#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf s SER 2 N 0.00 4.88 -1.73 1.61 1.04 -1.26 -4.74 113.70 113.49 2daf s SER 2 Ca 0.00 -1.77 -0.17 0.00 0.48 0.00 0.00 55.95 54.48 2daf s SER 2 Cb 0.00 -1.69 0.16 0.00 0.10 0.00 0.00 66.02 64.59 2daf s SER 2 CO 0.00 -0.36 0.62 -0.24 0.98 0.00 0.00 173.24 174.24 2daf n SER 3 N 4.47 -2.16 -4.77 7.02 2.88 -1.26 -4.89 113.62 114.91 2daf n SER 3 Ca -0.05 -1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 56.07 2daf n SER 3 Cb 0.42 -2.26 0.10 0.00 -0.75 0.00 0.00 64.21 61.72 2daf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2daf s GLY 4 N -3.46 1.65 0.61 0.46 0.00 -1.26 -5.01 107.32 100.31 2daf s GLY 4 Ca 0.65 0.04 -0.17 0.00 0.00 0.00 0.00 44.72 45.24 2daf s GLY 4 CO 0.97 0.44 1.13 -0.56 0.00 0.00 0.00 173.10 175.08 2daf s SER 5 N -3.57 5.29 -0.15 1.64 0.01 -1.26 -5.06 113.70 110.60 2daf s SER 5 Ca 0.61 2.13 -0.19 0.00 1.31 0.00 0.00 55.95 59.81 2daf s SER 5 Cb -0.16 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.55 2daf s SER 5 CO 0.56 -1.51 0.51 -0.55 0.41 0.00 0.00 173.24 172.66 2daf s SER 6 N -2.13 -0.51 0.00 2.44 0.15 -1.26 -5.15 113.70 107.24 2daf s SER 6 Ca 0.71 0.88 0.00 0.00 0.70 0.00 0.00 55.95 58.24 2daf s SER 6 Cb -0.23 0.90 0.00 0.00 -1.71 0.00 0.00 66.02 64.98 2daf s SER 6 CO 0.35 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2daf n GLY 7 N 2.37 3.66 0.10 9.45 0.00 -1.26 -5.02 105.19 114.48 2daf n GLY 7 Ca -0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2daf n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2daf h GLN 8 N 0.00 0.23 -6.55 1.61 4.20 -2.08 -3.42 115.11 109.10 2daf h GLN 8 Ca 0.00 -0.03 -0.53 0.00 0.06 0.00 0.00 58.65 58.16 2daf h GLN 8 Cb 0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2daf h GLN 8 CO 0.00 0.22 0.48 -1.21 -0.67 0.00 0.00 178.83 177.66 2daf s GLU 9 N -5.89 4.54 0.09 1.46 2.02 -1.26 -5.04 118.70 114.61 2daf s GLU 9 Ca -0.13 1.67 0.04 0.00 0.02 0.00 0.00 54.97 56.57 2daf s GLU 9 Cb 0.07 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.93 2daf s GLU 9 CO 0.69 -0.06 0.03 -1.54 0.02 0.00 0.00 175.26 174.40 2daf s SER 10 N 0.49 5.19 0.19 -0.19 1.04 -1.26 -5.03 113.70 114.13 2daf s SER 10 Ca 0.53 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.77 2daf s SER 10 Cb -0.28 -1.29 0.10 0.00 0.10 0.00 0.00 66.02 64.65 2daf s SER 10 CO 0.31 0.17 1.56 -0.37 0.98 0.00 0.00 173.24 175.89 2daf h VAL 11 N 2.77 1.28 -6.88 5.02 -1.51 -1.98 -3.46 116.25 111.49 2daf h VAL 11 Ca -0.47 -1.50 -0.57 0.00 -1.23 0.00 0.00 66.70 62.93 2daf h VAL 11 Cb 1.16 1.37 -0.28 0.00 -2.13 0.00 0.00 31.29 31.41 2daf h VAL 11 CO 0.62 0.49 -0.86 -1.84 -1.23 0.00 0.00 177.57 174.75 2daf n GLU 12 N -4.07 -0.83 0.00 5.19 0.28 -1.26 -4.73 120.64 115.22 2daf n GLU 12 Ca -0.01 0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2daf n GLU 12 Cb 0.50 -3.85 0.00 0.00 1.43 0.00 0.00 31.44 29.52 2daf n GLU 12 