#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cne s ARG 12 N 0.00 0.74 0.15 1.61 3.52 -1.26 -3.82 118.95 119.90 1cne s ARG 12 Ca 0.00 0.44 -0.24 0.00 -0.13 0.00 0.00 55.73 55.80 1cne s ARG 12 Cb 0.00 -1.78 0.07 0.00 -1.56 0.00 0.00 34.95 31.68 1cne s ARG 12 CO 0.00 -2.50 0.66 0.42 -0.81 0.00 0.00 175.30 173.07 1cne s ILE 13 N -3.09 0.00 -0.68 4.11 1.01 -1.26 -4.91 121.20 116.39 1cne s ILE 13 Ca 0.65 -0.13 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1cne s ILE 13 Cb -0.17 -1.13 0.16 0.00 0.01 0.00 0.00 42.46 41.33 1cne s ILE 13 CO 0.56 0.00 0.46 -1.00 0.00 0.00 0.00 174.94 174.96 1cne s HIS 14 N -3.68 3.51 0.00 3.97 3.76 -1.26 -3.79 115.29 117.80 1cne s HIS 14 Ca 0.03 -3.28 0.00 0.00 -0.15 0.00 0.00 55.06 51.65 1cne s HIS 14 Cb -0.02 -2.77 0.00 0.00 1.11 0.00 0.00 32.58 30.90 1cne s HIS 14 CO -0.10 -0.60 0.00 0.00 -0.85 0.00 0.00 174.74 173.19 1cne n ARG 16 N 0.00 0.00 -2.78 0.00 0.63 -1.24 -3.53 116.66 109.74 1cne n ARG 16 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 1cne n ARG 16 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 1cne n ARG 16 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1cne s LEU 17 N 0.00 4.51 0.36 6.15 2.96 0.37 -2.73 118.68 130.30 1cne s LEU 17 Ca 0.00 -2.69 0.04 0.00 -0.22 0.00 0.00 54.13 51.25 1cne s LEU 17 Cb 0.00 -2.48 0.68 0.00 0.50 0.00 0.00 46.19 44.89 1cne s LEU 17 CO 0.00 -0.95 2.01 0.58 -1.32 0.00 0.00 176.35 176.66 1cne h VAL 18 N 5.14 1.13 -1.65 1.68 2.07 -1.54 0.83 116.25 123.91 1cne h VAL 18 Ca 0.36 -0.28 0.24 0.00 0.82 0.00 0.00 66.70 67.84 1cne h VAL 18 Cb 0.88 0.25 -0.17 0.00 -1.52 0.00 0.00 31.29 30.73 1cne h VAL 18 CO 1.33 0.15 0.75 0.00 0.02 0.00 0.00 177.57 179.82 1cne s ALA 19 N -5.69 -2.04 -0.04 1.67 0.00 -1.06 -4.73 121.76 109.87 1cne s ALA 19 Ca -0.10 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.21 1cne s ALA 19 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1cne s ALA 19 CO 0.76 -0.69 -0.13 0.21 0.00 0.00 0.00 175.76 175.91 1cne s LYS 20 N -2.58 1.45 -0.33 0.00 2.20 -1.26 0.11 119.74 119.33 1cne s LYS 20 Ca 0.09 -0.44 -0.01 0.00 -0.36 0.00 0.00 55.97 55.25 1cne s LYS 20 Cb -0.00 -1.27 0.12 0.00 -1.51 0.00 0.00 37.83 35.17 1cne s LYS 20 CO -0.05 0.13 0.17 0.21 -0.36 0.00 0.00 175.35 175.45 1cne s LYS 21 N 0.28 0.55 -1.30 4.03 2.20 0.21 -4.98 119.74 120.73 1cne s LYS 21 Ca -0.07 -1.10 -0.18 0.00 -0.36 0.00 0.00 55.97 54.26 1cne s LYS 21 Cb -0.12 -1.50 0.03 0.00 -1.51 0.00 0.00 37.83 34.74 1cne s LYS 21 CO 0.02 -1.10 1.87 -0.85 -0.36 0.00 0.00 175.35 174.93 1cne n GLU 22 N 4.52 2.86 0.11 4.03 0.28 -1.26 0.78 120.64 131.96 1cne n GLU 22 Ca 0.03 -2.98 0.00 0.00 -0.16 0.00 0.00 57.16 54.05 1cne n GLU 22 Cb 0.39 -3.46 0.00 0.00 1.43 0.00 0.00 31.44 29.80 1cne n GLU 22 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1cne n LEU 23 N 8.63 0.00 0.00 -1.84 4.77 0.46 -4.58 117.00 124.44 1cne n LEU 23 Ca 0.49 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1cne n LEU 23 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1cne n LEU 23 CO 0.80 -0.16 0.00 -1.54 -1.33 0.00 0.00 177.39 175.16 1cne n SER 24 N -1.12 0.00 0.00 -1.43 3.41 -1.12 -4.93 113.62 108.43 1cne n SER 24 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1cne n SER 24 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1cne n SER 24 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1cne n ARG 25 N -0.48 0.00 -2.59 4.33 0.63 -1.26 0.46 116.66 117.75 1cne n ARG 25 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1cne n ARG 25 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1cne n ARG 25 CO 0.00 0.00 0.00 -0.40 -2.51 0.00 0.00 177.63 174.72 1cne n ASP 26 N -0.17 2.57 -3.86 6.15 5.75 -1.26 -5.02 116.55 120.72 1cne n ASP 26 Ca 0.00 -2.87 -0.30 0.00 -0.01 0.00 0.00 54.79 51.61 1cne n ASP 26 Cb 0.00 -0.48 -0.15 0.00 -1.03 0.00 0.00 41.12 39.46 1cne n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1cne s VAL 27 N -3.97 1.49 0.48 2.12 1.01 0.17 -1.56 120.40 120.14 1cne s VAL 27 Ca 0.34 -1.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.36 1cne s VAL 27 Cb 0.41 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 1cne s VAL 27 CO -0.03 -0.65 0.89 -0.13 0.00 0.00 0.00 175.10 175.18 1cne s ARG 28 N 1.28 3.83 -0.31 2.72 1.81 0.19 0.17 118.95 128.63 1cne s ARG 28 Ca 0.10 0.70 -0.02 0.00 -1.72 0.00 0.00 55.73 54.79 1cne s ARG 28 Cb -0.18 -2.25 0.11 0.00 -0.45 0.00 0.00 34.95 32.18 1cne s ARG 28 CO -0.17 -0.20 0.13 -1.17 -0.68 0.00 0.00 175.30 173.21 1cne s LEU 29 N -4.11 1.49 -0.00 2.53 2.96 0.23 0.43 118.68 122.21 1cne s LEU 29 Ca 0.55 -1.61 -0.22 0.00 -0.22 0.00 0.00 54.13 52.63 1cne s LEU 29 Cb -0.10 -0.63 -0.05 0.00 0.50 0.00 0.00 46.19 45.90 1cne s LEU 29 CO 0.34 -0.41 0.65 -0.36 -1.32 0.00 0.00 176.35 175.25 1cne s PHE 30 N 1.68 3.68 -0.85 5.38 0.08 0.19 0.66 117.98 128.79 1cne s PHE 30 Ca 0.11 1.27 0.01 0.00 0.12 0.00 0.00 56.93 58.44 1cne s PHE 30 Cb -0.18 -2.69 0.31 0.00 -0.57 0.00 0.00 43.02 39.90 1cne s PHE 30 CO -0.26 0.29 1.34 -2.13 -0.10 0.00 0.00 175.22 174.36 1cne n ARG 31 N 2.92 4.17 -2.60 0.44 3.00 0.30 -2.16 116.66 122.72 1cne n ARG 31 Ca -0.05 -4.71 -0.43 0.00 -0.00 0.00 0.00 57.85 52.66 1cne n ARG 31 Cb 0.51 -2.38 -0.02 0.00 0.00 0.00 0.00 32.46 30.57 1cne n ARG 31 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1cne s PHE 32 N -3.50 2.79 1.06 -0.14 0.08 -1.24 -1.42 117.98 115.61 1cne s PHE 32 Ca 0.41 0.68 -0.17 0.00 0.12 0.00 0.00 56.93 57.96 1cne s PHE 32 Cb 0.18 -4.45 0.24 0.00 -0.57 0.00 0.00 43.02 38.42 1cne s PHE 32 CO -0.07 -1.30 1.25 -1.54 -0.10 0.00 0.00 175.22 173.46 1cne s SER 33 N 2.51 2.25 0.40 1.36 1.04 -1.10 -2.40 113.70 117.76 1cne s SER 33 Ca 0.47 0.36 0.03 0.00 0.48 0.00 0.00 55.95 57.29 1cne s SER 33 Cb -0.07 -0.45 -0.01 0.00 0.10 0.00 0.00 66.02 65.60 1cne s SER 33 CO 0.31 -3.28 0.59 -0.76 0.98 0.00 0.00 173.24 171.08 1cne s LEU 34 N -6.28 3.79 0.12 2.42 1.43 0.55 -3.62 118.68 117.09 1cne s LEU 34 Ca 0.73 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1cne s LEU 34 Cb -0.05 -3.00 -0.09 0.00 0.03 0.00 0.00 46.19 43.07 1cne s LEU 34 CO 0.54 -0.58 1.40 1.55 0.23 0.00 0.00 176.35 179.49 1cne h PRO 35 N 0.60 0.84 -4.70 1.29 0.13 -1.87 -3.40 132.00 124.90 1cne h PRO 35 Ca -0.46 -0.53 -0.67 0.00 -0.87 0.00 0.00 66.00 63.47 1cne h PRO 35 Cb 1.25 0.06 -0.38 0.00 0.13 0.00 0.00 31.00 32.07 1cne h PRO 35 CO 0.56 1.16 -0.71 -1.12 -0.23 0.00 0.00 178.00 177.66 1cne s SER 36 N -6.88 4.79 -1.22 1.44 0.01 -1.26 -5.05 113.70 105.53 1cne s SER 36 Ca -0.11 -1.89 -0.19 0.00 1.31 0.00 0.00 55.95 55.07 1cne s SER 36 Cb 0.10 -1.65 0.08 0.00 0.21 0.00 0.00 66.02 64.75 1cne s SER 36 CO 0.88 -0.35 1.63 -2.84 0.41 0.00 0.00 173.24 172.97 1cne s PRO 37 N 1.02 3.91 0.00 12.44 0.02 -1.26 -3.10 135.00 148.02 1cne s PRO 37 Ca 0.05 -1.88 0.00 0.00 0.02 0.00 0.00 61.00 59.19 1cne s PRO 37 Cb -0.20 -5.43 0.00 0.00 0.02 0.00 0.00 34.50 28.89 1cne s PRO 37 CO -0.06 -2.18 0.00 -0.40 -0.33 0.00 0.00 177.00 174.03 1cne n ASP 38 N 8.15 0.00 -4.63 2.53 5.75 -1.26 -4.88 116.55 122.20 1cne n ASP 38 Ca 0.44 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.93 1cne n ASP 38 Cb 0.47 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.45 1cne n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1cne s GLN 39 N 0.00 1.98 0.31 0.11 -2.07 -1.18 -4.93 119.66 113.88 1cne s GLN 39 Ca 0.00 -2.14 0.10 0.00 -1.82 0.00 0.00 55.36 51.50 1cne s GLN 39 Cb 0.00 -1.59 -0.05 0.00 -1.09 0.00 0.00 33.01 30.28 1cne s GLN 39 CO 0.00 -0.10 -0.04 0.14 -1.32 0.00 0.00 175.29 173.98 1cne s VAL 40 N -2.75 2.79 -1.31 3.63 -7.23 -1.26 -0.34 120.40 113.92 1cne s VAL 40 Ca 0.31 -2.05 -0.13 0.00 -1.81 0.00 0.00 61.98 58.31 1cne s VAL 40 Cb 0.09 -2.71 0.13 0.00 0.56 0.00 0.00 36.38 34.45 1cne s VAL 40 CO 0.16 -0.28 1.84 -0.11 -0.31 0.00 0.00 175.10 176.40 1cne n LEU 41 N -0.87 6.16 -3.65 1.32 7.94 -1.26 -4.91 117.00 121.73 1cne n LEU 41 Ca -0.05 -4.39 -0.42 0.00 -1.11 0.00 0.00 56.01 50.04 1cne n LEU 41 Cb 0.61 -1.59 -0.08 0.00 0.53 0.00 0.00 43.42 42.89 1cne n LEU 41 CO 0.41 1.01 1.80 0.61 -1.11 0.00 0.00 177.39 180.11 1cne n GLY 42 N 3.73 1.58 3.43 -3.96 0.00 -1.26 -4.90 105.19 103.80 1cne n GLY 42 Ca 0.43 -1.07 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 1cne n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cne s LEU 43 N 1.66 5.29 0.04 0.99 0.20 -1.26 -5.01 118.68 120.59 1cne s LEU 43 Ca 0.63 -1.07 -0.33 0.00 0.69 0.00 0.00 54.13 54.05 1cne s LEU 43 Cb 0.13 -2.24 -0.17 0.00 -0.43 0.00 0.00 46.19 43.48 1cne s LEU 43 CO 0.22 -0.62 0.84 -2.65 -0.29 0.00 0.00 176.35 173.85 1cne n PRO 44 N 5.38 0.00 -1.79 0.98 -0.02 -1.26 -4.72 135.00 133.58 1cne n PRO 44 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.05 1cne n PRO 44 Cb 0.45 -1.24 -0.04 0.00 -0.02 0.00 0.00 33.50 32.65 1cne n PRO 44 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1cne