#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 2.07 -0.02 2.12 2.47 -1.26 -4.82 119.74 120.29 1xne s LYS 2 Ca 0.00 0.80 0.03 0.00 -1.56 0.00 0.00 55.97 55.24 1xne s LYS 2 Cb 0.00 -1.90 -0.00 0.00 -1.46 0.00 0.00 37.83 34.46 1xne s LYS 2 CO 0.00 -1.67 -0.12 0.08 0.16 0.00 0.00 175.35 173.79 1xne s VAL 3 N -3.06 1.01 -0.16 4.02 1.01 -1.26 -1.47 120.40 120.50 1xne s VAL 3 Ca 0.61 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 62.10 1xne s VAL 3 Cb -0.15 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1xne s VAL 3 CO 0.55 0.30 -0.21 -0.31 0.00 0.00 0.00 175.10 175.43 1xne s TYR 4 N -0.02 2.70 -0.52 5.22 1.51 -0.26 -4.98 117.35 120.99 1xne s TYR 4 Ca -0.00 -1.46 -0.21 0.00 -1.01 0.00 0.00 57.07 54.39 1xne s TYR 4 Cb -0.08 -1.85 0.05 0.00 -0.11 0.00 0.00 41.96 39.98 1xne s TYR 4 CO 0.00 -0.69 0.72 1.03 -1.11 0.00 0.00 175.55 175.51 1xne s ARG 5 N 1.01 3.18 -0.30 -0.62 0.52 -1.26 0.19 118.95 121.67 1xne s ARG 5 Ca -0.02 -0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1xne s ARG 5 Cb -0.14 -4.09 -0.03 0.00 0.52 0.00 0.00 34.95 31.21 1xne s ARG 5 CO -0.06 -1.32 0.17 -0.51 0.02 0.00 0.00 175.30 173.60 1xne s LEU 6 N 3.03 4.07 -0.29 2.53 1.43 0.50 -4.95 118.68 125.00 1xne s LEU 6 Ca 0.19 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 1xne s LEU 6 Cb -0.17 -2.06 0.01 0.00 0.03 0.00 0.00 46.19 44.00 1xne s LEU 6 CO 0.14 -0.13 1.04 -0.31 0.23 0.00 0.00 176.35 177.32 1xne s TYR 7 N 1.69 3.21 0.44 0.29 2.02 -1.26 0.60 117.35 124.35 1xne s TYR 7 Ca 0.06 1.25 0.03 0.00 -0.37 0.00 0.00 57.07 58.04 1xne s TYR 7 Cb -0.16 -3.51 -0.04 0.00 -0.40 0.00 0.00 41.96 37.84 1xne s TYR 7 CO 0.08 -0.66 0.04 -0.51 -1.57 0.00 0.00 175.55 172.94 1xne s LEU 8 N 3.45 2.34 0.24 -1.29 1.02 -1.26 -4.86 118.68 118.32 1xne s LEU 8 Ca 0.44 -1.56 -0.01 0.00 0.02 0.00 0.00 54.13 53.02 1xne s LEU 8 Cb -0.13 -0.59 -0.04 0.00 0.02 0.00 0.00 46.19 45.45 1xne s LEU 8 CO 0.12 -0.75 0.44 -0.54 0.02 0.00 0.00 176.35 175.64 1xne s LYS 9 N -3.81 3.52 0.57 1.70 -0.14 -1.26 -4.74 119.74 115.58 1xne s LYS 9 Ca 0.20 -0.33 0.25 0.00 -1.36 0.00 0.00 55.97 54.72 1xne s LYS 9 Cb 0.05 -2.79 1.63 0.00 -1.68 0.00 0.00 37.83 35.03 1xne s LYS 9 CO 0.10 0.33 2.21 0.22 -0.76 0.00 0.00 175.35 177.46 1xne h ASP 10 N 1.67 0.00 -0.14 2.83 1.82 -2.01 1.44 116.42 122.02 1xne h ASP 10 Ca -0.49 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.11 1xne h ASP 10 Cb 1.20 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1xne h ASP 10 CO 0.66 0.00 -0.09 -0.33 -1.61 0.00 0.00 179.24 177.87 1xne h GLU 11 N 0.00 0.31 0.17 0.28 4.39 -1.99 -0.68 114.58 117.06 1xne h GLU 11 Ca 0.01 -0.15 -0.23 0.00 0.34 0.00 0.00 59.36 59.33 1xne h GLU 11 Cb 0.03 -0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1xne h GLU 11 CO -0.00 0.67 -1.02 1.88 -1.16 0.00 0.00 179.01 179.37 1xne h TYR 12 N -0.04 0.66 -0.92 4.33 0.05 -1.67 -3.31 116.97 116.07 1xne h TYR 12 Ca 0.03 -0.48 0.06 0.00 0.05 0.00 0.00 58.73 58.39 1xne h TYR 12 Cb 0.59 -0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.24 1xne h TYR 12 CO 0.07 1.39 0.58 1.25 -1.05 0.00 0.00 178.16 180.41 1xne h LEU 13 N -0.23 0.92 -0.67 3.88 5.85 0.18 -1.50 115.31 123.75 1xne h LEU 13 Ca -0.18 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.69 1xne h LEU 13 Cb 1.79 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.53 1xne h LEU 13 CO 0.18 0.59 0.07 -0.33 -0.34 0.00 0.00 178.44 178.61 1xne h GLU 14 N 1.06 0.17 -1.00 1.25 5.08 -1.20 0.28 114.58 120.22 1xne h GLU 14 Ca 0.40 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.80 1xne h GLU 14 Cb 0.17 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1xne h GLU 14 CO -0.17 0.11 0.65 0.52 -1.00 0.00 0.00 179.01 179.12 1xne h MET 15 N 0.18 1.18 -0.44 2.33 2.86 -1.37 -0.44 114.93 119.22 1xne h MET 15 