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2daf n ASP 13 N -2.38 4.52 -2.39 -1.84 -0.08 -1.26 -4.77 116.55 108.35 2daf n ASP 13 Ca -0.08 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.01 2daf n ASP 13 Cb 0.51 0.76 0.02 0.00 2.34 0.00 0.00 41.12 44.75 2daf n ASP 13 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2daf n SER 14 N -1.52 3.85 -4.79 1.67 7.64 -1.26 -4.84 113.62 114.37 2daf n SER 14 Ca 0.00 -3.32 -0.36 0.00 1.01 0.00 0.00 58.87 56.20 2daf n SER 14 Cb 0.14 -0.43 -0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2daf n SER 14 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2daf s LEU 15 N -3.55 4.18 -0.09 -3.43 1.43 -1.26 -2.77 118.68 113.19 2daf s LEU 15 Ca 0.43 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.88 2daf s LEU 15 Cb 0.40 -2.04 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2daf s LEU 15 CO -0.05 0.31 -0.19 0.00 0.23 0.00 0.00 176.35 176.66 2daf s ALA 16 N -0.46 1.78 -0.51 4.21 0.00 -0.27 -0.07 121.76 126.45 2daf s ALA 16 Ca 0.11 -0.73 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 2daf s ALA 16 Cb -0.12 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2daf s ALA 16 CO 0.02 0.21 2.09 0.99 0.00 0.00 0.00 175.76 179.07 2daf s THR 17 N 0.48 3.21 -0.34 0.00 2.01 0.29 -3.30 115.64 117.99 2daf s THR 17 Ca -0.17 0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2daf s THR 17 Cb -0.17 -3.50 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2daf s THR 17 CO 0.07 -0.46 0.18 -0.69 -0.69 0.00 0.00 174.62 173.03 2daf s VAL 18 N 9.99 4.56 0.13 3.82 1.01 -1.24 -2.44 120.40 136.24 2daf s VAL 18 Ca 0.82 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 2daf s VAL 18 Cb -0.17 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 2daf s VAL 18 CO 0.25 -0.08 0.71 -0.54 0.00 0.00 0.00 175.10 175.44 2daf s LYS 19 N 1.58 4.46 -0.18 2.72 1.02 -1.22 -3.46 119.74 124.66 2daf s LYS 19 Ca 0.03 1.03 0.01 0.00 0.02 0.00 0.00 55.97 57.06 2daf s LYS 19 Cb -0.18 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2daf s LYS 19 CO 0.06 0.57 -0.18 0.08 -0.92 0.00 0.00 175.35 174.96 2daf s VAL 20 N -1.05 1.99 -0.16 3.17 1.01 0.59 -2.28 120.40 123.67 2daf s VAL 20 Ca 0.34 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2daf s VAL 20 Cb -0.22 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2daf s VAL 20 CO 0.24 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 175.01 2daf s VAL 21 N 1.31 3.17 -0.03 2.92 1.01 -0.76 0.39 120.40 128.40 2daf s VAL 21 Ca 0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2daf s VAL 21 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2daf s VAL 21 CO -0.12 0.50 1.19 -0.76 0.00 0.00 0.00 175.10 175.91 2daf s LEU 22 N 0.65 4.30 -0.03 3.92 1.43 0.61 -1.35 118.68 128.20 2daf s LEU 22 Ca -0.06 1.84 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 2daf s LEU 22 Cb -0.15 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2daf