s ILE 45 N -0.20 3.18 0.00 4.25 -4.36 -1.26 -1.15 121.20 121.66 1cne s ILE 45 Ca 0.76 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 61.16 1cne s ILE 45 Cb -1.07 -3.46 0.00 0.00 1.25 0.00 0.00 42.46 39.18 1cne s ILE 45 CO 0.51 -0.45 0.00 0.61 0.24 0.00 0.00 174.94 175.85 1cne n GLY 46 N 6.14 -0.48 0.94 6.27 0.00 -1.26 0.20 105.19 117.00 1cne n GLY 46 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.27 1cne n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cne n LYS 47 N 0.00 1.41 -3.45 1.61 5.02 -0.30 -3.32 118.16 119.12 1cne n LYS 47 Ca 0.00 -0.96 -0.11 0.00 -2.02 0.00 0.00 58.31 55.22 1cne n LYS 47 Cb 0.00 0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 35.33 1cne n LYS 47 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1cne s HIS 48 N -1.63 -0.49 0.62 2.13 -3.43 -1.26 -4.79 115.29 106.44 1cne s HIS 48 Ca 0.02 0.28 -0.05 0.00 -0.80 0.00 0.00 55.06 54.51 1cne s HIS 48 Cb 0.00 0.56 0.03 0.00 -1.43 0.00 0.00 32.58 31.74 1cne s HIS 48 CO 0.01 -0.81 0.91 0.96 -2.00 0.00 0.00 174.74 173.82 1cne s ILE 49 N -3.64 3.14 -0.51 -5.38 -4.36 0.24 -3.00 121.20 107.68 1cne s ILE 49 Ca 0.02 -0.17 0.07 0.00 -0.26 0.00 0.00 60.65 60.31 1cne s ILE 49 Cb -0.01 -3.27 0.35 0.00 1.25 0.00 0.00 42.46 40.78 1cne s ILE 49 CO -0.11 -0.27 0.90 0.49 0.24 0.00 0.00 174.94 176.19 1cne n PHE 50 N -2.64 2.97 -1.02 1.37 3.72 -1.26 -0.84 117.46 119.76 1cne n PHE 50 Ca 0.06 -3.88 -0.44 0.00 -0.05 0.00 0.00 57.45 53.13 1cne n PHE 50 Cb 0.59 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.60 1cne n PHE 50 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1cne n VAL 51 N -0.12 0.00 -3.47 -4.37 0.31 -1.10 -4.32 118.33 105.26 1cne n VAL 51 Ca 0.29 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.23 1cne n VAL 51 Cb 0.48 -0.35 -0.10 0.00 -0.91 0.00 0.00 33.84 32.96 1cne n VAL 51 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1cne s ALA 53 N 1.91 0.78 -0.20 0.00 0.00 -1.26 -3.68 121.76 119.32 1cne s ALA 53 Ca 0.10 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.57 1cne s ALA 53 Cb -0.16 -1.43 -0.08 0.00 0.00 0.00 0.00 23.12 21.45 1cne s ALA 53 CO 0.11 -1.65 2.12 0.25 0.00 0.00 0.00 175.76 176.59 1cne n THR 54 N 5.18 0.40 -3.81 0.00 -2.24 -1.26 -3.53 114.28 109.02 1cne n THR 54 Ca -0.05 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.28 1cne n THR 54 Cb 0.42 -2.17 -0.15 0.00 -2.10 0.00 0.00 70.33 66.33 1cne n THR 54 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1cne s ILE 55 N 6.82 -0.04 0.00 2.28 1.10 0.37 -4.94 121.20 126.80 1cne s ILE 55 Ca 1.00 0.13 0.00 0.00 -0.51 0.00 0.00 60.65 61.28 1cne s ILE 55 Cb -0.55 -0.06 0.00 0.00 0.15 0.00 0.00 42.46 42.01 1cne s ILE 55 CO 0.43 0.05 0.00 -0.62 -2.11 0.00 0.00 174.94 172.69 1cne n GLU 56 N 3.75 0.00 -0.06 3.50 1.02 -1.26 -1.12 120.64 126.48 1cne n GLU 56 Ca -0.22 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.95 1cne n GLU 56 Cb 0.54 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.02 1cne n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cne n GLY 57 N 0.00 3.32 3.63 0.62 0.00 -1.26 -5.01 105.19 106.48 1cne n GLY 57 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1cne n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1cne s LYS 58 N -1.39 1.99 -0.32 1.61 2.20 -0.27 -5.06 119.74 118.50 1cne s LYS 58 Ca 0.11 -2.20 0.06 0.00 -0.36 0.00 0.00 55.97 53.58 1cne s LYS 58 Cb 0.08 -1.29 0.46 0.00 -1.51 0.00 0.00 37.83 35.56 1cne s LYS 58 CO 0.03 -0.26 1.22 1.47 -0.36 0.00 0.00 175.35 177.45 1cne n LEU 59 N -1.02 5.04 -0.35 5.43 -0.00 -1.26 0.14 117.00 124.97 1cne n LEU 59 Ca -0.10 -4.76 0.00 0.00 -0.00 0.00 0.00 56.01 51.15 1cne n LEU 59 Cb 0.67 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.71 1cne n LEU 59 CO 0.42 2.09 0.00 0.00 -0.00 0.00 0.00 177.39 179.90 1cne s MET 61 N -0.45 2.81 -0.21 0.00 1.75 -1.26 -4.51 119.30 117.42 1cne s MET 61 Ca 0.00 0.22 -0.06 0.00 -1.25 0.00 0.00 55.69 54.61 1cne s MET 61 Cb 0.00 -4.44 -0.03 0.00 2.84 0.00 0.00 34.83 33.20 1cne s MET 61 CO 0.00 -2.62 0.02 1.03 -0.65 0.00 0.00 175.02 172.80 1cne s ARG 62 N 6.61 3.63 0.40 4.11 3.00 -1.22 -4.96 118.95 130.53 1cne s ARG 62 Ca 0.58 -0.51 -0.27 0.00 0.00 0.00 0.00 55.73 55.54 1cne s ARG 62 Cb -0.10 -3.15 -0.09 0.00 0.00 0.00 0.00 34.95 31.61 1cne s ARG 62 CO 0.16 -0.04 1.36 0.00 0.00 0.00 0.00 175.30 176.78 1cne s ALA 63 N 1.15 3.34 -0.19 2.13 0.00 -1.26 -2.70 121.76 124.23 1cne s ALA 63 Ca 0.03 1.34 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 1cne s ALA 63 Cb -0.14 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.50 1cne s ALA 63 CO 0.02 -0.92 0.49 0.71 0.00 0.00 0.00 175.76 176.07 1cne s TYR 64 N -1.21 -0.57 -0.23 0.00 1.51 -0.02 -4.92 117.35 111.92 1cne s TYR 64 Ca 0.56 1.35 -0.02 0.00 -1.01 0.00 0.00 57.07 57.95 1cne s TYR 64 Cb -0.41 0.21 0.01 0.00 -0.11 0.00 0.00 41.96 41.66 1cne s TYR 64 CO 0.53 -0.28 -0.07 0.99 -1.11 0.00 0.00 175.55 175.61 1cne s THR 65 N 0.43 2.98 0.90 -0.71 2.01 -1.26 0.80 115.64 120.79 1cne s THR 65 Ca -0.01 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.08 1cne s THR 65 Cb -0.04 -2.42 0.13 0.00 0.01 0.00 0.00 72.50 70.18 1cne s THR 65 CO -0.01 0.34 1.09 -2.16 -0.69 0.00 0.00 174.62 173.18 1cne s PRO 66 N 1.39 1.23 -0.08 4.92 0.04 -1.26 -4.73 135.00 136.50 1cne s PRO 66 Ca 0.03 0.89 0.12 0.00 0.04 0.00 0.00 61.00 62.08 1cne s PRO 66 Cb -0.15 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.41 1cne s PRO 66 CO -0.05 -2.28 0.14 0.25 0.04 0.00 0.00 177.00 175.10 1cne n THR 67 N -3.92 0.52 -0.52 1.26 -2.24 -0.01 -4.89 114.28 104.47 1cne n THR 67 Ca 0.07 -0.44 -0.27 0.00 -2.27 0.00 0.00 64.05 61.14 1cne n THR 67 Cb 0.55 -0.33 0.20 0.00 -2.10 0.00 0.00 70.33 68.65 1cne n THR 67 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1cne n SER 68 N -2.27 -2.83 -4.74 3.42 2.88 -1.26 -4.83 113.62 103.99 1cne n SER 68 Ca -0.13 -0.35 -0.42 0.00 -1.33 0.00 0.00 58.87 56.64 1cne n SER 68 Cb 0.69 -0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 63.19 1cne n SER 68 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1cne s MET 69 N -3.83 4.22 0.52 -1.46 -1.94 -1.26 -4.90 119.30 110.64 1cne s MET 69 Ca 0.53 2.39 0.22 0.00 -1.71 0.00 0.00 55.69 57.12 1cne s MET 69 Cb -0.11 -3.10 1.39 0.00 2.01 0.00 0.00 34.83 35.01 1cne s MET 69 CO 0.54 -0.54 2.11 -0.24 -0.01 0.00 0.00 175.02 176.88 1cne h VAL 70 N 3.67 0.79 -0.05 -6.03 3.04 -1.98 -0.49 116.25 115.20 1cne h VAL 70 Ca -0.45 -0.35 -0.14 0.00 -1.01 0.00 0.00 66.70 64.75 1cne h VAL 70 Cb 1.21 1.20 -0.01 0.00 -2.01 0.00 0.00 31.29 31.68 1cne h VAL 70 CO 0.83 0.09 -0.59 -2.24 -1.01 0.00 0.00 177.57 174.65 1cne h ASP 71 N 0.00 0.20 -1.64 3.17 2.03 -2.00 -3.44 116.42 114.74 1cne h ASP 71 Ca -0.00 -0.12 -0.64 0.00 -0.73 0.00 0.00 57.03 55.54 1cne h ASP 71 Cb 0.20 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 38.64 1cne h ASP 71 CO 0.01 0.75 1.29 -0.62 -1.03 0.00 0.00 179.24 179.64 1cne n GLU 72 N -3.87 1.67 -3.21 4.15 -0.58 -0.19 -4.92 120.64 113.69 1cne n GLU 72 Ca -0.02 0.54 -0.39 0.00 -0.42 0.00 0.00 57.16 56.87 1cne n GLU 72 Cb 0.61 -2.66 -0.06 0.00 -0.57 0.00 0.00 31.44 28.75 1cne n GLU 72 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1cne s ILE 73 N 6.09 5.11 -0.11 -3.67 1.09 -1.26 -4.41 121.20 124.04 1cne s ILE 73 Ca 1.01 1.07 0.00 0.00 -1.10 0.00 0.00 60.65 61.63 1cne s ILE 73 Cb -0.71 -3.88 0.00 0.00 -1.06 0.00 0.00 42.46 36.81 1cne s ILE 73 CO 0.48 0.22 0.00 0.61 -0.10 0.00 0.00 174.94 176.16 1cne n GLY 74 N 3.55 0.49 3.37 6.18 0.00 0.54 -4.78 105.19 114.54 1cne n GLY 74 Ca -0.04 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 1cne n GLY 74 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cne s HIS 75 N -1.92 -0.38 -0.02 1.61 3.76 -1.26 0.21 115.29 117.28 1cne s HIS 75 Ca 0.00 0.49 0.01 0.00 -0.15 0.00 0.00 55.06 55.41 1cne s HIS 75 Cb 0.00 0.28 0.02 0.00 1.11 0.00 0.00 32.58 33.99 1cne s HIS 75 CO 0.00 -0.57 -0.02 -0.59 -0.85 0.00 0.00 174.74 172.71 1cne s PHE 76 N -2.03 0.35 -0.12 1.40 -0.12 -1.01 -4.74 117.98 111.72 1cne s PHE 76 Ca -0.08 -0.04 -0.07 0.00 -0.05 0.00 0.00 56.93 56.70 1cne s PHE 76 Cb -0.01 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.97 1cne s PHE 76 CO 0.01 -0.09 0.13 -0.51 -0.05 0.00 0.00 175.22 174.70 1cne s ASP 77 N 0.65 6.26 -0.11 1.98 1.01 -1.26 -3.73 116.67 121.47 1cne s ASP 77 Ca -0.07 0.43 0.01 0.00 0.71 0.00 0.00 52.55 53.63 1cne s ASP 77 Cb -0.10 -2.01 0.02 0.00 1.01 0.00 0.00 42.92 41.84 1cne s ASP 77 CO -0.01 0.40 -0.12 -0.76 0.21 0.00 0.00 175.17 174.89 1cne s LEU 78 N -0.96 1.52 -0.23 1.23 1.43 -0.92 -0.83 118.68 119.92 1cne s LEU 78 Ca 0.15 -0.38 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1cne s LEU 78 Cb -0.12 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.07 1cne s LEU 78 CO 0.04 -0.04 0.13 -0.22 0.23 0.00 0.00 176.35 176.48 1cne s LEU 79 N 1.28 3.95 0.29 1.79 