Ca 0.36 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.84 1xne h MET 15 Cb 0.60 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1xne h MET 15 CO -0.53 0.78 -0.08 0.28 1.06 0.00 0.00 176.91 178.42 1xne h VAL 16 N 1.22 1.25 -0.34 -2.22 2.07 -0.38 -2.31 116.25 115.53 1xne h VAL 16 Ca 0.41 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1xne h VAL 16 Cb 0.08 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1xne h VAL 16 CO -0.14 0.39 0.16 0.11 0.02 0.00 0.00 177.57 178.10 1xne h LYS 17 N 0.71 0.50 -0.01 1.57 1.79 0.58 -1.45 116.57 120.26 1xne h LYS 17 Ca 0.13 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1xne h LYS 17 Cb 0.55 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.11 1xne h LYS 17 CO 0.03 0.47 0.01 0.66 -1.08 0.00 0.00 179.45 179.54 1xne h SER 18 N 0.41 0.00 0.00 0.86 4.64 -0.84 -3.45 113.55 115.17 1xne h SER 18 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1xne h SER 18 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1xne h SER 18 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1xne n GLY 19 N -1.36 0.62 0.21 -0.77 0.00 -0.54 -4.69 105.19 98.66 1xne n GLY 19 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.98 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 4.44 0.28 -6.58 1.61 1.57 -1.68 -3.39 116.57 112.82 1xne h LYS 20 Ca 0.00 -0.11 -0.55 0.00 -1.87 0.00 0.00 60.65 58.11 1xne h LYS 20 Cb 0.00 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 1xne h LYS 20 CO 0.00 0.59 0.96 0.21 -0.57 0.00 0.00 179.45 180.64 1xne s LYS 21 N -4.30 3.54 -0.08 3.15 2.20 -1.12 -4.74 119.74 118.39 1xne s LYS 21 Ca -0.05 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 1xne s LYS 21 Cb 0.14 -4.00 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1xne s LYS 21 CO 0.77 -1.64 -0.05 0.54 -0.36 0.00 0.00 175.35 174.60 1xne n ARG 22 N 8.35 0.66 -4.29 4.03 5.12 -1.26 -4.79 116.66 124.48 1xne n ARG 22 Ca 0.09 0.04 -0.34 0.00 -1.93 0.00 0.00 57.85 55.70 1xne n ARG 22 Cb 0.49 -1.16 -0.14 0.00 -1.16 0.00 0.00 32.46 30.50 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 -2.16 3.39 -0.39 0.55 1.01 -1.26 -1.41 121.20 120.93 1xne s ILE 23 Ca -0.09 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1xne s ILE 23 Cb 0.03 -2.49 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1xne s ILE 23 CO 0.19 0.47 0.27 -0.70 0.00 0.00 0.00 174.94 175.17 1xne s GLU 24 N 0.87 3.04 -0.39 2.79 2.12 0.76 -4.51 118.70 123.38 1xne s GLU 24 Ca -0.02 -0.96 -0.18 0.00 0.36 0.00 0.00 54.97 54.17 1xne s GLU 24 Cb -0.15 -3.89 0.01 0.00 0.26 0.00 0.00 34.13 30.36 1xne s GLU 24 CO 0.01 -0.68 0.51 0.08 -0.54 0.00 0.00 175.26 174.64 1xne s VAL 25 N 1.66 5.01 -0.18 3.70 1.01 -1.26 -2.40 120.40 127.94 1xne s VAL 25 Ca 0.05 0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1xne s VAL 25 Cb -0.19 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1xne s VAL 25 CO 0.09 -0.35 0.48 -0.60 0.00 0.00 0.00 175.10 174.73 1xne s ARG 26 N 2.39 0.56 -0.47 2.72 3.52 -1.21 -5.06 118.95 121.40 1xne s ARG 26 Ca 0.17 0.69 -0.39 0.00 -0.13 0.00 0.00 55.73 56.07 1xne s ARG 26 Cb -0.16 0.26 -0.16 0.00 -1.56 0.00 0.00 34.95 33.34 1xne s ARG 26 CO 0.15 -0.07 2.21 1.33 -0.81 0.00 0.00 175.30 178.10 1xne n VAL 27 N 2.90 0.08 0.00 7.11 0.24 -1.26 -4.12 118.33 123.27 1xne n VAL 27 Ca -0.14 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1xne n VAL 27 Cb 0.57 -1.04 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 8.92 0.00 -1.37 2.33 0.00 -1.26 -4.93 120.51 124.20 1xne n ALA 28 Ca 0.50 0.00 0.16 0.00 0.00 0.00 0.00 53.44 54.09 1xne n ALA 28 Cb 0.09 0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.74 -3.53 -2.32 0.00 4.02 -1.26 -4.19 117.16 109.13 1xne n TYR 29 Ca 0.00 1.95 -0.35 0.00 -0.01 0.00 0.00 57.90 59.49 1xne n TYR 29 Cb 0.00 -3.22 -0.03 0.00 -0.02 0.00 0.00 39.34 36.07 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 -4.39 3.19 0.34 -0.72 0.04 -1.26 -3.46 135.00 128.74 1xne s PRO 30 Ca 0.00 -1.28 0.00 0.00 0.04 0.00 0.00 61.00 59.76 1xne s PRO 30 Cb 0.00 -5.33 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1xne s PRO 30 CO 0.00 -2.99 0.00 0.94 0.04 0.00 0.00 177.00 174.99 1xne n GLN 31 N 8.53 0.00 -0.12 4.56 0.00 -1.26 -4.96 117.38 124.14 1xne n GLN 31 Ca 0.43 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.44 1xne n GLN 31 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.72 1xne n GLN 31 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1xne n LEU 32 N -3.30 0.42 0.07 1.69 -0.00 -1.26 -4.78 117.00 109.85 1xne n LEU 32 Ca 0.00 -0.69 -0.06 0.00 -0.00 0.00 0.00 56.01 55.26 1xne n LEU 32 Cb 0.00 -0.02 0.11 0.00 -0.00 0.00 0.00 43.42 43.51 1xne n LEU 32 CO 0.00 0.17 0.48 0.07 -0.00 0.00 0.00 177.39 178.11 1xne h LYS 33 N 0.00 0.30 -0.13 1.47 2.10 -1.72 -2.57 116.57 116.01 1xne h LYS 33 Ca 0.00 -0.20 0.04 0.00 -2.00 0.00 0.00 60.65 58.49 1xne h LYS 33 Cb 1.02 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 1xne h LYS 33 CO 0.00 0.80 0.15 0.22 -2.00 0.00 0.00 179.45 178.62 1xne h ASP 34 N 0.22 0.00 -1.99 7.07 1.82 -1.86 -3.43 116.42 118.25 1xne h ASP 34 Ca -0.00 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 1xne h ASP 34 Cb 1.10 0.00 0.24 0.00 0.68 0.00 0.00 39.33 41.35 1xne h ASP 34 CO 0.09 0.00 -1.83 0.00 -1.61 0.00 0.00 179.24 175.89 1xne n ILE 35 N -3.83 0.00 -3.68 2.25 3.06 -0.97 -5.00 119.36 111.19 1xne n ILE 35 Ca 0.00 -0.32 -0.02 0.00 -2.50 0.00 0.00 62.75 59.92 1xne n ILE 35 Cb 0.26 -0.13 -0.01 0.00 0.54 0.00 0.00 39.64 40.29 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 -2.34 0.80 0.36 9.51 -2.85 -1.26 -4.95 119.74 119.00 1xne s LYS 36 Ca 0.43 -0.43 -0.25 0.00 -1.00 0.00 0.00 55.97 54.71 1xne s LYS 36 Cb -0.11 0.28 -0.12 0.00 -2.06 0.00 0.00 37.83 35.81 1xne s LYS 36 CO 0.76 -0.36 0.89 -2.13 0.10 0.00 0.00 175.35 174.60 1xne n ARG 37 N -0.45 1.13 0.00 1.78 0.63 -1.26 -2.12 116.66 116.36 1xne n ARG 37 Ca -0.07 0.40 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1xne n ARG 37 Cb 0.62 -1.81 0.00 0.00 0.45 0.00 0.00 32.46 31.71 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 1.36 2.43 2.48 5.14 0.00 -1.20 -5.03 105.19 110.36 1xne n GLY 38 Ca 0.10 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 0.04 -0.87 -3.89 1.61 8.00 -0.90 -4.76 116.55 115.77 1xne n ASP 39 Ca 0.00 -1.13 -0.12 0.00 0.71 0.00 0.00 54.79 54.25 1xne n ASP 39 Cb 0.00 -0.68 -0.14 0.00 -0.02 0.00 0.00 41.12 40.28 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 -4.81 0.08 0.02 -1.24 2.20 -0.54 -2.52 119.74 112.93 1xne s LYS 40 Ca 0.49 -0.07 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 1xne s LYS 40 Cb -0.03 -0.05 -0.03 0.00 -1.51 0.00 0.00 37.83 36.21 1xne s LYS 40 CO 0.36 0.01 -0.25 0.42 -0.36 0.00 0.00 175.35 175.53 1xne s ILE 41 N -0.12 2.20 -0.18 5.43 1.01 0.67 -1.11 121.20 129.10 1xne s ILE 41 Ca -0.01 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 59.39 1xne s ILE 41 Cb -0.01 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.65 1xne s ILE 41 CO -0.00 0.44 -0.18 -0.63 0.00 0.00 0.00 174.94 174.57 1xne s ILE 42 N -0.75 1.93 -0.20 2.92 -1.09 0.49 0.49 121.20 125.00 1xne s ILE 42 Ca 0.11 -0.89 -0.15 0.00 -2.23 0.00 0.00 60.65 57.49 1xne s ILE 42 Cb -0.10 -1.78 -0.04 0.00 -1.58 0.00 0.00 42.46 38.96 1xne s ILE 42 CO 0.01 0.49 0.36 -0.36 -1.23 0.00 0.00 174.94 174.21 1xne s PHE 43 N 1.33 3.38 -1.19 3.97 0.08 -0.49 0.19 117.98 125.25 1xne s PHE 43 Ca 0.04 0.57 0.00 0.00 0.12 0.00 0.00 56.93 57.67 1xne s PHE 43 Cb -0.13 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1xne s PHE 43 CO -0.12 0.03 0.00 0.09 -0.10 0.00 0.00 