s LEU 22 CO 0.03 -0.54 0.78 0.40 0.23 0.00 0.00 176.35 177.24 2daf h ILE 23 N 4.91 0.19 -0.13 -0.59 1.08 -1.60 0.80 117.51 122.17 2daf h ILE 23 Ca -0.36 -0.64 -0.12 0.00 -0.39 0.00 0.00 64.86 63.35 2daf h ILE 23 Cb 1.17 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2daf h ILE 23 CO 0.86 0.04 -0.45 1.55 -0.69 0.00 0.00 178.15 179.46 2daf h PRO 24 N -1.09 0.33 0.00 2.37 0.13 -1.93 -3.33 132.00 128.48 2daf h PRO 24 Ca -0.06 -0.17 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 2daf h PRO 24 Cb 0.49 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2daf h PRO 24 CO 0.09 0.72 -0.86 0.28 -0.23 0.00 0.00 178.00 178.00 2daf h VAL 25 N 0.27 0.80 0.00 1.56 2.07 -1.86 -3.49 116.25 115.59 2daf h VAL 25 Ca 0.02 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2daf h VAL 25 Cb 0.90 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2daf h VAL 25 CO 0.07 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.54 2daf n GLY 26 N 1.51 0.37 3.78 2.17 0.00 0.28 -5.00 105.19 108.30 2daf n GLY 26 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 2daf n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daf s GLN 27 N -0.93 4.40 -0.01 1.61 0.74 -1.25 -4.60 119.66 119.62 2daf s GLN 27 Ca 0.00 1.51 0.00 0.00 0.05 0.00 0.00 55.36 56.92 2daf s GLN 27 Cb 0.00 -2.76 -0.04 0.00 1.10 0.00 0.00 33.01 31.31 2daf s GLN 27 CO 0.00 0.07 0.04 -2.00 -0.55 0.00 0.00 175.29 172.85 2daf s GLU 28 N -2.13 2.94 0.03 1.67 2.12 -1.26 -0.29 118.70 121.78 2daf s GLU 28 Ca 0.52 -0.52 0.01 0.00 0.36 0.00 0.00 54.97 55.34 2daf s GLU 28 Cb -0.23 -2.78 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 2daf s GLU 28 CO 0.29 0.65 -0.05 0.42 -0.54 0.00 0.00 175.26 176.02 2daf s ILE 29 N -1.11 0.34 -0.13 -3.70 1.01 0.16 -4.99 121.20 112.79 2daf s ILE 29 Ca 0.20 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.03 2daf s ILE 29 Cb -0.12 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 41.95 2daf s ILE 29 CO 0.11 -0.33 -0.19 -0.69 0.00 0.00 0.00 174.94 173.83 2daf s VAL 30 N -1.16 1.82 -0.13 2.92 1.01 -1.26 -0.30 120.40 123.31 2daf s VAL 30 Ca -0.10 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 2daf s VAL 30 Cb -0.08 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.70 2daf s VAL 30 CO -0.00 0.50 0.33 -0.51 0.00 0.00 0.00 175.10 175.42 2daf s ILE 31 N 0.90 -0.01 0.35 2.22 2.07 -1.22 -5.04 121.20 120.46 2daf s ILE 31 Ca -0.07 0.03 -0.27 0.00 -1.41 0.00 0.00 60.65 58.93 2daf s ILE 31 Cb -0.15 -0.47 -0.09 0.00 0.13 0.00 0.00 42.46 41.87 2daf s ILE 31 CO -0.02 0.01 1.21 -2.16 -1.91 0.00 0.00 174.94 172.07 2daf s PRO 32 N 0.48 4.28 0.01 3.50 0.04 -1.26 -3.59 135.00 138.46 2daf s PRO 32 Ca -0.03 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 62.90 2daf s PRO 32 Cb -0.04 -2.93 0.01 0.00 0.04 0.00 0.00 34.50 31.58 2daf s PRO 32 CO -0.03 -0.17 0.20 0.12 0.04 0.00 0.00 177.00 177.16 2daf