0.20 -1.26 0.53 118.68 125.46 1cne s LEU 79 Ca -0.01 0.06 0.11 0.00 0.69 0.00 0.00 54.13 54.97 1cne s LEU 79 Cb -0.14 -2.05 -0.05 0.00 -0.43 0.00 0.00 46.19 43.52 1cne s LEU 79 CO -0.05 0.07 -0.11 -0.69 -0.29 0.00 0.00 176.35 175.28 1cne s VAL 80 N 1.01 2.77 -0.55 1.68 1.01 0.17 -4.92 120.40 121.56 1cne s VAL 80 Ca 0.06 -2.20 0.04 0.00 0.00 0.00 0.00 61.98 59.88 1cne s VAL 80 Cb -0.14 -2.54 0.14 0.00 0.00 0.00 0.00 36.38 33.84 1cne s VAL 80 CO 0.04 -0.36 0.31 -0.75 0.00 0.00 0.00 175.10 174.34 1cne s LYS 81 N -3.59 2.03 0.28 2.72 2.47 -1.26 0.53 119.74 122.92 1cne s LYS 81 Ca 0.31 -2.74 -0.30 0.00 -1.56 0.00 0.00 55.97 51.68 1cne s LYS 81 Cb -0.04 -3.26 -0.12 0.00 -1.46 0.00 0.00 37.83 32.94 1cne s LYS 81 CO 0.17 -1.15 1.62 0.28 0.16 0.00 0.00 175.35 176.42 1cne n VAL 82 N 2.89 0.84 -2.65 4.02 0.31 -0.60 -4.94 118.33 118.20 1cne n VAL 82 Ca 0.09 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.78 1cne n VAL 82 Cb 0.33 -1.96 0.01 0.00 -0.91 0.00 0.00 33.84 31.31 1cne n VAL 82 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1cne n TYR 83 N 2.46 2.55 -0.53 3.52 4.01 -1.26 -4.93 117.16 122.98 1cne n TYR 83 Ca 0.10 -2.67 -0.12 0.00 -0.16 0.00 0.00 57.90 55.05 1cne n TYR 83 Cb 0.36 -1.56 0.12 0.00 -0.31 0.00 0.00 39.34 37.95 1cne n TYR 83 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1cne n PHE 84 N 2.27 -2.30 -4.03 -0.72 3.01 -1.26 -2.31 117.46 112.12 1cne n PHE 84 Ca 0.35 0.07 -0.26 0.00 1.01 0.00 0.00 57.45 58.62 1cne n PHE 84 Cb 0.33 -1.33 -0.04 0.00 -0.01 0.00 0.00 39.48 38.43 1cne n PHE 84 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1cne s LYS 85 N -3.24 3.11 -1.29 -1.08 -2.85 -1.12 -2.32 119.74 110.94 1cne s LYS 85 Ca 0.27 -0.78 -0.16 0.00 -1.00 0.00 0.00 55.97 54.31 1cne s LYS 85 Cb -0.05 -2.76 0.01 0.00 -2.06 0.00 0.00 37.83 32.97 1cne s LYS 85 CO 0.23 0.49 0.54 -1.71 0.10 0.00 0.00 175.35 175.01 1cne n ASN 86 N -0.48 -2.68 -0.37 0.03 2.85 0.21 -4.86 115.26 109.96 1cne n ASN 86 Ca -0.08 -1.13 0.00 0.00 -0.11 0.00 0.00 54.58 53.27 1cne n ASN 86 Cb 0.55 -2.59 0.00 0.00 1.24 0.00 0.00 39.78 38.98 1cne n ASN 86 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1cne n GLU 87 N -4.54 0.00 -3.25 1.20 2.13 -0.78 -5.04 120.64 110.36 1cne n GLU 87 Ca -0.19 -0.21 0.04 0.00 0.66 0.00 0.00 57.16 57.45 1cne n GLU 87 Cb 0.63 -0.12 -0.02 0.00 0.27 0.00 0.00 31.44 32.19 1cne n GLU 87 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1cne s HIS 88 N 0.00 -0.96 1.13 4.31 2.46 -1.18 -5.04 115.29 116.01 1cne s HIS 88 Ca 0.00 1.19 -0.18 0.00 0.47 0.00 0.00 55.06 56.55 1cne s HIS 88 Cb 0.00 0.40 0.16 0.00 -0.13 0.00 0.00 32.58 33.01 1cne s HIS 88 CO 0.00 -0.51 0.20 -0.35 -2.47 0.00 0.00 174.74 171.61 1cne n PRO 89 N 5.35 -2.16 0.00 2.88 -0.04 -1.26 0.06 135.00 139.82 1cne n PRO 89 Ca -0.06 -0.62 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 1cne n PRO 89 Cb 0.52 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1cne n PRO 89 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1cne n LYS 90 N -2.42 0.00 0.00 0.54 5.02 -1.26 -4.31 118.16 115.74 1cne n LYS 90 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1cne n LYS 90 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 1cne n LYS 90 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1cne n PHE 91 N -1.43 0.00 -0.58 2.13 1.16 -1.14 -5.06 117.46 112.54 1cne n PHE 91 Ca 0.00 0.00 0.44 0.00 -1.87 0.00 0.00 57.45 56.02 1cne n PHE 91 Cb 0.00 0.00 0.69 0.00 -1.61 0.00 0.00 39.48 38.56 1cne n PHE 91 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1cne n PRO 92 N 0.00 -0.01 -0.18 3.97 -0.02 0.11 -3.19 135.00 135.68 1cne n PRO 92 Ca 0.00 0.98 -0.03 0.00 -2.02 0.00 0.00 63.50 62.43 1cne n PRO 92 Cb 0.00 -2.19 0.07 0.00 -0.02 0.00 0.00 33.50 31.36 1cne n PRO 92 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 1cne h ASN 93 N 0.00 0.36 0.00 2.55 7.08 -1.83 0.80 115.58 124.54 1cne h ASN 93 Ca 0.81 0.04 0.00 0.00 -3.08 0.00 0.00 56.30 54.07 1cne h ASN 93 Cb 3.14 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 39.35 1cne h ASN 93 CO -0.10 0.24 0.00 0.61 -2.08 0.00 0.00 177.43 176.10 1cne n GLY 94 N -1.26 1.38 0.00 9.14 0.00 -0.98 -2.80 105.19 110.67 1cne n GLY 94 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1cne n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cne n GLY 95 N 0.00 2.33 0.00 -0.02 0.00 -0.98 -4.87 105.19 101.65 1cne n GLY 95 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1cne n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1cne n LEU 96 N 0.00 0.00 0.12 0.99 -0.00 -1.26 -2.99 117.00 113.87 1cne n LEU 96 Ca 0.00 0.92 -0.14 0.00 -0.00 0.00 0.00 56.01 56.79 1cne n LEU 96 Cb 0.00 -0.42 -0.07 0.00 -0.00 0.00 0.00 43.42 42.93 1cne n LEU 96 CO 0.00 -0.42 0.61 -0.03 -0.00 0.00 0.00 177.39 177.55 1cne h MET 97 N 0.00 -0.60 -0.08 1.47 -1.53 -1.96 -0.22 114.93 112.01 1cne h MET 97 Ca 0.00 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1cne h MET 97 Cb 0.00 0.14 -0.00 0.00 -0.55 0.00 0.00 31.60 31.18 1cne h MET 97 CO 0.00 -0.40 0.05 1.79 0.14 0.00 0.00 176.91 178.49 1cne h THR 98 N -0.62 1.01 -0.25 -0.77 1.35 -1.95 0.31 112.91 111.99 1cne h THR 98 Ca 0.02 -0.03 0.06 0.00 -0.55 0.00 0.00 66.41 65.91 1cne h THR 98 Cb 0.64 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 67.91 1cne h THR 98 CO -0.21 0.02 -0.17 1.56 -0.25 0.00 0.00 175.52 176.46 1cne h GLN 99 N 0.10 -0.15 -0.82 4.72 4.20 -1.50 0.18 115.11 121.83 1cne h GLN 99 Ca 0.03 0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.93 1cne h GLN 99 Cb -0.01 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1cne h GLN 99 CO -0.01 -0.10 0.55 -0.92 -0.67 0.00 0.00 178.83 177.68 1cne h TYR 100 N -0.16 0.42 0.00 2.96 3.20 -0.56 1.19 116.97 124.02 1cne h TYR 100 Ca 0.14 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1cne h TYR 100 Cb 0.37 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1cne h TYR 100 CO -0.35 0.13 -0.29 1.25 -1.64 0.00 0.00 178.16 177.27 1cne h LEU 101 N 0.34 0.00 0.00 2.82 5.85 0.23 -1.42 115.31 123.13 1cne h LEU 101 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1cne h LEU 101 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1cne h LEU 101 CO -0.13 0.29 0.00 -0.67 -0.34 0.00 0.00 178.44 177.59 1cne n ASP 102 N -3.22 0.00 -0.22 1.25 2.03 0.35 -4.16 116.55 112.59 1cne n ASP 102 Ca 0.02 0.25 0.11 0.00 0.52 0.00 0.00 54.79 55.69 1cne n ASP 102 Cb 0.60 -0.23 0.20 0.00 -0.72 0.00 0.00 41.12 40.98 1cne n ASP 102 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1cne n SER 103 N -1.18 -0.04 -4.59 1.67 3.41 0.20 -4.25 113.62 108.83 1cne n SER 103 Ca 0.00 1.07 -0.62 0.00 -0.26 0.00 0.00 58.87 59.06 1cne n SER 103 Cb 0.00 -0.40 -0.10 0.00 -0.26 0.00 0.00 64.21 63.45 1cne n SER 103 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1cne n LEU 104 N -4.78 1.48 -4.92 1.04 0.00 -0.53 -4.91 117.00 104.38 1cne n LEU 104 Ca 0.16 0.96 -0.26 0.00 0.00 0.00 0.00 56.01 56.87 1cne n LEU 104 Cb 0.52 -0.99 -0.01 0.00 0.00 0.00 0.00 43.42 42.94 1cne n LEU 104 CO -0.04 -0.71 0.29 -2.84 0.00 0.00 0.00 177.39 174.10 1cne s PRO 105 N 4.19 3.53 0.59 1.96 0.02 -1.26 -4.94 135.00 139.10 1cne s PRO 105 Ca 1.08 -0.06 -0.19 0.00 0.02 0.00 0.00 61.00 61.84 1cne s PRO 105 Cb -1.33 -2.54 -0.03 0.00 0.02 0.00 0.00 34.50 30.62 1cne s PRO 105 CO 0.71 0.00 1.25 0.14 -0.33 0.00 0.00 177.00 178.77 1cne s VAL 106 N -2.47 2.40 0.00 3.83 -7.23 -1.26 -3.16 120.40 112.51 1cne s VAL 106 Ca 0.44 0.26 0.00 0.00 -1.81 0.00 0.00 61.98 60.87 1cne s VAL 106 Cb -0.10 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.73 1cne s VAL 106 CO 0.39 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1cne n GLY 107 N 0.65 3.24 3.72 2.32 0.00 0.29 -4.94 105.19 110.47 1cne n GLY 107 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1cne n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cne s SER 108 N -0.47 7.10 0.04 1.61 0.01 -1.19 -4.63 113.70 116.17 1cne s SER 108 Ca 0.00 2.06 -0.29 0.00 1.31 0.00 0.00 55.95 59.03 1cne s SER 108 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1cne s SER 108 CO 0.00 -0.43 0.92 -0.31 0.41 0.00 0.00 173.24 173.83 1cne s TYR 109 N 0.75 3.72 0.45 2.43 1.51 -1.26 0.14 117.35 125.08 1cne s TYR 109 Ca 0.57 1.66 0.06 0.00 -1.01 0.00 0.00 57.07 58.36 1cne s TYR 109 Cb -0.30 -3.03 0.08 0.00 -0.11 0.00 0.00 41.96 38.60 1cne s TYR 109 CO 0.31 0.11 0.62 1.51 -1.11 0.00 0.00 175.55 176.99 1cne n ILE 110 N 3.36 0.00 -3.82 2.71 0.13 -1.23 -4.84 119.36 115.67 1cne n ILE 110 Ca 0.03 -1.42 -0.28 0.00 -1.10 0.00 0.00 62.75 59.98 1cne n ILE 110 Cb 0.50 -0.68 -0.16 0.00 -0.84 0.00 0.00 39.64 38.46 1cne n ILE 110 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 1cne s ASP 111 N -3.73 3.12 0.00 9.51 1.01 -1.24 -3.23 116.67 122.10 1cne s ASP 111 Ca 0.46 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.85 1cne s ASP 111 Cb -0.04 -0.81 