175.22 175.12 1xne n ASN 44 N 4.32 -5.60 -3.73 1.36 4.13 0.20 -2.45 115.26 113.49 1xne n ASN 44 Ca -0.09 0.28 -0.32 0.00 1.68 0.00 0.00 54.58 56.12 1xne n ASN 44 Cb 0.51 -4.09 0.04 0.00 -1.54 0.00 0.00 39.78 34.70 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 -1.10 -4.84 0.00 6.41 2.03 -1.26 -4.75 116.55 113.04 1xne n ASP 45 Ca -0.11 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.16 1xne n ASP 45 Cb 0.58 -3.23 0.00 0.00 -0.72 0.00 0.00 41.12 37.75 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 -4.27 0.00 -4.45 -2.67 0.00 -1.04 -5.08 117.00 99.49 1xne n LEU 46 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.48 1xne n LEU 46 Cb 0.60 0.28 -0.10 0.00 0.00 0.00 0.00 43.42 44.19 1xne n LEU 46 CO 0.68 -0.28 -0.09 -0.63 0.00 0.00 0.00 177.39 177.07 1xne s ILE 47 N -1.64 5.13 0.58 1.96 1.01 -1.02 -4.98 121.20 122.23 1xne s ILE 47 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1xne s ILE 47 Cb 0.00 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1xne s ILE 47 CO 0.00 -0.28 1.05 -2.16 0.00 0.00 0.00 174.94 173.55 1xne s PRO 48 N 1.66 3.43 0.03 2.79 0.04 -1.26 -1.40 135.00 140.28 1xne s PRO 48 Ca 0.05 1.19 -0.16 0.00 0.04 0.00 0.00 61.00 62.12 1xne s PRO 48 Cb -0.19 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1xne s PRO 48 CO 0.09 -0.72 0.34 0.00 0.04 0.00 0.00 177.00 176.76 1xne s ALA 49 N -2.44 -0.81 0.06 8.56 0.00 0.18 -2.60 121.76 124.71 1xne s ALA 49 Ca 0.63 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1xne s ALA 49 Cb -0.15 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1xne s ALA 49 CO 0.35 -0.38 -0.13 -2.00 0.00 0.00 0.00 175.76 173.59 1xne s GLU 50 N -2.20 2.17 -0.22 0.00 2.12 -0.22 -0.24 118.70 120.11 1xne s GLU 50 Ca -0.07 -0.95 -0.27 0.00 0.36 0.00 0.00 54.97 54.04 1xne s GLU 50 Cb -0.02 -2.28 -0.00 0.00 0.26 0.00 0.00 34.13 32.09 1xne s GLU 50 CO -0.01 0.54 0.92 0.08 -0.54 0.00 0.00 175.26 176.26 1xne s VAL 51 N -1.04 4.77 -0.17 3.70 1.01 -1.05 0.61 120.40 128.23 1xne s VAL 51 Ca 0.17 1.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.77 1xne s VAL 51 Cb -0.11 -4.21 -0.22 0.00 0.00 0.00 0.00 36.38 31.85 1xne s VAL 51 CO 0.09 -0.10 0.29 0.58 0.00 0.00 0.00 175.10 175.95 1xne h VAL 52 N 5.40 0.85 -1.59 2.92 2.07 -0.87 -3.18 116.25 121.85 1xne h VAL 52 Ca -0.22 -2.24 0.13 0.00 0.82 0.00 0.00 66.70 65.18 1xne h VAL 52 Cb 1.09 2.35 -0.22 0.00 -1.52 0.00 0.00 31.29 32.99 1xne h VAL 52 CO 0.91 0.51 0.62 -0.70 0.02 0.00 0.00 177.57 178.94 1xne s GLU 53 N -2.43 0.52 -0.03 1.57 2.56 -0.79 -4.72 118.70 115.39 1xne s GLU 53 Ca -0.26 0.03 0.07 0.00 0.00 0.00 0.00 54.97 54.81 1xne s GLU 53 Cb 0.06 0.25 -0.02 0.00 2.00 0.00 0.00 34.13 36.42 1xne s GLU 53 CO 0.66 -0.18 -0.24 0.54 -0.56 0.00 0.00 175.26 175.48 1xne s VAL 54 N -1.54 1.88 0.02 3.70 0.11 -1.26 0.11 120.40 123.42 1xne s VAL 54 Ca 0.02 -1.00 0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1xne s VAL 54 Cb -0.01 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1xne s VAL 54 CO -0.02 0.53 -0.08 -0.54 -3.33 0.00 0.00 175.10 171.66 1xne s LYS 55 N -0.43 0.55 0.04 1.54 3.01 0.81 -4.98 119.74 120.28 1xne s LYS 55 Ca 0.06 -0.50 0.03 0.00 -1.01 0.00 0.00 55.97 54.55 1xne s LYS 55 Cb -0.10 -0.46 -0.02 0.00 -1.01 0.00 0.00 37.83 36.24 1xne s LYS 55 CO 0.00 0.11 -0.10 0.21 0.51 0.00 0.00 175.35 176.08 1xne s LYS 56 N -0.84 0.64 0.36 1.68 2.20 -1.26 -0.35 119.74 122.17 1xne s LYS 56 Ca -0.03 -0.73 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 1xne s LYS 56 Cb -0.06 -0.52 0.04 0.00 -1.51 0.00 0.00 37.83 35.79 1xne s LYS 56 CO 0.00 0.11 0.75 0.71 -0.36 0.00 0.00 175.35 176.57 1xne s TYR 57 N -1.13 0.13 -0.12 4.03 2.02 -1.21 -4.99 117.35 116.08 1xne s TYR 57 Ca -0.05 -0.74 -0.04 0.00 -0.37 0.00 0.00 57.07 55.87 1xne s TYR 57 Cb -0.09 