s PHE 33 N -1.25 -0.01 -0.11 0.56 5.36 -1.21 -4.98 117.98 116.34 2daf s PHE 33 Ca 0.51 -0.06 -0.24 0.00 -0.96 0.00 0.00 56.93 56.18 2daf s PHE 33 Cb -0.35 -0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.30 2daf s PHE 33 CO 0.45 -0.35 0.75 0.15 -1.46 0.00 0.00 175.22 174.76 2daf s LYS 34 N -1.63 4.37 0.16 10.12 3.01 -1.26 -1.11 119.74 133.40 2daf s LYS 34 Ca -0.12 0.93 0.19 0.00 -1.01 0.00 0.00 55.97 55.96 2daf s LYS 34 Cb -0.06 -3.51 0.82 0.00 -1.01 0.00 0.00 37.83 34.08 2daf s LYS 34 CO 0.01 -0.11 1.59 1.33 0.51 0.00 0.00 175.35 178.68 2daf n VAL 35 N 4.21 0.96 0.21 3.17 0.24 -1.12 -1.60 118.33 124.40 2daf n VAL 35 Ca 0.01 0.28 0.10 0.00 -2.04 0.00 0.00 64.34 62.69 2daf n VAL 35 Cb 0.50 -1.16 0.19 0.00 -1.47 0.00 0.00 33.84 31.90 2daf n VAL 35 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2daf n ASP 36 N -1.94 3.21 -4.55 -1.34 5.68 -1.26 -1.50 116.55 114.84 2daf n ASP 36 Ca 0.02 -1.92 -0.34 0.00 -0.50 0.00 0.00 54.79 52.05 2daf n ASP 36 Cb 0.18 -0.23 -0.11 0.00 -1.14 0.00 0.00 41.12 39.83 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2daf s THR 37 N -1.30 4.14 0.44 2.12 2.01 -0.63 -4.99 115.64 117.44 2daf s THR 37 Ca 0.33 -0.27 -0.23 0.00 0.31 0.00 0.00 61.69 61.83 2daf s THR 37 Cb 0.19 -2.82 -0.10 0.00 0.01 0.00 0.00 72.50 69.78 2daf s THR 37 CO 0.27 0.50 0.89 2.30 -0.69 0.00 0.00 174.62 177.89 2daf n ILE 38 N 3.34 2.43 0.30 1.82 -5.35 -1.26 -4.47 119.36 116.17 2daf n ILE 38 Ca -0.17 -0.50 0.16 0.00 -0.27 0.00 0.00 62.75 61.97 2daf n ILE 38 Cb 0.53 -1.01 0.93 0.00 -1.74 0.00 0.00 39.64 38.35 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2daf h LEU 39 N 1.23 0.00 -0.23 7.28 3.38 -1.57 -3.14 115.31 122.26 2daf h LEU 39 Ca -0.44 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2daf h LEU 39 Cb 1.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 2daf h LEU 39 CO 0.55 0.03 -0.32 0.50 0.09 0.00 0.00 178.44 179.29 2daf h LYS 40 N 0.00 -0.23 -0.03 1.13 3.11 -1.78 -1.88 116.57 116.89 2daf h LYS 40 Ca -0.00 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2daf h LYS 40 Cb 0.12 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2daf h LYS 40 CO 0.00 -0.15 -0.02 0.66 -2.81 0.00 0.00 179.45 177.14 2daf n TYR 41 N -4.24 -0.01 -0.32 1.91 4.02 -1.19 0.13 117.16 117.46 2daf n TYR 41 Ca -0.02 0.03 0.19 0.00 -0.01 0.00 0.00 57.90 58.09 2daf n TYR 41 Cb 0.20 -0.37 0.39 0.00 -0.02 0.00 0.00 39.34 39.54 2daf n TYR 41 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2daf h LEU 42 N 0.00 0.15 -0.01 7.72 5.85 -1.69 -2.00 115.31 125.32 2daf h LEU 42 Ca 0.00 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.94 2daf h LEU 42 Cb 0.01 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2daf h LEU 42 CO -0.03 -0.21 -0.01 0.50 -0.34 0.00 0.00 178.44 178.35 2daf h LYS 43 N 0.20 -0.01 -0.96 1.25 3.64 0.18 -0.52 116.57 120.36 2daf h LYS 43 Ca 0.65 0.00 0.26 0.00 -1.27 0.00 0.00 