0.00 0.00 1.01 0.00 0.00 42.92 43.08 1cne s ASP 111 CO 0.29 -0.26 0.00 1.33 0.21 0.00 0.00 175.17 176.74 1cne n VAL 112 N 4.91 0.00 0.00 -1.27 0.24 -1.25 -1.19 118.33 119.77 1cne n VAL 112 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 1cne n VAL 112 Cb 0.46 -1.32 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 1cne n VAL 112 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1cne n LYS 113 N 0.00 0.00 -0.92 7.34 4.81 -1.25 -4.40 118.16 123.74 1cne n LYS 113 Ca 0.00 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.11 1cne n LYS 113 Cb 0.00 0.00 0.13 0.00 0.02 0.00 0.00 35.03 35.18 1cne n LYS 113 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cne n GLY 114 N 0.00 -0.83 2.75 3.14 0.00 -1.26 -3.83 105.19 105.16 1cne n GLY 114 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1cne n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cne s PRO 115 N -3.97 0.79 -1.02 1.61 0.05 -1.26 -2.40 135.00 128.79 1cne s PRO 115 Ca 0.66 -1.17 -0.04 0.00 0.05 0.00 0.00 61.00 60.51 1cne s PRO 115 Cb -0.26 -2.09 0.29 0.00 0.05 0.00 0.00 34.50 32.49 1cne s PRO 115 CO 0.58 -0.99 1.26 1.28 0.05 0.00 0.00 177.00 179.18 1cne n LEU 116 N 4.75 5.75 0.00 -3.56 7.99 -1.16 -4.92 117.00 125.85 1cne n LEU 116 Ca -0.01 -5.20 0.00 0.00 -0.01 0.00 0.00 56.01 50.79 1cne n LEU 116 Cb 0.42 -1.23 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 1cne n LEU 116 CO 0.13 1.65 0.00 0.61 -1.51 0.00 0.00 177.39 178.27 1cne n GLY 117 N 1.63 5.48 0.00 -0.72 0.00 -1.26 -4.66 105.19 105.66 1cne n GLY 117 Ca 0.26 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1cne n GLY 117 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cne n HIS 118 N 0.00 0.00 -2.30 1.61 1.44 -1.26 -5.01 115.22 109.70 1cne n HIS 118 Ca 0.00 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.39 1cne n HIS 118 Cb 0.00 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.09 1cne n HIS 118 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1cne s VAL 119 N -1.12 4.58 -0.30 0.61 1.01 -1.21 -3.18 120.40 120.79 1cne s VAL 119 Ca 0.00 1.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 1cne s VAL 119 Cb 0.00 -3.75 0.20 0.00 0.00 0.00 0.00 36.38 32.83 1cne s VAL 119 CO 0.00 -0.78 1.24 -0.70 0.00 0.00 0.00 175.10 174.86 1cne s GLU 120 N -4.30 0.08 -0.41 2.72 2.12 -1.24 -4.07 118.70 113.61 1cne s GLU 120 Ca 0.58 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.89 1cne s GLU 120 Cb -0.10 0.02 0.02 0.00 0.26 0.00 0.00 34.13 34.32 1cne s GLU 120 CO 0.36 -0.02 0.35 -0.47 -0.54 0.00 0.00 175.26 174.94 1cne s TYR 121 N 1.02 3.21 0.00 5.30 5.04 0.13 -1.02 117.35 131.04 1cne s TYR 121 Ca -0.07 -0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1cne s TYR 121 Cb -0.02 -2.69 0.00 0.00 0.35 0.00 0.00 41.96 39.59 1cne s TYR 121 CO -0.11 -0.61 0.00 0.25 -1.34 0.00 0.00 175.55 173.74 1cne n THR 122 N 5.26 0.00 0.00 4.34 -2.24 -1.13 -4.83 114.28 115.67 1cne n THR 122 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1cne n THR 122 Cb 0.47 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1cne n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cne n GLY 123 N 1.18 0.61 3.66 3.38 0.00 -1.26 -4.99 105.19 107.77 1cne n GLY 123 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cne n GLY 123 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cne s ARG 124 N 2.30 4.24 0.00 1.61 1.70 -1.26 -4.57 118.95 122.97 1cne s ARG 124 Ca 0.00 0.80 0.00 0.00 -0.47 0.00 0.00 55.73 56.06 1cne s ARG 124 Cb 0.00 -3.58 0.00 0.00 -0.57 0.00 0.00 34.95 30.80 1cne s ARG 124 CO 0.00 -0.30 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 1cne n GLY 125 N 3.67 1.43 3.61 3.88 0.00 -1.26 -4.97 105.19 111.54 1cne n GLY 125 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1cne n GLY 125 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cne s SER 126 N 0.00 2.20 0.06 1.61 0.15 -1.26 -3.73 113.70 112.73 1cne s SER 126 Ca 0.00 1.57 0.05 0.00 0.70 0.00 0.00 55.95 58.28 1cne s SER 126 Cb 0.00 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1cne s SER 126 CO 0.00 -3.45 -0.15 -0.36 1.20 0.00 0.00 173.24 170.48 1cne s PHE 127 N -2.69 1.32 0.14 3.44 0.40 0.22 -2.85 117.98 117.96 1cne s PHE 127 Ca 0.66 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.64 1cne s PHE 127 Cb -0.22 -0.76 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1cne s PHE 127 CO 0.60 0.06 0.15 0.54 0.70 0.00 0.00 175.22 177.28 1cne s VAL 128 N -1.03 4.66 -0.11 -0.44 0.11 -0.19 0.22 120.40 123.61 1cne s VAL 128 Ca 0.01 -0.95 -0.27 0.00 -2.93 0.00 0.00 61.98 57.84 1cne s VAL 128 Cb -0.09 -3.36 0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1cne s VAL 128 CO 0.02 -0.06 0.65 -0.51 -3.33 0.00 0.00 175.10 171.87 1cne s ILE 129 N -1.68 0.00 0.00 7.04 2.07 0.10 -3.59 121.20 125.14 1cne s ILE 129 Ca 0.31 -0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.51 1cne s ILE 129 Cb -0.11 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.54 1cne s ILE 129 CO 0.24 -0.02 0.00 0.59 -1.91 0.00 0.00 174.94 173.84 1cne n ASN 130 N 1.52 0.00 0.00 4.50 4.13 -1.19 -0.01 115.26 124.20 1cne n ASN 130 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1cne n ASN 130 Cb 0.56 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 1cne n ASN 130 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cne n GLY 131 N 0.00 1.93 0.00 7.41 0.00 -1.26 -4.98 105.19 108.30 1cne n GLY 131 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1cne n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cne n LYS 132 N 0.00 2.16 -3.62 1.61 5.02 0.98 -5.08 118.16 119.23 1cne n LYS 132 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 1cne n LYS 132 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1cne n LYS 132 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1cne s GLN 133 N 0.00 0.35 -0.04 1.97 1.03 -1.25 -0.72 119.66 120.99 1cne s GLN 133 Ca 0.00 0.24 0.01 0.00 0.04 0.00 0.00 55.36 55.65 1cne s GLN 133 Cb 0.00 0.17 0.02 0.00 0.03 0.00 0.00 33.01 33.23 1cne s GLN 133 CO 0.00 -0.08 -0.02 1.03 -2.54 0.00 0.00 175.29 173.68 1cne s ARG 134 N -0.41 0.58 -0.29 9.60 0.52 0.58 -4.81 118.95 124.72 1cne s ARG 134 Ca 0.04 -0.02 -0.25 0.00 -0.52 0.00 0.00 55.73 54.98 1cne s ARG 134 Cb -0.03 -0.66 0.00 0.00 0.52 0.00 0.00 34.95 34.78 1cne s ARG 134 CO -0.07 -0.10 0.85 1.21 0.02 0.00 0.00 175.30 177.21 1cne s ASN 135 N 0.95 6.76 -0.05 0.23 2.47 -1.26 0.72 114.94 124.76 1cne s ASN 135 Ca -0.11 0.84 0.02 0.00 0.42 0.00 0.00 52.86 54.03 1cne s ASN 135 Cb -0.14 -2.44 0.01 0.00 -1.45 0.00 0.00 41.25 37.24 1cne s ASN 135 CO -0.01 -0.63 -0.08 0.00 -3.72 0.00 0.00 177.10 172.66 1cne s ALA 136 N 3.04 0.91 0.00 1.71 0.00 -1.24 -4.92 121.76 121.26 1cne s ALA 136 Ca 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1cne s ALA 136 Cb -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1cne s ALA 136 CO 0.11 0.07 0.27 -2.13 0.00 0.00 0.00 175.76 174.08 1cne n ARG 137 N 3.78 0.00 -3.61 0.00 0.00 -1.26 -4.55 116.66 111.02 1cne n ARG 137 Ca -0.23 0.17 -0.37 0.00 -0.00 0.00 0.00 57.85 57.42 1cne n ARG 137 Cb 0.52 -0.87 -0.06 0.00 0.00 0.00 0.00 32.46 32.04 1cne n ARG 137 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1cne s ARG 138 N -0.88 3.95 0.45 -0.14 0.52 -1.26 -3.16 118.95 118.43 1cne s ARG 138 Ca 0.00 0.14 0.07 0.00 -0.52 0.00 0.00 55.73 55.42 1cne s ARG 138 Cb 0.00 -3.30 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 1cne s ARG 138 CO 0.00 0.51 0.30 -0.51 0.02 0.00 0.00 175.30 175.62 1cne s LEU 139 N -0.38 3.10 -0.14 2.53 1.43 0.30 -4.16 118.68 121.37 1cne s LEU 139 Ca 0.18 -1.01 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1cne s LEU 139 Cb -0.14 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.54 1cne s LEU 139 CO 0.07 -0.72 -0.03 0.00 0.23 0.00 0.00 176.35 175.89 1cne s ALA 140 N -2.60 1.19 -0.36 4.21 0.00 -0.80 -3.01 121.76 120.37 1cne s ALA 140 Ca 0.41 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 51.85 1cne s ALA 140 Cb -0.00 -0.99 0.47 0.00 0.00 0.00 0.00 23.12 22.60 1cne s ALA 140 CO 0.24 -0.68 1.45 -1.33 0.00 0.00 0.00 175.76 175.44 1cne n MET 141 N 4.98 2.78 -1.28 0.00 2.81 -0.44 -0.92 117.12 125.06 1cne n MET 141 Ca -0.10 -3.65 -0.11 0.00 -1.81 0.00 0.00 57.70 52.03 1cne n MET 141 Cb 0.49 -2.11 -0.07 0.00 -0.71 0.00 0.00 33.22 30.82 1cne n MET 141 CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 1cne n ILE 142 N -0.90 0.00 -0.01 2.02 -5.35 -1.26 -3.64 119.36 110.22 1cne n ILE 142 Ca 0.43 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 1cne n ILE 142 Cb 0.92 -1.