0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 42.19 1xne s TYR 57 CO 0.01 -1.48 0.03 -1.21 -1.57 0.00 0.00 175.55 171.33 1xne s GLU 58 N -2.66 3.33 0.05 -0.62 2.02 -1.26 -4.63 118.70 114.93 1xne s GLU 58 Ca 0.16 -0.36 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1xne s GLU 58 Cb -0.05 -2.96 0.00 0.00 0.10 0.00 0.00 34.13 31.22 1xne s GLU 58 CO 0.11 0.59 0.00 2.41 0.02 0.00 0.00 175.26 178.39 1xne n THR 59 N 2.53 -0.05 0.02 3.63 -1.04 -1.26 -4.25 114.28 113.86 1xne n THR 59 Ca -0.18 0.07 -0.21 0.00 -2.04 0.00 0.00 64.05 61.68 1xne n THR 59 Cb 0.53 -0.11 -0.14 0.00 -1.82 0.00 0.00 70.33 68.79 1xne n THR 59 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1xne h PHE 60 N -0.12 0.48 -0.76 -1.42 0.04 -1.98 -3.31 116.94 109.87 1xne h PHE 60 Ca -0.01 -0.35 0.14 0.00 2.80 0.00 0.00 57.97 60.54 1xne h PHE 60 Cb 0.12 -0.02 -0.09 0.00 2.20 0.00 0.00 35.95 38.16 1xne h PHE 60 CO 0.00 1.47 0.33 0.07 -0.60 0.00 0.00 178.31 179.58 1xne h ARG 61 N -0.33 0.48 0.02 1.51 -0.00 -1.97 0.36 114.38 114.44 1xne h ARG 61 Ca -0.25 -0.03 0.03 0.00 -0.00 0.00 0.00 59.98 59.73 1xne h ARG 61 Cb 1.72 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 31.54 1xne h ARG 61 CO 0.09 0.32 -0.26 0.37 -0.00 0.00 0.00 179.97 180.48 1xne h GLN 62 N 0.49 -0.40 -0.77 0.08 5.75 -1.74 0.69 115.11 119.21 1xne h GLN 62 Ca 0.41 0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.93 1xne h GLN 62 Cb 0.59 0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 1xne h GLN 62 CO -0.38 -0.27 0.43 0.28 -2.65 0.00 0.00 178.83 176.25 1xne h VAL 63 N -0.42 1.22 -0.10 2.39 2.07 -1.35 0.60 116.25 120.66 1xne h VAL 63 Ca 0.06 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 1xne h VAL 63 Cb 0.49 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1xne h VAL 63 CO -0.22 0.25 -0.16 -0.07 0.02 0.00 0.00 177.57 177.39 1xne h LEU 64 N 1.07 0.15 0.22 2.57 4.07 0.86 0.52 115.31 124.77 1xne h LEU 64 Ca 0.27 -0.03 -0.33 0.00 0.08 0.00 0.00 57.88 57.87 1xne h LEU 64 Cb 0.01 -0.04 0.03 0.00 1.08 0.00 0.00 40.66 41.74 1xne h LEU 64 CO -0.05 0.33 -1.51 0.03 -1.08 0.00 0.00 178.44 176.17 1xne h ARG 65 N 0.15 0.46 0.27 1.13 2.47 0.20 -3.36 114.38 115.70 1xne h ARG 65 Ca 0.03 -0.79 -0.01 0.00 -1.26 0.00 0.00 59.98 57.94 1xne h ARG 65 Cb 0.38 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1xne h ARG 65 CO 0.02 1.37 -0.13 0.93 0.56 0.00 0.00 179.97 182.73 1xne h GLU 66 N 0.13 -0.35 -6.16 0.04 4.39 0.53 -3.45 114.58 109.70 1xne h GLU 66 Ca -0.26 0.02 -0.53 0.00 0.34 0.00 0.00 59.36 58.93 1xne h GLU 66 Cb 2.13 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 30.81 1xne h GLU 66 CO 0.24 -0.00 -0.52 -1.21 -1.16 0.00 0.00 179.01 176.36 1xne s GLU 67 N -4.35 3.09 1.00 2.33 0.41 0.18 -5.08 118.70 116.28 1xne s GLU 67 Ca -0.14 -0.84 -0.15 0.00 -0.41 0.00 0.00 54.97 53.43 1xne s GLU 67 Cb 0.02 -2.73 0.19 0.00 -1.78 0.00 0.00 34.13 29.83 1xne s GLU 67 CO 0.53 0.46 1.18 -1.25 -0.49 0.00 0.00 175.26 175.69 1xne s PRO 68 N -3.44 0.43 -0.09 0.39 0.04 -1.26 -4.36 135.00 126.71 1xne s PRO 68 Ca 0.33 0.02 0.02 0.00 0.04 0.00 0.00 61.00 61.40 1xne s PRO 68 Cb -0.10 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1xne s PRO 68 CO 0.26 -2.63 -0.06 -0.89 0.04 0.00 0.00 177.00 173.72 1xne n ILE 69 N -4.01 0.50 -0.02 0.56 5.41 -1.26 -4.11 119.36 116.43 1xne n ILE 69 Ca 0.10 -0.22 0.18 0.00 1.00 0.00 0.00 62.75 63.82 1xne n ILE 69 Cb 0.59 -0.82 0.64 0.00 -0.71 0.00 0.00 39.64 39.35 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 0.10 0.02 4.38 2.03 -1.95 0.62 116.42 121.62 1xne h ASP 70 Ca -0.20 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1xne h ASP 70 Cb 1.33 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.82 1xne h ASP 70 CO -0.02 0.05 -0.01 0.11 -1.03 0.00 0.00 179.24 178.34 1xne h LYS 