60.65 60.30 2daf h LYS 43 Cb 1.45 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 33.10 2daf h LYS 43 CO -0.69 -0.00 0.05 -0.44 -2.27 0.00 0.00 179.45 176.10 2daf h ASP 44 N -0.01 -0.42 -0.79 4.20 5.19 -1.13 0.24 116.42 123.69 2daf h ASP 44 Ca 0.00 0.27 0.21 0.00 -0.62 0.00 0.00 57.03 56.89 2daf h ASP 44 Cb 0.01 0.46 -0.15 0.00 0.18 0.00 0.00 39.33 39.83 2daf h ASP 44 CO -0.02 -0.33 -0.01 1.57 -3.12 0.00 0.00 179.24 177.33 2daf n HIS 45 N -5.46 0.47 -0.02 4.55 -0.00 -0.21 0.25 115.22 114.82 2daf n HIS 45 Ca 0.22 0.95 -0.15 0.00 0.46 0.00 0.00 57.72 59.21 2daf n HIS 45 Cb 0.74 -1.07 -0.14 0.00 -0.12 0.00 0.00 29.99 29.39 2daf n HIS 45 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2daf n PHE 46 N -5.14 1.05 0.31 1.57 3.01 0.69 -3.40 117.46 115.55 2daf n PHE 46 Ca 0.18 0.29 -0.18 0.00 1.01 0.00 0.00 57.45 58.75 2daf n PHE 46 Cb 0.58 -1.16 -0.09 0.00 -0.01 0.00 0.00 39.48 38.80 2daf n PHE 46 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2daf h SER 47 N 0.03 -1.17 0.39 4.37 0.02 0.13 0.36 113.55 117.68 2daf h SER 47 Ca -0.37 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2daf h SER 47 Cb 2.03 0.37 0.00 0.00 0.14 0.00 0.00 62.40 64.95 2daf h SER 47 CO 0.08 -0.63 -0.19 1.12 -1.14 0.00 0.00 176.83 176.07 2daf h HIS 48 N -0.96 -0.49 0.09 3.45 2.07 -0.36 -0.56 115.15 118.40 2daf h HIS 48 Ca -0.06 -0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.46 2daf h HIS 48 Cb 0.82 0.16 -0.05 0.00 2.57 0.00 0.00 27.41 30.91 2daf h HIS 48 CO -0.19 -0.25 -0.51 1.25 -3.07 0.00 0.00 177.93 175.16 2daf h LEU 49 N -0.61 -1.54 -1.83 6.12 7.12 -1.56 -0.29 115.31 122.71 2daf h LEU 49 Ca -0.05 0.17 0.17 0.00 0.13 0.00 0.00 57.88 58.29 2daf h LEU 49 Cb 0.45 0.57 -0.04 0.00 -0.53 0.00 0.00 40.66 41.12 2daf h LEU 49 CO 0.09 -0.54 0.48 -0.07 -0.13 0.00 0.00 178.44 178.26 2daf h LEU 50 N -0.72 0.15 0.00 2.25 3.38 -0.28 -3.45 115.31 116.63 2daf h LEU 50 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2daf h LEU 50 Cb 0.74 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2daf h LEU 50 CO -0.30 0.07 0.00 0.61 0.09 0.00 0.00 178.44 178.92 2daf n GLY 51 N -1.61 0.89 3.31 0.83 0.00 -0.12 -4.94 105.19 103.55 2daf n GLY 51 Ca 0.13 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 2daf n GLY 51 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2daf s ILE 52 N -2.00 1.88 0.12 -0.61 -4.36 -0.34 -5.00 121.20 110.88 2daf s ILE 52 Ca 0.00 -1.52 -0.31 0.00 -0.26 0.00 0.00 60.65 58.56 2daf s ILE 52 Cb 0.00 -1.67 -0.08 0.00 1.25 0.00 0.00 42.46 41.96 2daf s ILE 52 CO 0.00 0.07 1.36 -2.16 0.24 0.00 0.00 174.94 174.44 2daf s PRO 53 N -1.75 4.34 0.65 0.37 0.04 -1.26 -4.11 135.00 133.29 2daf s PRO 53 Ca 0.09 2.03 0.25 0.00 0.04 0.00 0.00 61.00 63.41 2daf s PRO 53 Cb -0.10 -3.26 1.34 0.00 0.04 0.00 0.00 34.50 32.53 2daf s PRO 53 CO 0.04 -0.40 1.75 1.12 0.04 0.00 0.00 177.00 179.55 2daf h HIS 54 N 6.68 0.00 -0.82 