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 1cne n ILE 142 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cne n GLY 144 N 2.59 0.92 7.00 0.00 0.00 0.74 -4.01 105.19 112.43 1cne n GLY 144 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1cne n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cne n GLY 145 N 0.00 1.36 2.53 -0.02 0.00 -0.77 -3.01 105.19 105.28 1cne n GLY 145 Ca 0.00 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1cne n GLY 145 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cne n SER 146 N 8.04 7.23 -0.98 1.61 3.41 -1.26 -4.26 113.62 127.41 1cne n SER 146 Ca 0.00 -3.80 0.08 0.00 -0.26 0.00 0.00 58.87 54.89 1cne n SER 146 Cb 0.00 -0.93 0.24 0.00 -0.26 0.00 0.00 64.21 63.26 1cne n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cne n GLY 147 N -0.73 2.87 0.10 5.00 0.00 -1.16 -4.53 105.19 106.74 1cne n GLY 147 Ca 0.57 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1cne n GLY 147 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cne h ILE 148 N 2.81 1.18 -0.76 -0.61 6.09 -1.84 -3.37 117.51 120.99 1cne h ILE 148 Ca 0.00 -1.19 0.18 0.00 -1.37 0.00 0.00 64.86 62.47 1cne h ILE 148 Cb 1.00 1.91 -0.13 0.00 0.47 0.00 0.00 36.82 40.06 1cne h ILE 148 CO 0.07 0.28 0.01 0.71 -3.07 0.00 0.00 178.15 176.15 1cne h THR 149 N -0.68 0.33 0.00 2.19 1.35 -1.92 0.22 112.91 114.40 1cne h THR 149 Ca -0.01 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1cne h THR 149 Cb 0.55 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1cne h THR 149 CO 0.02 0.02 0.00 -2.65 -0.25 0.00 0.00 175.52 172.66 1cne n PRO 150 N -5.35 0.12 -0.09 4.72 -0.02 -1.26 -1.47 135.00 131.65 1cne n PRO 150 Ca 0.14 0.39 -0.23 0.00 -2.02 0.00 0.00 63.50 61.78 1cne n PRO 150 Cb 0.48 -1.74 -0.12 0.00 -0.02 0.00 0.00 33.50 32.10 1cne n PRO 150 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1cne n MET 151 N -1.97 0.62 -0.34 -0.52 1.56 0.30 -4.08 117.12 112.69 1cne n MET 151 Ca 0.02 0.43 0.23 0.00 -0.27 0.00 0.00 57.70 58.11 1cne n MET 151 Cb 0.18 -1.69 0.49 0.00 2.15 0.00 0.00 33.22 34.35 1cne n MET 151 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 1cne h TYR 152 N -0.70 0.78 -0.69 1.12 5.03 -0.15 1.42 116.97 123.79 1cne h TYR 152 Ca -0.43 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.07 1cne h TYR 152 Cb 1.56 -0.22 -0.04 0.00 1.55 0.00 0.00 36.73 39.58 1cne h TYR 152 CO 0.06 0.00 0.47 0.37 -1.32 0.00 0.00 178.16 177.75 1cne h GLN 153 N 0.40 0.19 0.00 1.82 4.15 -1.40 -2.03 115.11 118.24 1cne h GLN 153 Ca 0.65 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 60.06 1cne h GLN 153 Cb 1.57 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1cne h GLN 153 CO -0.40 0.13 -0.22 0.82 -1.93 0.00 0.00 178.83 177.22 1cne h ILE 154 N 0.20 0.00 0.00 2.39 2.04 0.17 -3.39 117.51 118.92 1cne h ILE 154 Ca 0.33 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1cne h ILE 154 Cb 1.03 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1cne h ILE 154 CO -0.06 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.71 1cne n ILE 155 N -3.81 0.00 -0.29 -0.67 5.41 -0.38 -1.31 119.36 118.31 1cne n ILE 155 Ca -0.03 1.04 0.07 0.00 1.00 0.00 0.00 62.75 64.82 1cne n ILE 155 Cb 0.12 -1.42 0.17 0.00 -0.71 0.00 0.00 39.64 37.80 1cne n ILE 155 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1cne h GLN 156 N 0.00 0.05 0.15 0.38 4.15 -1.65 0.43 115.11 118.62 1cne h GLN 156 Ca 0.00 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1cne h GLN 156 Cb 0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 1cne h GLN 156 CO 0.00 0.04 -0.22 0.00 -1.93 0.00 0.00 178.83 176.71 1cne h ALA 157 N 1.81 -0.41 -1.00 3.38 0.00 -1.39 -0.11 119.26 121.54 1cne h ALA 157 Ca 0.45 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.56 1cne h ALA 157 Cb 0.81 0.35 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1cne h ALA 157 CO -0.78 -0.77 0.66 0.28 0.00 0.00 0.00 179.25 178.64 1cne h VAL 158 N -0.44 0.58 0.00 0.00 2.07 0.11 0.30 116.25 118.86 1cne h VAL 158 Ca 0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1cne h VAL 158 Cb 0.44 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1cne h VAL 158 CO -0.10 0.07 -0.62 0.18 0.02 0.00 0.00 177.57 177.11 1cne n LEU 159 N -4.54 0.60 0.01 2.57 7.99 -0.78 -3.61 117.00 119.24 1cne n LEU 159 Ca 0.23 -0.08 -0.21 0.00 -0.01 0.00 0.00 56.01 55.94 1cne n LEU 159 Cb 0.84 -0.20 -0.14 0.00 -0.11 0.00 0.00 43.42 43.81 1cne n LEU 159 CO 0.29 0.14 -0.32 -0.09 -1.51 0.00 0.00 177.39 175.90 1cne h ARG 160 N 0.00 0.24 0.00 3.23 2.43 0.14 -3.26 114.38 117.16 1cne h ARG 160 Ca 0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1cne h ARG 160 Cb 0.52 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1cne h ARG 160 CO 0.00 1.20 0.00 -3.47 -1.51 0.00 0.00 179.97 176.19 1cne n ASP 161 N -3.99 0.00 -4.85 -3.80 2.03 -0.23 -4.64 116.55 101.06 1cne n ASP 161 Ca -0.23 -0.03 -0.31 0.00 0.52 0.00 0.00 54.79 54.74 1cne n ASP 161 Cb 0.87 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1cne n ASP 161 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1cne s GLN 162 N -2.33 3.56 -1.22 -0.67 2.00 -1.23 -3.20 119.66 116.56 1cne s GLN 162 Ca 0.11 0.87 -0.09 0.00 -2.00 0.00 0.00 55.36 54.25 1cne s GLN 162 Cb 0.06 -2.08 0.20 0.00 0.80 0.00 0.00 33.01 31.99 1cne s GLN 162 CO 0.13 -0.60 1.67 -2.30 -0.50 0.00 0.00 175.29 173.69 1cne n PRO 163 N -2.44 3.70 0.00 1.67 -0.02 -1.26 -4.91 135.00 131.74 1cne n PRO 163 Ca 0.07 -3.82 0.00 0.00 -2.02 0.00 0.00 63.50 57.73 1cne n PRO 163 Cb 0.54 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1cne n PRO 163 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1cne n GLU 164 N 3.78 1.76 -0.04 -0.52 -0.58 -1.19 -4.86 120.64 119.00 1cne n GLU 164 Ca 0.36 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.97 1cne n GLU 164 Cb 0.37 -0.41 -0.07 0.00 -0.57 0.00 0.00 31.44 30.76 1cne n GLU 164 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1cne h ASP 165 N 0.00 0.22 -6.16 1.62 1.82 -1.82 -3.47 116.42 108.62 1cne h ASP 165 Ca 0.00 -0.40 -0.37 0.00 -0.39 0.00 0.00 57.03 55.87 1cne h ASP 165 Cb 0.00 -0.06 -0.14 0.00 0.68 0.00 0.00 39.33 39.81 1cne h ASP 165 CO 0.00 0.57 -0.57 0.00 -1.61 0.00 0.00 179.24 177.63 1cne n HIS 166 N -4.73 -0.74 -2.35 0.28 1.44 -1.26 -4.72 115.22 103.13 1cne n HIS 166 Ca -0.06 0.37 -0.24 0.00 -2.01 0.00 0.00 57.72 55.77 1cne n HIS 166 Cb 0.26 -1.60 0.06 0.00 0.12 0.00 0.00 29.99 28.83 1cne n HIS 166 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1cne s THR 167 N -3.67 2.51 -0.13 0.61 -4.23 -1.26 -4.91 115.64 104.57 1cne s THR 167 Ca 0.05 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1cne s THR 167 Cb -0.03 -3.04 -0.02 0.00 1.34 0.00 0.00 72.50 70.75 1cne s THR 167 CO 0.60 -0.04 -0.09 -0.70 -0.54 0.00 0.00 174.62 173.84 1cne s GLU 168 N -5.08 3.43 -0.08 3.99 2.12 -1.19 -4.12 118.70 117.77 1cne s GLU 168 Ca 0.59 -0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.31 1cne s GLU 168 Cb -0.11 -2.73 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1cne s GLU 168 CO 0.43 0.27 -0.08 -1.64 -0.54 0.00 0.00 175.26 173.70 1cne s MET 169 N 0.24 1.41 -0.66 4.30 -1.94 0.54 0.11 119.30 123.30 1cne s MET 169 Ca -0.06 -0.26 0.02 0.00 -1.71 0.00 0.00 55.69 53.68 1cne s MET 169 Cb -0.15 -1.36 0.16 0.00 2.01 0.00 0.00 34.83 35.49 1cne s MET 169 CO 0.04 -0.14 0.45 -1.01 -0.01 0.00 0.00 175.02 174.35 1cne s HIS 170 N 1.25 3.45 0.74 -0.03 3.76 -1.16 0.34 115.29 123.64 1cne s HIS 170 Ca -0.04 -3.09 -0.11 0.00 -0.15 0.00 0.00 55.06 51.67 1cne s HIS 170 Cb -0.14 -2.95 0.04 0.00 1.11 0.00 0.00 32.58 30.64 1cne s HIS 170 CO -0.03 -0.71 1.09 -1.17 -0.85 0.00 0.00 174.74 173.07 1cne s LEU 171 N -0.72 2.81 -0.46 0.89 2.96 0.70 -1.32 118.68 123.54 1cne s LEU 171 Ca 0.21 1.30 0.05 0.00 -0.22 0.00 0.00 54.13 55.47 1cne s LEU 171 Cb -0.16 -4.04 0.18 0.00 0.50 0.00 0.00 46.19 42.67 1cne s LEU 171 CO -0.07 -1.63 0.52 0.52 -1.32 0.00 0.00 176.35 174.37 1cne n VAL 172 N -3.21 -0.68 -1.62 1.68 0.31 -1.24 -3.77 118.33 109.81 1cne n VAL 172 Ca 0.07 -2.37 -0.26 0.00 -0.01 0.00 0.00 64.34 61.76 1cne n VAL 172 Cb 0.56 -0.48 -0.05 0.00 -0.91 0.00 0.00 33.84 32.96 1cne n VAL 172 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1cne s TYR 173 N 0.39 1.17 -0.02 3.52 5.04 0.16 -3.00 117.35 124.61 1cne s TYR 173 Ca 0.32 1.66 -0.28 0.00 -2.44 0.00 0.00 57.07 56.33 1cne s TYR 173 Cb 0.03 -3.57 -0.03 0.00 0.35 0.00 0.00 41.96 38.74 1cne s TYR 173 CO -0.14 -2.07 0.89 0.00 -1.34 0.00 0.00 175.55 172.90 1cne s ALA 174 N 13.04 3.22 0.24 3.97 0.00 -1.26 -2.62 121.76 138.36 1cne s ALA 174 Ca 0.92 0.