71 N 0.10 -0.03 -0.38 4.15 1.79 -1.87 -3.30 116.57 117.03 1xne h LYS 71 Ca 0.26 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.81 1xne h LYS 71 Cb 0.89 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 31.47 1xne h LYS 71 CO -0.03 0.45 -0.18 0.82 -1.08 0.00 0.00 179.45 179.43 1xne h ILE 72 N -0.99 0.46 -3.40 1.86 2.04 -1.51 -3.40 117.51 112.57 1xne h ILE 72 Ca -0.00 0.00 -0.48 0.00 1.00 0.00 0.00 64.86 65.37 1xne h ILE 72 Cb 0.49 0.46 -0.34 0.00 -0.74 0.00 0.00 36.82 36.69 1xne h ILE 72 CO 0.01 0.00 -0.80 -0.36 0.00 0.00 0.00 178.15 177.00 1xne s PHE 73 N -6.16 1.22 -0.15 1.37 0.08 0.21 -4.92 117.98 109.64 1xne s PHE 73 Ca -0.14 -0.45 0.28 0.00 0.12 0.00 0.00 56.93 56.73 1xne s PHE 73 Cb 0.14 -0.96 0.84 0.00 -0.57 0.00 0.00 43.02 42.47 1xne s PHE 73 CO 0.70 -0.28 1.79 -1.00 -0.10 0.00 0.00 175.22 176.33 1xne h PRO 74 N 7.23 0.00 0.00 0.24 0.13 -1.78 -2.90 132.00 134.92 1xne h PRO 74 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 0.46 0.02 -0.00 -0.44 -0.23 0.00 0.00 178.00 177.81 1xne h ASP 75 N 0.00 0.00 -5.54 1.44 3.32 -1.91 -3.46 116.42 110.26 1xne h ASP 75 Ca -0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1xne h ASP 75 Cb 0.77 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.41 1xne h ASP 75 CO 0.00 0.00 -0.49 0.29 -1.72 0.00 0.00 179.24 177.33 1xne n LYS 76 N -3.23 -1.70 -1.52 3.56 5.02 -1.09 -4.99 118.16 114.20 1xne n LYS 76 Ca -0.03 1.11 -0.30 0.00 -2.02 0.00 0.00 58.31 57.08 1xne n LYS 76 Cb 0.08 -5.49 0.21 0.00 -0.02 0.00 0.00 35.03 29.81 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 -3.93 -0.16 0.16 1.97 0.04 -1.26 -5.07 135.00 126.75 1xne s PRO 77 Ca 0.23 -0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.12 1xne s PRO 77 Cb -0.04 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1xne s PRO 77 CO 0.76 -2.98 0.14 -1.12 0.04 0.00 0.00 177.00 173.84 1xne s SER 78 N -4.38 5.55 0.38 6.66 0.01 -1.26 -4.94 113.70 115.72 1xne s SER 78 Ca 0.72 -0.11 0.18 0.00 1.31 0.00 0.00 55.95 58.05 1xne s SER 78 Cb -0.07 -1.46 1.12 0.00 0.21 0.00 0.00 66.02 65.81 1xne s SER 78 CO 0.54 0.07 1.72 0.15 0.41 0.00 0.00 173.24 176.13 1xne h PHE 79 N 2.45 0.75 -0.05 2.43 3.04 -1.99 0.35 116.94 123.93 1xne h PHE 79 Ca -0.48 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.39 1xne h PHE 79 Cb 1.20 -0.21 0.01 0.00 2.56 0.00 0.00 35.95 39.51 1xne h PHE 79 CO 0.58 -0.03 -0.41 1.49 -2.02 0.00 0.00 178.31 177.91 1xne h GLU 80 N 0.36 0.37 -0.59 1.11 4.22 -1.99 -2.84 114.58 115.22 1xne h GLU 80 Ca 0.67 -0.33 0.07 0.00 0.08 0.00 0.00 59.36 59.85 1xne h GLU 80 Cb 1.68 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.95 1xne h GLU 80 CO -0.41 0.98 0.27 -0.22 -2.18 0.00 0.00 179.01 177.45 1xne h LYS 81 N -0.13 0.48 -0.18 1.92 3.64 -0.91 0.23 116.57 121.62 1xne h LYS 81 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1xne h LYS 81 Cb 1.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.79 1xne h LYS 81 CO 0.08 0.32 0.12 0.00 -2.27 0.00 0.00 179.45 177.70 1xne h ALA 82 N 1.36 1.89 0.11 5.00 0.00 -0.53 0.48 119.26 127.57 1xne h ALA 82 Ca 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1xne h ALA 82 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xne h ALA 82 CO -0.23 0.10 -0.05 1.25 0.00 0.00 0.00 179.25 180.31 1xne h LEU 83 N 0.22 -0.12 0.56 0.00 5.85 -0.33 -0.80 115.31 120.69 1xne h LEU 83 Ca 0.07 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1xne h LEU 83 Cb -0.00 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xne h LEU 83 CO -0.01 0.11 -0.27 0.50 -0.34 0.00 0.00 178.44 178.42 1xne h LYS 84 N -0.35 -0.72 -0.97 1.25 3.64 -0.49 -3.06 116.57 115.88 1xne h LYS 84 Ca -0.01 0.05 0.30 0.00 -1.27 0.00 0.00 60.65 59.72 1xne h LYS 84 Cb 0.29 0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 32.10 1xne