0.56 2.07 -1.88 -0.06 115.15 121.69 2daf h HIS 54 Ca -0.42 0.00 0.17 0.00 -2.85 0.00 0.00 60.37 57.26 2daf h HIS 54 Cb 1.21 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.13 2daf h HIS 54 CO 0.66 0.00 0.55 1.03 -3.07 0.00 0.00 177.93 177.09 2daf h SER 55 N 0.00 0.43 0.51 3.10 0.87 -2.02 -0.60 113.55 115.85 2daf h SER 55 Ca 0.00 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.46 2daf h SER 55 Cb 0.87 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2daf h SER 55 CO 0.00 0.21 -1.59 1.33 -0.53 0.00 0.00 176.83 176.24 2daf n VAL 56 N -4.50 0.85 -3.35 2.23 0.24 -0.04 -4.89 118.33 108.87 2daf n VAL 56 Ca 0.16 -0.65 -0.38 0.00 -2.04 0.00 0.00 64.34 61.44 2daf n VAL 56 Cb 0.58 -0.46 -0.06 0.00 -1.47 0.00 0.00 33.84 32.42 2daf n VAL 56 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2daf s LEU 57 N -5.39 4.34 0.29 1.34 2.96 -0.23 -0.25 118.68 121.75 2daf s LEU 57 Ca -0.05 0.89 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 2daf s LEU 57 Cb 0.10 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 2daf s LEU 57 CO 0.83 0.10 0.10 -1.10 -1.32 0.00 0.00 176.35 174.96 2daf s GLN 58 N 0.08 1.52 -0.04 1.98 -0.21 -0.55 -4.77 119.66 117.66 2daf s GLN 58 Ca 0.26 -1.84 0.03 0.00 0.02 0.00 0.00 55.36 53.83 2daf s GLN 58 Cb -0.16 -0.40 0.00 0.00 1.00 0.00 0.00 33.01 33.45 2daf s GLN 58 CO 0.12 -0.30 -0.12 0.42 -2.12 0.00 0.00 175.29 173.29 2daf s ILE 59 N -3.60 1.08 -0.14 1.08 1.01 -1.26 -3.19 121.20 116.18 2daf s ILE 59 Ca 0.37 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.53 2daf s ILE 59 Cb 0.07 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2daf s ILE 59 CO 0.15 0.33 -0.20 -0.60 0.00 0.00 0.00 174.94 174.61 2daf s ARG 60 N 0.27 3.09 0.01 2.79 3.52 -1.09 -2.94 118.95 124.60 2daf s ARG 60 Ca -0.06 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.73 2daf s ARG 60 Cb -0.11 -2.47 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 2daf s ARG 60 CO 0.02 0.03 -0.05 -0.47 -0.81 0.00 0.00 175.30 174.02 2daf s TYR 61 N 0.73 0.45 -1.74 5.12 5.04 -0.52 -2.86 117.35 123.56 2daf s TYR 61 Ca -0.09 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 2daf s TYR 61 Cb -0.16 -0.28 0.00 0.00 0.35 0.00 0.00 41.96 41.87 2daf s TYR 61 CO 0.00 -0.03 0.00 0.43 -1.34 0.00 0.00 175.55 174.61 2daf n SER 62 N 2.58 -5.66 0.00 4.32 7.64 -1.26 -0.72 113.62 120.51 2daf n SER 62 Ca -0.15 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2daf n SER 62 Cb 0.57 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daf n GLY 63 N -0.94 0.31 3.32 0.23 0.00 -1.26 -4.98 105.19 101.86 2daf n GLY 63 Ca -0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 2daf n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2daf s LYS 64 N -0.90 1.39 -0.10 1.61 -2.85 0.10 -5.11 119.74 113.89 2daf s LYS 64 Ca 0.00 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.53 2daf s LYS 64 Cb 0.00 -1.67 -0.01 0.00 -2.06 