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.14 1cne s ALA 174 Cb -0.14 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.76 1cne s ALA 174 CO 0.17 -0.20 0.52 1.21 0.00 0.00 0.00 175.76 177.45 1cne s ASN 175 N 0.95 -0.16 -0.10 0.00 3.84 -1.22 -1.85 114.94 116.41 1cne s ASN 175 Ca 0.47 -0.76 -0.06 0.00 0.21 0.00 0.00 52.86 52.72 1cne s ASN 175 Cb -0.20 0.60 -0.27 0.00 -0.55 0.00 0.00 41.25 40.83 1cne s ASN 175 CO 0.25 -1.14 0.46 -0.09 -2.79 0.00 0.00 177.10 173.78 1cne h ARG 176 N 2.21 0.27 -4.57 0.43 2.43 -1.82 -3.40 114.38 109.94 1cne h ARG 176 Ca -0.26 -0.47 -0.22 0.00 -0.81 0.00 0.00 59.98 58.22 1cne h ARG 176 Cb 1.25 0.17 -0.15 0.00 -0.42 0.00 0.00 29.97 30.83 1cne h ARG 176 CO 0.34 1.19 -0.66 0.99 -1.51 0.00 0.00 179.97 180.32 1cne s THR 177 N -2.57 0.39 0.23 0.20 2.01 -1.26 -2.55 115.64 112.09 1cne s THR 177 Ca -0.20 -1.93 -0.07 0.00 0.31 0.00 0.00 61.69 59.80 1cne s THR 177 Cb 0.06 -1.98 0.18 0.00 0.01 0.00 0.00 72.50 70.77 1cne s THR 177 CO 0.79 -0.57 1.73 -0.08 -0.69 0.00 0.00 174.62 175.81 1cne h GLU 178 N 2.84 0.39 0.00 4.92 4.81 -1.89 -0.95 114.58 124.70 1cne h GLU 178 Ca -0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1cne h GLU 178 Cb 1.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1cne h GLU 178 CO 0.62 0.26 0.00 -0.25 -0.73 0.00 0.00 179.01 178.90 1cne n ASP 179 N -5.02 0.79 -2.19 1.04 8.00 -1.26 -3.50 116.55 114.41 1cne n ASP 179 Ca 0.11 0.62 -0.26 0.00 0.71 0.00 0.00 54.79 55.98 1cne n ASP 179 Cb 0.34 -0.82 0.04 0.00 -0.02 0.00 0.00 41.12 40.67 1cne n ASP 179 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1cne n ASP 180 N -2.29 7.00 -3.81 -2.24 8.00 -0.36 -4.65 116.55 118.20 1cne n ASP 180 Ca 0.04 -3.40 -0.38 0.00 0.71 0.00 0.00 54.79 51.76 1cne n ASP 180 Cb 0.34 -1.05 -0.02 0.00 -0.02 0.00 0.00 41.12 40.38 1cne n ASP 180 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1cne n ILE 181 N -0.12 4.51 0.00 0.53 5.41 -1.23 -4.61 119.36 123.86 1cne n ILE 181 Ca 0.46 -5.74 0.00 0.00 1.00 0.00 0.00 62.75 58.47 1cne n ILE 181 Cb 0.58 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.46 1cne n ILE 181 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1cne n LEU 182 N 1.10 0.00 -3.76 1.39 4.77 -1.26 -2.23 117.00 117.01 1cne n LEU 182 Ca 0.28 0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 1cne n LEU 182 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1cne n LEU 182 CO 0.63 0.00 2.20 0.18 -1.33 0.00 0.00 177.39 179.07 1cne n LEU 183 N -0.22 6.97 0.00 2.23 4.77 -1.26 -4.80 117.00 124.69 1cne n LEU 183 Ca 0.00 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.40 1cne n LEU 183 Cb 0.00 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.59 1cne n LEU 183 CO 0.00 1.46 0.31 -1.14 -1.33 0.00 0.00 177.39 176.69 1cne n ARG 184 N 3.93 0.00 -0.21 3.23 0.00 -0.94 -3.84 116.66 118.83 1cne n ARG 184 Ca 0.46 0.31 -0.03 0.00 -0.00 0.00 0.00 57.85 58.60 1cne n ARG 184 Cb 0.35 -1.19 0.08 0.00 0.00 0.00 0.00 32.46 31.69 1cne n ARG 184 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 1cne h ASP 185 N 0.00 0.49 0.00 6.15 5.19 -1.88 0.61 116.42 126.98 1cne h ASP 185 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1cne h ASP 185 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1cne h ASP 185 CO 0.00 0.33 0.12 -0.62 -3.12 0.00 0.00 179.24 175.95 1cne n GLU 186 N -4.81 0.00 -0.00 3.56 4.71 -1.26 0.81 120.64 123.64 1cne n GLU 186 Ca 0.07 0.32 -0.02 0.00 -0.01 0.00 0.00 57.16 57.52 1cne n GLU 186 Cb 0.15 -1.62 -0.01 0.00 -1.01 0.00 0.00 31.44 28.96 1cne n GLU 186 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1cne n LEU 187 N -1.31 0.74 0.00 -4.62 4.77 -0.52 -4.43 117.00 111.63 1cne n LEU 187 Ca 0.00 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1cne n LEU 187 Cb 0.12 -0.34 0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1cne n LEU 187 CO 0.00 -0.54 0.06 0.47 -1.33 0.00 0.00 177.39 176.05 1cne n ASP 188 N -3.20 0.00 -0.00 -1.43 9.92 0.20 -0.40 116.55 121.64 1cne n ASP 188 Ca -0.03 -0.08 -0.01 0.00 -0.53 0.00 0.00 54.79 54.15 1cne n ASP 188 Cb 0.10 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.58 1cne n ASP 188 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1cne n ARG 189 N -0.57 0.04 0.00 -1.24 0.63 0.24 -4.85 116.66 110.90 1cne n ARG 189 Ca 0.00 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1cne n ARG 189 Cb 0.00 -0.33 0.00 0.00 0.45 0.00 0.00 32.46 32.58 1cne n ARG 189 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 1cne n TRP 190 N -2.75 0.00 -0.14 -0.14 7.02 0.46 -2.57 117.44 119.32 1cne n TRP 190 Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1cne n TRP 190 Cb 0.04 -0.06 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 1cne n TRP 190 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1cne n ALA 191 N -1.15 2.31 0.09 6.99 0.00 -0.29 -1.47 120.51 126.99 1cne n ALA 191 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1cne n ALA 191 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1cne n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cne n ALA 192 N 1.79 3.00 0.41 0.00 0.00 -1.06 -4.63 120.51 120.01 1cne n ALA 192 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1cne n ALA 192 Cb 0.17 0.15 0.48 0.00 0.00 0.00 0.00 19.45 20.25 1cne n ALA 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cne n GLU 193 N -3.47 0.19 -3.72 0.00 1.02 -0.54 -3.89 120.64 110.23 1cne n GLU 193 Ca 0.00 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.25 1cne n GLU 193 Cb 0.01 -1.85 -0.14 0.00 -0.02 0.00 0.00 31.44 29.44 1cne n GLU 193 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1cne s TYR 194 N -3.30 1.75 0.00 -0.32 2.02 -0.63 -5.07 117.35 111.80 1cne s TYR 194 Ca 0.04 -1.92 0.00 0.00 -0.37 0.00 0.00 57.07 54.82 1cne s TYR 194 Cb 0.09 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.92 1cne s TYR 194 CO 0.39 -0.85 0.00 -0.35 -1.57 0.00 0.00 175.55 173.17 1cne n PRO 195 N 4.46 0.00 -0.24 -1.71 -0.04 -1.25 -3.44 135.00 132.78 1cne n PRO 195 Ca 0.02 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.67 1cne n PRO 195 Cb 0.40 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.15 1cne n PRO 195 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1cne n ASP 196 N 0.00 0.00 0.16 3.54 5.68 -1.26 -0.27 116.55 124.41 1cne n ASP 196 Ca 0.00 0.36 -0.07 0.00 -0.50 0.00 0.00 54.79 54.58 1cne n ASP 196 Cb 0.00 -0.17 -0.03 0.00 -1.14 0.00 0.00 41.12 39.77 1cne n ASP 196 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1cne h ARG 197 N 0.00 -0.43 -6.07 0.11 2.47 -1.75 -3.39 114.38 105.31 1cne h ARG 197 Ca 0.33 0.03 -0.57 0.00 -1.26 0.00 0.00 59.98 58.51 1cne h ARG 197 Cb 1.39 0.10 -0.25 0.00 -1.65 0.00 0.00 29.97 29.56 1cne h ARG 197 CO -0.00 -0.29 -0.84 -1.17 0.56 0.00 0.00 179.97 178.23 1cne s LEU 198 N -7.18 2.19 -0.26 3.04 2.96 0.63 -0.34 118.68 119.72 1cne s LEU 198 Ca -0.07 -0.55 0.02 0.00 -0.22 0.00 0.00 54.13 53.31 1cne s LEU 198 Cb 0.01 -0.94 0.07 0.00 0.50 0.00 0.00 46.19 45.82 1cne s LEU 198 CO 0.20 0.14 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.78 1cne s LYS 199 N -1.30 1.68 0.52 1.98 1.02 1.06 -4.60 119.74 120.09 1cne s LYS 199 Ca 0.07 -1.20 -0.06 0.00 0.02 0.00 0.00 55.97 54.79 1cne s LYS 199 Cb -0.09 -2.70 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1cne s LYS 199 CO 0.02 -0.67 0.84 0.14 -0.92 0.00 0.00 175.35 174.76 1cne s VAL 200 N 1.27 4.72 -0.28 3.17 -7.23 -1.26 -0.21 120.40 120.57 1cne s VAL 200 Ca -0.03 0.28 -0.18 0.00 -1.81 0.00 0.00 61.98 60.24 1cne s VAL 200 Cb -0.19 -3.81 0.12 0.00 0.56 0.00 0.00 36.38 33.05 1cne s VAL 200 CO -0.08 -0.85 0.88 0.86 -0.31 0.00 0.00 175.10 175.61 1cne s TRP 201 N -2.84 -0.72 -0.11 2.82 -0.11 -1.25 -4.87 118.94 111.86 1cne s TRP 201 Ca 0.49 1.49 0.01 0.00 1.22 0.00 0.00 56.10 59.32 1cne s TRP 201 Cb -0.10 0.43 0.02 0.00 -1.50 0.00 0.00 33.47 32.32 1cne s TRP 201 CO 0.46 -0.36 -0.14 0.71 -4.62 0.00 0.00 176.95 173.01 1cne s TYR 202 N 1.25 1.88 -0.06 5.86 1.51 -1.26 0.38 117.35 126.91 1cne s TYR 202 Ca -0.07 -0.89 0.04 0.00 -1.01 0.00 0.00 57.07 55.13 1cne s TYR 202 Cb -0.04 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.40 1cne s TYR 202 CO -0.15 -0.48 -0.16 0.08 -1.11 0.00 0.00 175.55 173.73 1cne s VAL 203 N 1.09 2.89 -0.20 0.71 1.01 -1.08 -0.90 120.40 123.92 1cne s VAL 203 Ca -0.05 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1cne s VAL 203 Cb -0.14 -2.12 0.08 0.00 0.00 0.00 0.00 36.38 34.20 1cne s VAL 203 CO -0.03 0.58 0.45 0.27 0.00 0.00 0.00 175.10 176.38 1cne s ILE 204 N -0.56 -0.47 0.08 2.22 -4.36 -0.16 -3.41 121.20 114.54 1cne s ILE 204 Ca 0.08 0.12 -0.24 0.00 -0.26 0.00 0.00 60.65 60.35 1cne s ILE 204 Cb -0.11 -0.70 -0.09 0.00 1.25 0.00 0.00 42.46 42.80 1cne s ILE 204 CO 0.01 0.05 1.38 0.44 0.24 0.00 0.00 174.94 177.06 1cne h ASP 205 N 7.80 -1.17 -2.96 4.36 5.19 -1.11 -0.60 116.42 127.93 1cne h ASP 205 Ca -0.22 0.13 -0.63 0.00 -0.62 0.00 0.00 57.03 55.69 1cne h ASP 205 Cb 1.14 0.45 -0.08 0.00 0.18 0.00 0.00 39.33 41.01 1cne h ASP 205 CO 0.17 -0.35 -0.41 -1.58 -3.12 0.00 0.00 179.24 173.94 1cne s GLN 206 N -4.88 3.84 -0.56 3.56 0.74 -1.20 -4.37 119.66 116.78 1cne s GLN 206 Ca -0.11 -0.03 0.03 0.00 0.05 0.00 0.00 55.36 55.30 1cne s GLN 206 Cb 0.05 -3.29 0.14 0.00 1.10 0.00 0.00 33.01 31.00 1cne s GLN 206 CO 0.42 0.55 0.32 0.08 -0.55 0.00 0.00 175.29 176.11 1cne s VAL 207 N -0.43 2.84 0.17 1.34 1.01 -1.26 -2.97 120.40 121.10 1cne s VAL 207 Ca 0.15 -3.36 -0.21 0.00 0.00 0.00 0.00 