h LYS 84 CO 0.02 -0.42 0.23 0.00 -2.27 0.00 0.00 179.45 177.02 1xne h ARG 85 N -1.06 0.06 -2.27 1.90 3.08 -0.11 0.32 114.38 116.30 1xne h ARG 85 Ca -0.08 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.45 1xne h ARG 85 Cb 0.64 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 30.55 1xne h ARG 85 CO 0.13 0.04 1.16 1.19 -1.07 0.00 0.00 179.97 181.41 1xne n PHE 86 N -5.35 1.63 0.04 3.04 3.01 -0.31 -3.86 117.46 115.67 1xne n PHE 86 Ca 0.27 -2.21 0.00 0.00 1.01 0.00 0.00 57.45 56.51 1xne n PHE 86 Cb 0.88 -1.67 0.00 0.00 -0.01 0.00 0.00 39.48 38.68 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 1.72 -2.18 -0.16 1.38 -0.00 0.83 -4.93 115.22 111.88 1xne n HIS 87 Ca 0.55 0.30 -0.07 0.00 0.46 0.00 0.00 57.72 58.95 1xne n HIS 87 Cb 0.51 1.00 -0.01 0.00 -0.12 0.00 0.00 29.99 31.37 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 -1.18 -0.93 0.26 -0.73 -0.89 -3.42 115.58 108.70 1xne h ASN 88 Ca 0.00 0.21 -0.72 0.00 1.87 0.00 0.00 56.30 57.66 1xne h ASN 88 Cb 0.00 0.56 0.05 0.00 0.27 0.00 0.00 38.32 39.20 1xne h ASN 88 CO 0.00 -0.32 -0.01 0.23 -0.37 0.00 0.00 177.43 176.97 1xne n MET 89 N -5.42 0.00 -2.93 6.67 2.81 -1.25 -3.24 117.12 113.76 1xne n MET 89 Ca 0.02 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.85 1xne n MET 89 Cb 0.35 -1.34 0.01 0.00 -0.71 0.00 0.00 33.22 31.52 1xne n MET 89 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1xne n TYR 90 N 1.24 -2.93 0.01 2.03 4.01 -1.26 -4.93 117.16 115.32 1xne n TYR 90 Ca 0.18 1.26 -0.18 0.00 -0.16 0.00 0.00 57.90 59.00 1xne n TYR 90 Cb 0.09 -3.18 -0.10 0.00 -0.31 0.00 0.00 39.34 35.85 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 2.84 0.61 0.00 -0.72 0.13 -1.84 -3.46 132.00 129.56 1xne h PRO 91 Ca -0.06 -0.59 -0.34 0.00 -0.87 0.00 0.00 66.00 64.14 1xne h PRO 91 Cb 0.58 0.15 0.20 0.00 0.13 0.00 0.00 31.00 32.07 1xne h PRO 91 CO 0.11 1.21 -0.17 0.36 -0.23 0.00 0.00 178.00 179.28 1xne n LYS 92 N -4.04 -4.58 -3.12 0.86 2.85 -1.26 -4.42 118.16 104.45 1xne n LYS 92 Ca -0.10 -1.36 -0.04 0.00 -1.05 0.00 0.00 58.31 55.76 1xne n LYS 92 Cb 0.75 -1.81 0.00 0.00 -0.65 0.00 0.00 35.03 33.32 1xne n LYS 92 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1xne n TRP 93 N -5.66 -2.95 -2.22 5.58 8.01 -1.26 -4.78 117.44 114.16 1xne n TRP 93 Ca 0.13 1.14 -0.32 0.00 -1.31 0.00 0.00 57.50 57.14 1xne n TRP 93 Cb 0.56 -3.93 -0.04 0.00 -2.01 0.00 0.00 31.31 25.89 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 -3.15 2.92 0.08 -0.99 1.02 -1.26 -4.86 119.74 113.50 1xne s LYS 94 Ca 0.04 -1.16 -0.06 0.00 0.02 0.00 0.00 55.97 54.81 1xne s LYS 94 Cb -0.01 -5.28 -0.01 0.00 -0.52 0.00 0.00 37.83 32.01 1xne s LYS 94 CO 0.77 -3.34 0.11 -1.21 -0.92 0.00 0.00 175.35 170.77 1xne s GLU 95 N 5.97 0.76 0.40 1.68 8.01 -1.26 -5.16 118.70 129.11 1xne s GLU 95 Ca 0.64 -1.05 -0.17 0.00 0.01 0.00 0.00 54.97 54.40 1xne s GLU 95 Cb -0.01 0.30 -0.09 0.00 -4.31 0.00 0.00 34.13 30.01 1xne s GLU 95 CO 0.07 -0.21 0.86 0.71 0.01 0.00 0.00 175.26 176.70 1xne s TYR 96 N -3.88 3.37 0.18 1.61 2.02 -1.26 -5.07 117.35 114.31 1xne s TYR 96 Ca 0.06 1.39 -0.23 0.00 -0.37 0.00 0.00 57.07 57.91 1xne s TYR 96 Cb 0.06 -2.68 0.06 0.00 -0.40 0.00 0.00 41.96 38.99 1xne s TYR 96 CO -0.11 -0.07 0.75 -0.98 -1.57 0.00 0.00 175.55 173.58 1xne s ARG 97 N -3.30 1.38 0.00 -0.62 1.70 -1.26 -5.19 118.95 111.67 1xne s ARG 97 Ca 0.58 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 1xne s ARG 97 Cb -0.10 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 34.82 1xne s ARG 97 CO 0.19 -0.62 0.00 2.48 -1.08 0.00 0.00 175.30 176.27 1xne n TYR 98 N -0.41 -0.24 0.00 5.89 4.11 -1.26 -5.09 117.16 120.16 1xne n TYR 98 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.81 1xne n TYR 98 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.96 1xne