 0.00 0.00 175.02 175.52 1xne n TYR 90 N -0.09 -3.87 0.19 -0.03 4.01 -1.26 -4.58 117.16 111.53 1xne n TYR 90 Ca -0.06 2.12 0.07 0.00 -0.16 0.00 0.00 57.90 59.87 1xne n TYR 90 Cb 0.63 -3.41 0.28 0.00 -0.31 0.00 0.00 39.34 36.53 1xne n TYR 90 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xne h PRO 91 N -0.87 0.00 -6.29 -0.72 0.13 -2.01 -3.43 132.00 118.81 1xne h PRO 91 Ca -0.13 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.43 1xne h PRO 91 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1xne h PRO 91 CO 0.05 0.32 0.91 0.21 -0.23 0.00 0.00 178.00 179.25 1xne s LYS 92 N -3.38 4.04 -1.05 0.86 2.20 -1.26 -4.90 119.74 116.24 1xne s LYS 92 Ca 0.02 1.25 -0.20 0.00 -0.36 0.00 0.00 55.97 56.68 1xne s LYS 92 Cb 0.09 -3.80 -0.08 0.00 -1.51 0.00 0.00 37.83 32.53 1xne s LYS 92 CO 0.68 -0.95 1.97 0.91 -0.36 0.00 0.00 175.35 177.60 1xne n TRP 93 N 7.13 2.66 -2.68 4.03 8.01 -1.26 -4.36 117.44 130.96 1xne n TRP 93 Ca 0.13 -2.09 -0.02 0.00 -1.31 0.00 0.00 57.50 54.21 1xne n TRP 93 Cb 0.46 -2.15 0.03 0.00 -2.01 0.00 0.00 31.31 27.64 1xne n TRP 93 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1xne s LYS 94 N 4.81 0.17 -0.12 -0.99 1.02 -1.26 -5.15 119.74 118.22 1xne s LYS 94 Ca 0.57 -0.15 -0.10 0.00 0.02 0.00 0.00 55.97 56.30 1xne s LYS 94 Cb 0.11 -0.00 -0.05 0.00 -0.52 0.00 0.00 37.83 37.37 1xne s LYS 94 CO 0.07 -0.22 0.21 -2.00 -0.92 0.00 0.00 175.35 172.50 1xne s GLU 95 N 1.16 3.81 0.01 1.68 2.12 -1.26 -5.02 118.70 121.20 1xne s GLU 95 Ca 0.22 -0.01 -0.26 0.00 0.36 0.00 0.00 54.97 55.28 1xne s GLU 95 Cb 0.12 -3.28 -0.15 0.00 0.26 0.00 0.00 34.13 31.08 1xne s GLU 95 CO -0.12 0.58 1.10 1.88 -0.54 0.00 0.00 175.26 178.16 1xne h TYR 96 N 5.55 -0.83 -3.36 5.30 -1.99 -1.98 -3.50 116.97 116.16 1xne h TYR 96 Ca -0.49 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.22 1xne h TYR 96 Cb 1.20 0.28 -0.03 0.00 2.00 0.00 0.00 36.73 40.18 1xne h TYR 96 CO 0.69 -0.50 -0.43 -2.13 -0.00 0.00 0.00 178.16 175.79 1xne n ARG 97 N -5.38 -1.45 -3.64 4.88 0.63 -1.26 -5.12 116.66 105.33 1xne n ARG 97 Ca -0.12 1.42 -0.04 0.00 -0.92 0.00 0.00 57.85 58.20 1xne n ARG 97 Cb 0.36 -2.09 -0.07 0.00 0.45 0.00 0.00 32.46 31.12 1xne n ARG 97 CO 0.00 0.00 0.00 1.52 -2.51 0.00 0.00 177.63 176.64 1xne s TYR 98 N -0.19 -0.12 0.00 -0.14 1.13 -1.26 -5.17 117.35 111.60 1xne s TYR 98 Ca -0.06 0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 1xne s TYR 98 Cb 0.00 0.47 0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1xne s TYR 98 CO 0.17 -0.06 0.00 0.41 -2.51 0.00 0.00 175.55 173.55 1xne n GLY 99 N 1.51 4.06 3.06 5.49 0.00 -1.26 -4.81 105.19 113.24 1xne n GLY 99 Ca -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.75 -0.75 -0.26 1.61 0.11 -1.26 -4.55 120.40 114.55 1xne s VAL 100 Ca 0.00 -0.02 -0.15 0.00 -2.93 0.00 0.00 61.98 58.88 1xne s VAL 100 Cb 0.00 -0.87 0.08 0.00 -1.53 0.00 0.00 36.38 34.06 1xne s VAL 100 CO 0.00 -0.06 0.65 -0.22 -3.33 0.00 0.00 175.10 172.14 1xne s LEU 101 N 2.67 -0.82 -0.35 2.54 0.20 -1.26 -4.02 118.68 117.64 1xne s LEU 101 Ca 0.13 1.42 -0.04 0.00 0.69 