61.98 58.56 1cne s VAL 207 Cb -0.13 -2.93 0.08 0.00 0.00 0.00 0.00 36.38 33.40 1cne s VAL 207 CO 0.04 -0.84 1.61 0.11 0.00 0.00 0.00 175.10 176.02 1cne h LYS 208 N 6.48 -0.20 -3.38 2.72 1.57 -1.97 -3.34 116.57 118.45 1cne h LYS 208 Ca -0.05 0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 58.11 1cne h LYS 208 Cb 0.89 0.04 -0.41 0.00 0.08 0.00 0.00 32.23 32.83 1cne h LYS 208 CO 0.70 -0.13 -0.61 1.03 -0.57 0.00 0.00 179.45 179.87 1cne s ARG 209 N -6.06 2.03 0.44 3.15 0.52 -1.26 -4.88 118.95 112.89 1cne s ARG 209 Ca -0.15 -2.65 0.15 0.00 -0.52 0.00 0.00 55.73 52.57 1cne s ARG 209 Cb 0.14 -3.35 1.06 0.00 0.52 0.00 0.00 34.95 33.33 1cne s ARG 209 CO 0.69 -1.12 1.95 -1.35 0.02 0.00 0.00 175.30 175.49 1cne h PRO 210 N 6.49 0.38 0.00 3.54 0.11 -2.00 0.53 132.00 141.04 1cne h PRO 210 Ca -0.07 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1cne h PRO 210 Cb 0.89 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1cne h PRO 210 CO 0.69 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 1cne n GLU 211 N -4.47 0.10 0.12 1.05 -0.00 -1.26 -0.46 120.64 115.73 1cne n GLU 211 Ca 0.12 0.22 -0.24 0.00 -0.00 0.00 0.00 57.16 57.25 1cne n GLU 211 Cb 0.46 -1.50 -0.16 0.00 -0.00 0.00 0.00 31.44 30.24 1cne n GLU 211 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1cne h GLU 212 N 0.00 0.50 0.00 3.44 4.57 -1.29 -3.49 114.58 118.30 1cne h GLU 212 Ca 0.00 -0.85 0.00 0.00 -1.18 0.00 0.00 59.36 57.33 1cne h GLU 212 Cb 0.17 0.32 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1cne h GLU 212 CO 0.00 1.41 0.00 0.41 -1.18 0.00 0.00 179.01 179.65 1cne n GLY 213 N 1.76 0.48 3.75 1.92 0.00 0.39 -5.10 105.19 108.39 1cne n GLY 213 Ca -0.19 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 1cne n GLY 213 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1cne s TRP 214 N 0.00 3.69 0.00 1.61 -0.11 -1.25 -4.93 118.94 117.94 1cne s TRP 214 Ca 0.00 1.33 0.00 0.00 1.22 0.00 0.00 56.10 58.65 1cne s TRP 214 Cb 0.00 -2.73 0.00 0.00 -1.50 0.00 0.00 33.47 29.24 1cne s TRP 214 CO 0.00 0.27 0.16 0.36 -4.62 0.00 0.00 176.95 173.13 1cne n LYS 215 N 2.93 2.22 -1.56 5.86 2.85 -1.26 -5.06 118.16 124.14 1cne n LYS 215 Ca -0.04 -0.16 -0.09 0.00 -1.05 0.00 0.00 58.31 56.96 1cne n LYS 215 Cb 0.51 -0.58 0.04 0.00 -0.65 0.00 0.00 35.03 34.35 1cne n LYS 215 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1cne n TYR 216 N -0.36 -3.05 -2.03 5.58 4.01 -1.26 -5.05 117.16 114.99 1cne n TYR 216 Ca 0.00 -0.79 -0.37 0.00 -0.16 0.00 0.00 57.90 56.58 1cne n TYR 216 Cb 0.04 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 38.80 1cne n TYR 216 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1cne s SER 217 N -2.67 5.59 -0.40 7.72 0.01 -0.08 -4.93 113.70 118.94 1cne s SER 217 Ca 0.27 2.48 0.03 0.00 1.31 0.00 0.00 55.95 60.04 1cne s SER 217 Cb -0.02 -2.61 0.11 0.00 0.21 0.00 0.00 66.02 63.71 1cne s SER 217 CO 0.18 -1.33 0.15 -0.69 0.41 0.00 0.00 173.24 171.96 1cne s VAL 218 N -1.48 1.94 -0.13 3.43 1.01 -1.26 -0.99 120.40 122.91 1cne s VAL 218 Ca 0.70 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 60.23 1cne s VAL 218 Cb -0.33 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1cne s VAL 218 CO 0.38 -0.72 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1cne n GLY 219 N 3.95 0.45 3.53 4.51 0.00 -0.23 -4.80 105.19 112.59 1cne n GLY 219 Ca 0.04 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.54 1cne n GLY 219 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1cne s PHE 220 N -4.00 1.93 0.09 1.61 -0.71 -1.26 -1.96 117.98 113.68 1cne s PHE 220 Ca 0.00 -1.06 -0.31 0.00 -1.04 0.00 0.00 56.93 54.53 1cne s PHE 220 Cb 0.00 -1.32 -0.10 0.00 -1.21 0.00 0.00 43.02 40.39 1cne s PHE 220 CO 0.00 -0.04 1.90 1.33 -1.34 0.00 0.00 175.22 177.07 1cne n VAL 221 N -0.87 0.54 -4.03 -2.49 0.24 -1.26 -4.97 118.33 105.50 1cne n VAL 221 Ca -0.06 -0.10 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 1cne n VAL 221 Cb 0.66 -2.22 -0.11 0.00 -1.47 0.00 0.00 33.84 30.70 1cne n VAL 221 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1cne s THR 222 N 3.47 0.18 0.31 3.34 -4.23 -1.26 -4.78 115.64 112.67 1cne s THR 222 Ca 0.85 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.14 1cne s THR 222 Cb -0.45 -0.74 0.38 0.00 1.34 0.00 0.00 72.50 73.03 1cne s THR 222 CO 0.39 -0.67 1.59 -0.08 -0.54 0.00 0.00 174.62 175.31 1cne h GLU 223 N 4.10 0.05 -0.66 3.99 4.81 -1.94 0.80 114.58 125.72 1cne h GLU 223 Ca -0.33 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1cne h GLU 223 Cb 1.18 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1cne h GLU 223 CO 0.50 0.03 0.44 0.00 -0.73 0.00 0.00 179.01 179.25 1cne h ALA 224 N 1.93 1.63 -0.01 2.92 0.00 -1.97 0.69 119.26 124.45 1cne h ALA 224 Ca 0.61 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.33 1cne h ALA 224 Cb 1.29 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1cne h ALA 224 CO -0.84 0.30 -0.59 0.28 0.00 0.00 0.00 179.25 178.40 1cne h VAL 225 N 0.79 1.42 0.00 0.00 2.07 0.15 -3.07 116.25 117.61 1cne h VAL 225 Ca 0.27 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1cne h VAL 225 Cb 0.07 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1cne h VAL 225 CO -0.07 0.60 0.00 0.18 0.02 0.00 0.00 177.57 178.29 1cne n LEU 226 N -4.22 0.00 -0.06 2.57 4.32 0.76 -3.38 117.00 116.99 1cne n LEU 226 Ca -0.10 0.00 -0.05 0.00 -0.02 0.00 0.00 56.01 55.84 1cne n LEU 226 Cb 0.66 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 1cne n LEU 226 CO 0.47 0.00 -0.37 0.54 -1.22 0.00 0.00 177.39 176.80 1cne n ARG 227 N -0.92 0.39 -3.52 3.23 5.12 0.22 -4.38 116.66 116.80 1cne n ARG 227 Ca 0.11 0.38 -0.40 0.00 -1.93 0.00 0.00 57.85 56.02 1cne n ARG 227 Cb 0.05 -1.45 -0.10 0.00 -1.16 0.00 0.00 32.46 29.80 1cne n ARG 227 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1cne s GLU 228 N -2.20 3.60 0.00 5.56 2.02 -1.21 -3.85 118.70 122.62 1cne s GLU 228 Ca -0.16 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.29 1cne s GLU 228 Cb 0.02 -3.78 0.00 0.00 0.10 0.00 0.00 34.13 30.47 1cne s GLU 228 CO 0.24 -0.40 0.00 0.72 0.02 0.00 0.00 175.26 175.83 1cne n HIS 229 N 5.14 0.00 -3.83 1.61 8.25 -1.26 -4.65 115.22 120.49 1cne n HIS 229 Ca -0.12 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.21 1cne n HIS 229 Cb 0.50 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.47 1cne n HIS 229 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1cne s VAL 230 N -1.16 -0.02 0.97 1.59 1.01 -1.25 -4.58 120.40 116.96 1cne s VAL 230 Ca 0.00 0.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1cne s VAL 230 Cb 0.00 -0.08 0.20 0.00 0.00 0.00 0.00 36.38 36.51 1cne s VAL 230 CO 0.00 0.03 1.32 -2.16 0.00 0.00 0.00 175.10 174.29 1cne s PRO 231 N 0.39 0.58 0.38 2.72 0.04 -1.26 -4.81 135.00 133.03 1cne s PRO 231 Ca -0.03 -0.41 -0.24 0.00 0.04 0.00 0.00 61.00 60.36 1cne s PRO 231 Cb -0.04 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1cne s PRO 231 CO -0.01 -2.46 1.01 -2.00 0.04 0.00 0.00 177.00 173.58 1cne s GLU 232 N -5.88 4.30 -0.00 4.56 2.12 -1.26 -5.02 118.70 117.51 1cne s GLU 232 Ca 0.74 1.41 -0.00 0.00 0.36 0.00 0.00 54.97 57.48 1cne s GLU 232 Cb -0.04 -2.58 -0.00 0.00 0.26 0.00 0.00 34.13 31.77 1cne s GLU 232 CO 0.53 -0.00 -0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1cne n GLY 233 N 0.29 -0.52 7.00 -1.50 0.00 -1.14 -4.64 105.19 104.67 1cne n GLY 233 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1cne n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cne n GLY 234 N 1.69 1.04 2.73 -0.02 0.00 -0.24 -3.26 105.19 107.15 1cne n GLY 234 Ca -0.00 0.63 -0.23 0.00 0.00 0.00 0.00 46.02 46.42 1cne n GLY 234 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cne s ASP 235 N -4.00 1.69 0.00 1.61 1.01 -1.26 -4.65 116.67 111.07 1cne s ASP 235 Ca 0.00 -0.17 0.00 0.00 0.71 0.00 0.00 52.55 53.09 1cne s ASP 235 Cb 0.00 -0.38 0.00 0.00 1.01 0.00 0.00 42.92 43.55 1cne s ASP 235 CO 0.00 -0.23 0.00 0.47 0.21 0.00 0.00 175.17 175.62 1cne n ASP 236 N 5.18 0.00 -4.19 0.27 9.92 -1.24 -5.14 116.55 121.35 1cne n ASP 236 Ca -0.06 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.87 1cne n ASP 236 Cb 0.50 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.81 1cne n ASP 236 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1cne s THR 237 N -1.95 2.09 0.22 -3.53 2.01 -1.20 -4.30 115.64 108.98 1cne s THR 237 Ca 0.00 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1cne s THR 237 Cb 0.00 -1.82 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 1cne s THR 237 CO 0.00 0.55 0.44 -0.22 -0.69 0.00 0.00 174.62 174.70 1cne s LEU 238 N 0.67 4.18 -0.11 4.42 2.96 -1.26 -4.83 118.68 124.71 1cne s LEU 238 Ca -0.10 0.54 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1cne s LEU 238 Cb -0.16 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.23 1cne s LEU 238 CO 0.01 -0.07 -0.16 0.00 -1.32 0.00 0.00 176.35 174.81 1cne s ALA 239 N -1.90 1.73 -0.65 5.97 0.00 -1.25 -1.91 121.76 123.75 1cne s ALA 239 Ca 0.41 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1cne s ALA 239 Cb -0.11 -0.84 0.38 0.00 0.00 0.00 0.00 23.12 22.55 1cne s ALA 239 CO 0.28 -0.07 1.56 1.28 0.00 0.00 0.00 175.76 178.81 1cne n LEU 240 N 4.19 6.11 -4.33 0.00 4.32 -0.10 -2.05 117.00 125.14 1cne n LEU 240 Ca -0.19 -5.05 -0.33 0.00 -0.02 0.00 0.00 56.01 50.42 1cne n LEU 240 Cb 0.51 -0.77 0.13 0.00 -1.62 0.00 0.00 43.42 41.68 1cne n LEU 240 CO 0.24 2.01 -0.40 0.00 -1.22 0.00 0.00 177.39 178.02 1cne n ALA 241 N -0.50 -3.44 -3.15 -1.18 0.00 -0.14 -4.76 120.51 107.34 1cne n ALA 241 Ca 0.46 -0.87 0.05 0.00 0.00 0.00 0.00 53.44 53.08 1cne n ALA 241 Cb 0.44 -1.62 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1cne n ALA 241 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cne s SER 242 N -1.85 -0.95 0.00 0.00 0.15 -1.20 -3.29 113.70 106.56 1cne s SER 242 Ca 0.55 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1cne s SER 242 Cb -0.17 1.