n TYR 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xne n GLY 99 N 0.00 -0.38 3.25 -7.48 0.00 -1.26 -4.68 105.19 94.64 1xne n GLY 99 Ca 0.00 0.30 -0.08 0.00 0.00 0.00 0.00 46.02 46.24 1xne n GLY 99 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1xne n VAL 100 N 0.00 -2.49 -3.75 1.61 3.14 -1.26 -4.08 118.33 111.49 1xne n VAL 100 Ca 0.00 0.43 -0.13 0.00 -2.96 0.00 0.00 64.34 61.68 1xne n VAL 100 Cb 0.00 -3.15 -0.13 0.00 -1.06 0.00 0.00 33.84 29.50 1xne n VAL 100 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1xne s LEU 101 N -1.30 0.70 -0.34 6.55 2.96 -1.26 -3.33 118.68 122.66 1xne s LEU 101 Ca 0.08 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.43 1xne s LEU 101 Cb -0.01 0.66 0.08 0.00 0.50 0.00 0.00 46.19 47.42 1xne s LEU 101 CO 0.19 -0.14 0.06 0.00 -1.32 0.00 0.00 176.35 175.14 1xne s ALA 102 N 0.91 2.91 -0.19 5.97 0.00 0.53 -3.35 121.76 128.54 1xne s ALA 102 Ca -0.07 -2.12 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 1xne s ALA 102 Cb -0.08 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.93 1xne s ALA 102 CO -0.06 -1.49 0.14 0.42 0.00 0.00 0.00 175.76 174.78 1xne s ILE 103 N 1.15 5.41 -0.23 0.00 1.01 -1.01 -0.14 121.20 127.39 1xne s ILE 103 Ca 0.01 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.81 1xne s ILE 103 Cb -0.21 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1xne s ILE 103 CO -0.03 0.45 0.06 -0.75 0.00 0.00 0.00 174.94 174.67 1xne s LYS 104 N 0.28 3.71 0.08 2.79 2.20 0.31 -0.17 119.74 128.93 1xne s LYS 104 Ca 0.09 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.26 1xne s LYS 104 Cb -0.11 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1xne s LYS 104 CO -0.01 -0.10 -0.08 -0.59 -0.36 0.00 0.00 175.35 174.22 1xne s PHE 105 N 1.36 0.85 -0.16 4.03 -0.12 -0.50 -0.15 117.98 123.28 1xne s PHE 105 Ca 0.05 -0.74 -0.00 0.00 -0.05 0.00 0.00 56.93 56.20 1xne s PHE 105 Cb -0.15 -0.49 0.04 0.00 -0.63 0.00 0.00 43.02 41.79 1xne s PHE 105 CO 0.03 -0.10 -0.08 1.03 -0.05 0.00 0.00 175.22 176.05 1xne s ARG 106 N -2.92 1.73 0.13 1.99 0.52 0.20 -4.62 118.95 115.99 1xne s ARG 106 Ca 0.04 -0.56 -0.32 0.00 -0.52 0.00 0.00 55.73 54.36 1xne s ARG 106 Cb -0.01 -2.06 -0.12 0.00 0.52 0.00 0.00 34.95 33.28 1xne s ARG 106 CO -0.02 -0.37 1.74 1.55 0.02 0.00 0.00 175.30 178.22 1xne n VAL 107 N 4.82 0.20 -2.66 3.52 3.14 -1.26 -1.06 118.33 125.03 1xne n VAL 107 Ca -0.13 -0.04 -0.42 0.00 -2.96 0.00 0.00 64.34 60.79 1xne n VAL 107 Cb 0.48 -1.90 -0.03 0.00 -1.06 0.00 0.00 33.84 31.33 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 1.99 3.62 0.00 6.55 1.43 -1.07 -4.51 118.68 126.69 1xne s LEU 108 Ca 0.81 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1xne s LEU 108 Cb -0.57 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1xne s LEU 108 CO 0.38 -1.68 0.00 0.61 0.23 0.00 0.00 176.35 175.89 1xne n GLY 109 N 5.44 0.85 3.14 -3.19 0.00 -1.26 -4.78 105.19 105.39 1xne n GLY 109 Ca 0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.46 -1.33 1.61 0.63 -1.26 -4.74 116.66 110.10 1xne n ARG 110 Ca 0.00 -0.42 0.16 0.00 -0.92 0.00 0.00 57.85 56.66 1xne n ARG 110 Cb 0.00 -1.48 -0.07 0.00 0.45 0.00 0.00 32.46 31.35 1xne n ARG 110 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1xne n ASP 111 N -0.47 -7.11 -4.50 6.15 2.03 -1.26 -4.81 116.55 106.58 1xne n ASP 111 Ca 0.01 1.13 -0.29 0.00 0.52 0.00 0.00 54.79 56.17 1xne n ASP 111 Cb 0.56 -4.47 0.23 0.00 -0.72 0.00 0.00 41.12 36.73 1xne n ASP 111 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1xne n LYS 112 N -4.12 -1.98 0.00 -0.67 -0.00 -1.26 -5.08 118.16 105.05 1xne n LYS 112 Ca -0.06 -0.54 0.00 0.00 -0.00 0.00 0.00 58.31 57.70 1xne n LYS 112 Cb 0.62 -2.17 0.00 0.00 -0.00 0.00 0.00 35.03 33.48 1xne n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49