0.00 0.00 54.13 56.34 1xne s LEU 101 Cb -0.15 2.23 0.06 0.00 -0.43 0.00 0.00 46.19 47.91 1xne s LEU 101 CO -0.17 -0.23 0.10 0.00 -0.29 0.00 0.00 176.35 175.75 1xne s ALA 102 N 1.59 3.00 -0.23 5.97 0.00 -0.95 -3.83 121.76 127.32 1xne s ALA 102 Ca -0.10 -1.96 -0.09 0.00 0.00 0.00 0.00 51.96 49.81 1xne s ALA 102 Cb -0.05 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1xne s ALA 102 CO -0.19 -1.44 0.11 0.42 0.00 0.00 0.00 175.76 174.66 1xne s ILE 103 N 1.29 4.92 -0.29 0.00 1.01 -0.71 -2.49 121.20 124.93 1xne s ILE 103 Ca -0.00 0.03 -0.07 0.00 0.00 0.00 0.00 60.65 60.60 1xne s ILE 103 Cb -0.21 -3.28 0.01 0.00 0.01 0.00 0.00 42.46 38.99 1xne s ILE 103 CO -0.00 0.37 0.08 -0.54 0.00 0.00 0.00 174.94 174.85 1xne s LYS 104 N 1.02 3.13 0.11 2.79 1.02 0.12 -0.37 119.74 127.56 1xne s LYS 104 Ca 0.06 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.28 1xne s LYS 104 Cb -0.14 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 1xne s LYS 104 CO 0.04 -0.42 -0.15 -0.59 -0.92 0.00 0.00 175.35 173.30 1xne s PHE 105 N 1.50 1.44 -0.25 3.18 -0.12 -0.92 0.27 117.98 123.09 1xne s PHE 105 Ca 0.03 -0.51 0.02 0.00 -0.05 0.00 0.00 56.93 56.41 1xne s PHE 105 Cb -0.17 -0.76 0.06 0.00 -0.63 0.00 0.00 43.02 41.52 1xne s PHE 105 CO 0.02 0.15 -0.07 1.03 -0.05 0.00 0.00 175.22 176.30 1xne s ARG 106 N -2.40 1.80 0.06 1.99 0.52 0.11 -4.73 118.95 116.29 1xne s ARG 106 Ca 0.07 -1.13 -0.35 0.00 -0.52 0.00 0.00 55.73 53.80 1xne s ARG 106 Cb -0.07 -2.69 -0.14 0.00 0.52 0.00 0.00 34.95 32.57 1xne s ARG 106 CO 0.03 -0.60 1.61 1.55 0.02 0.00 0.00 175.30 177.91 1xne n VAL 107 N 4.59 0.15 -2.56 3.52 3.14 -1.26 -1.98 118.33 123.92 1xne n VAL 107 Ca -0.12 -0.03 -0.41 0.00 -2.96 0.00 0.00 64.34 60.82 1xne n VAL 107 Cb 0.43 -1.45 -0.03 0.00 -1.06 0.00 0.00 33.84 31.74 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 1.73 3.42 0.00 6.55 1.43 -0.96 -4.74 118.68 126.11 1xne s LEU 108 Ca 0.84 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1xne s LEU 108 Cb -0.77 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 42.89 1xne s LEU 108 CO 0.45 -1.60 0.00 0.61 0.23 0.00 0.00 176.35 176.03 1xne n GLY 109 N 6.41 -0.47 1.55 -3.19 0.00 -1.26 -4.80 105.19 103.43 1xne n GLY 109 Ca 0.24 -0.65 0.06 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.84 -2.68 1.61 0.63 -1.26 -4.84 116.66 106.28 1xne n ARG 110 Ca 0.00 3.03 -0.35 0.00 -0.92 0.00 0.00 57.85 59.61 1xne n ARG 110 Cb 0.00 -3.99 -0.05 0.00 0.45 0.00 0.00 32.46 28.87 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 -6.12 6.88 0.62 6.15 1.47 -1.26 -4.83 116.67 119.58 1xne s ASP 111 Ca 0.00 1.87 0.00 0.00 1.18 0.00 0.00 52.55 55.60 1xne s ASP 111 Cb 0.00 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 40.01 1xne s ASP 111 CO 0.00 -0.40 0.00 1.17 0.68 0.00 0.00 175.17 176.62 1xne n LYS 112 N -0.24 -3.43 0.00 2.11 3.00 -1.26 -5.26 118.16 113.07 1xne n LYS 112 Ca 0.06 2.79 0.09 0.00 -0.00 0.00 0.00 58.31 61.25 1xne n LYS 112 Cb 0.52 -3.90 0.55 0.00 0.00 0.00 0.00 35.03 32.19 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49