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.82 1cne s SER 242 CO 0.68 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.56 1cne n GLY 243 N 5.35 0.72 3.59 9.45 0.00 -1.26 -0.19 105.19 122.86 1cne n GLY 243 Ca 0.02 -0.89 -0.61 0.00 0.00 0.00 0.00 46.02 44.55 1cne n GLY 243 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1cne n PRO 244 N -0.24 0.21 -0.32 1.61 -0.04 -1.26 -4.80 135.00 130.16 1cne n PRO 244 Ca 0.00 0.07 0.18 0.00 -0.04 0.00 0.00 63.50 63.71 1cne n PRO 244 Cb 0.00 -1.60 0.34 0.00 -0.04 0.00 0.00 33.50 32.20 1cne n PRO 244 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1cne n PRO 245 N 2.57 -0.07 0.01 0.54 -0.02 -1.26 0.47 135.00 137.24 1cne n PRO 245 Ca 0.23 1.36 0.00 0.00 -2.02 0.00 0.00 63.50 63.08 1cne n PRO 245 Cb 0.06 -2.23 0.30 0.00 -0.02 0.00 0.00 33.50 31.61 1cne n PRO 245 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1cne h PRO 246 N 0.00 0.49 -1.52 0.52 0.13 -2.00 0.12 132.00 129.74 1cne h PRO 246 Ca 0.62 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.64 1cne h PRO 246 Cb 1.39 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1cne h PRO 246 CO -0.83 0.54 0.00 -0.12 -0.23 0.00 0.00 178.00 177.35 1cne n MET 247 N -4.27 0.79 0.00 0.86 1.56 0.17 -1.92 117.12 114.31 1cne n MET 247 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 1cne n MET 247 Cb 0.25 -1.11 0.00 0.00 2.15 0.00 0.00 33.22 34.52 1cne n MET 247 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1cne n ILE 248 N 1.00 0.00 -0.11 1.12 5.41 0.19 -4.69 119.36 122.28 1cne n ILE 248 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1cne n ILE 248 Cb 0.39 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 1cne n ILE 248 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1cne h GLN 249 N 0.00 0.45 0.00 0.38 4.15 -0.24 -1.30 115.11 118.54 1cne h GLN 249 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1cne h GLN 249 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.59 1cne h GLN 249 CO 0.00 0.29 -1.25 1.19 -1.93 0.00 0.00 178.83 177.14 1cne n PHE 250 N -4.86 0.00 -2.99 3.99 3.72 -0.95 -4.18 117.46 112.19 1cne n PHE 250 Ca 0.00 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.25 1cne n PHE 250 Cb 0.05 -0.18 0.01 0.00 -0.94 0.00 0.00 39.48 38.41 1cne n PHE 250 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cne n ALA 251 N -1.72 0.75 0.00 4.37 0.00 -1.25 -4.59 120.51 118.07 1cne n ALA 251 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.91 1cne n ALA 251 Cb 0.34 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1cne n ALA 251 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1cne n ILE 252 N 0.77 0.00 -0.00 0.00 3.06 -1.24 -4.66 119.36 117.29 1cne n ILE 252 Ca 0.16 0.00 -0.21 0.00 -2.50 0.00 0.00 62.75 60.20 1cne n ILE 252 Cb 0.64 0.00 -0.14 0.00 0.54 0.00 0.00 39.64 40.68 1cne n ILE 252 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1cne n SER 253 N 0.00 2.07 0.18 9.51 7.64 -0.49 -3.76 113.62 128.77 1cne n SER 253 Ca 0.00 0.20 -0.11 0.00 1.01 0.00 0.00 58.87 59.98 1cne n SER 253 Cb 0.00 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.32 1cne n SER 253 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1cne h PRO 254 N 0.07 -0.49 -0.17 1.43 0.13 -1.79 -0.95 132.00 130.22 1cne h PRO 254 Ca -0.43 0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.67 1cne h PRO 254 Cb 2.03 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 33.26 1cne h PRO 254 CO 0.08 -0.21 -0.19 -0.91 -0.23 0.00 0.00 178.00 176.54 1cne h ASN 255 N -1.03 0.29 1.57 1.44 -0.26 -1.83 0.10 115.58 115.87 1cne h ASN 255 Ca -0.05 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.55 1cne h ASN 255 Cb 0.51 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1cne h ASN 255 CO 0.09 0.50 -0.44 -0.07 -1.06 0.00 0.00 177.43 176.45 1cne h LEU 256 N 0.27 0.00 -0.50 1.61 3.38 -1.68 0.14 115.31 118.53 1cne h LEU 256 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 1cne h LEU 256 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1cne h LEU 256 CO 0.03 0.31 -0.69 -0.08 0.09 0.00 0.00 178.44 178.10 1cne h GLU 257 N 0.00 0.30 0.00 1.13 4.81 -0.33 -3.15 114.58 117.35 1cne h GLU 257 Ca -0.02 -0.24 -0.24 0.00 -0.13 0.00 0.00 59.36 58.74 1cne h GLU 257 Cb 1.25 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.63 1cne h GLU 257 CO 0.04 0.88 -1.26 1.57 -0.73 0.00 0.00 179.01 179.50 1cne h LYS 258 N 0.21 0.00 -1.89 1.92 2.10 -0.64 -3.39 116.57 114.88 1cne h LYS 258 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1cne h LYS 258 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1cne h LYS 258 CO 0.11 0.79 0.00 -1.33 -2.00 0.00 0.00 179.45 177.02 1cne n MET 259 N -3.23 0.42 -3.28 0.07 2.81 0.46 -4.75 117.12 109.62 1cne n MET 259 Ca -0.06 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.68 1cne n MET 259 Cb 0.98 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 1cne n MET 259 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1cne n LYS 260 N 1.53 -0.85 -4.26 0.03 4.76 -1.26 -4.41 118.16 113.70 1cne n LYS 260 Ca 0.00 0.38 -0.14 0.00 -2.87 0.00 0.00 58.31 55.67 1cne n LYS 260 Cb 0.21 -1.22 -0.10 0.00 -1.84 0.00 0.00 35.03 32.08 1cne n LYS 260 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1cne s TYR 261 N -2.66 1.33 -0.24 2.13 6.14 -1.25 -1.07 117.35 121.73 1cne s TYR 261 Ca 0.02 -1.24 -0.06 0.00 0.64 0.00 0.00 57.07 56.42 1cne s TYR 261 Cb -0.01 -0.73 -0.03 0.00 0.42 0.00 0.00 41.96 41.61 1cne s TYR 261 CO 0.51 -0.45 0.04 0.34 0.64 0.00 0.00 175.55 176.63 1cne s ASP 262 N -3.23 4.98 -0.17 4.32 2.15 -1.26 -4.84 116.67 118.62 1cne s ASP 262 Ca 0.36 -0.23 -0.14 0.00 0.43 0.00 0.00 52.55 52.97 1cne s ASP 262 Cb 0.07 -1.88 -0.09 0.00 -0.30 0.00 0.00 42.92 40.72 1cne s ASP 262 CO 0.11 -0.01 -0.05 0.80 -0.17 0.00 0.00 175.17 175.85 1cne n MET 263 N 4.78 0.50 0.00 4.34 1.56 -1.26 -3.85 117.12 123.19 1cne n MET 263 Ca -0.17 0.52 0.00 0.00 -0.27 0.00 0.00 57.70 57.79 1cne n MET 263 Cb 0.51 -1.70 0.00 0.00 2.15 0.00 0.00 33.22 34.19 1cne n MET 263 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1cne n ALA 264 N -3.61 0.00 -0.49 -5.12 0.00 -1.26 -1.25 120.51 108.78 1cne n ALA 264 Ca -0.18 0.00 0.40 0.00 0.00 0.00 0.00 53.44 53.66 1cne n ALA 264 Cb 0.44 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.51 1cne n ALA 264 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1cne n ASN 265 N -0.47 0.00 0.00 0.00 5.03 -1.26 -3.14 115.26 115.41 1cne n ASN 265 Ca 0.00 0.81 0.00 0.00 0.87 0.00 0.00 54.58 56.26 1cne n ASN 265 Cb 0.00 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 1cne n ASN 265 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1cne n SER 266 N -3.46 0.00 -4.57 6.41 7.64 -1.24 -5.04 113.62 113.35 1cne n SER 266 Ca 0.33 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 1cne n SER 266 Cb 1.64 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.82 1cne n SER 266 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1cne s PHE 267 N 0.00 2.34 -0.02 1.43 2.19 -0.38 -3.94 117.98 119.60 1cne s PHE 267 Ca 0.00 0.43 -0.02 0.00 0.33 0.00 0.00 56.93 57.67 1cne s PHE 267 Cb 0.00 -4.43 -0.04 0.00 -1.31 0.00 0.00 43.02 37.24 1cne s PHE 267 CO 0.00 -1.91 0.12 0.14 1.83 0.00 0.00 175.22 175.40 1cne s VAL 268 N 5.84 5.03 0.07 3.12 -7.23 -0.87 -4.96 120.40 121.40 1cne s VAL 268 Ca 0.49 -0.26 0.02 0.00 -1.81 0.00 0.00 61.98 60.43 1cne s VAL 268 Cb -0.10 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1cne s VAL 268 CO 0.24 0.38 -0.07 0.68 -0.31 0.00 0.00 175.10 176.02 1cne s VAL 269 N -1.21 0.61 0.00 1.32 -7.23 -1.25 -0.96 120.40 111.67 1cne s VAL 269 Ca 0.23 -1.47 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 1cne s VAL 269 Cb -0.12 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.72 1cne s VAL 269 CO 0.14 -0.61 0.00 2.22 -0.31 0.00 0.00 175.10 176.54