0.00 0.00 37.83 34.09 2daf s LYS 64 CO 0.00 0.41 1.02 0.42 0.10 0.00 0.00 175.35 177.30 2daf s ILE 65 N -0.98 4.75 0.60 3.79 -1.09 -1.26 -1.44 121.20 125.57 2daf s ILE 65 Ca 0.10 2.01 0.02 0.00 -2.23 0.00 0.00 60.65 60.55 2daf s ILE 65 Cb -0.10 -4.29 0.07 0.00 -1.58 0.00 0.00 42.46 36.56 2daf s ILE 65 CO 0.04 0.01 0.83 -0.76 -1.23 0.00 0.00 174.94 173.83 2daf s LEU 66 N 1.97 3.18 0.00 2.97 1.43 -1.15 -4.97 118.68 122.11 2daf s LEU 66 Ca 0.49 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 53.36 2daf s LEU 66 Cb -0.19 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.60 2daf s LEU 66 CO 0.19 -1.37 0.06 0.29 0.23 0.00 0.00 176.35 175.74 2daf n LYS 67 N -2.46 0.89 -0.06 1.70 5.02 -1.26 -4.79 118.16 117.19 2daf n LYS 67 Ca 0.11 -3.24 -0.20 0.00 -2.02 0.00 0.00 58.31 52.96 2daf n LYS 67 Cb 0.60 0.78 -0.13 0.00 -0.02 0.00 0.00 35.03 36.27 2daf n LYS 67 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 2daf h ASN 68 N 0.99 0.11 0.44 4.39 -1.07 -1.99 -3.33 115.58 115.13 2daf h ASN 68 Ca -0.36 -0.72 0.00 0.00 0.07 0.00 0.00 56.30 55.29 2daf h ASN 68 Cb 1.13 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 2daf h ASN 68 CO 0.60 1.43 0.00 -0.46 0.07 0.00 0.00 177.43 179.07 2daf n ASN 69 N -4.31 0.00 -4.73 6.14 6.94 -1.26 -2.85 115.26 115.19 2daf n ASN 69 Ca -0.25 0.39 -0.29 0.00 -0.02 0.00 0.00 54.58 54.40 2daf n ASN 69 Cb 0.71 -0.45 0.14 0.00 -2.36 0.00 0.00 39.78 37.82 2daf n ASN 69 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2daf s GLU 70 N -2.89 1.15 0.03 -3.83 0.41 -1.25 -4.92 118.70 107.40 2daf s GLU 70 Ca 0.09 0.63 0.02 0.00 -0.41 0.00 0.00 54.97 55.30 2daf s GLU 70 Cb 0.10 -1.81 -0.02 0.00 -1.78 0.00 0.00 34.13 30.62 2daf s GLU 70 CO 0.26 -2.26 -0.07 0.99 -0.49 0.00 0.00 175.26 173.68 2daf s THR 71 N -3.03 0.53 0.20 3.63 2.01 -1.26 -2.91 115.64 114.81 2daf s THR 71 Ca 0.64 -0.87 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 2daf s THR 71 Cb -0.17 -0.56 0.14 0.00 0.01 0.00 0.00 72.50 71.92 2daf s THR 71 CO 0.56 -0.25 1.85 -0.07 -0.69 0.00 0.00 174.62 176.03 2daf h LEU 72 N 4.88 0.84 -1.40 4.42 -0.00 -1.78 -1.87 115.31 120.41 2daf h LEU 72 Ca -0.34 -0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.43 2daf h LEU 72 Cb 1.20 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.64 2daf h LEU 72 CO 0.43 0.64 -0.26 -0.37 -0.00 0.00 0.00 178.44 178.88 2daf h VAL 73 N 0.97 1.21 0.00 1.22 -1.51 -1.42 -0.86 116.25 115.85 2daf h VAL 73 Ca 0.26 -0.97 -0.12 0.00 -1.23 0.00 0.00 66.70 64.64 2daf h VAL 73 Cb -0.06 1.48 -0.02 0.00 -2.13 0.00 0.00 31.29 30.56 2daf h VAL 73 CO -0.05 0.28 -0.55 1.56 -1.23 0.00 0.00 177.57 177.58 2daf h GLN 74 N 0.05 0.00 0.10 5.19 4.20 -1.65 -3.16 115.11 119.84 2daf h GLN 74 Ca 0.01 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.43 2daf h GLN 74 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2daf h GLN 74 CO 0.04 0.55 -1.44 0.45 -0.67 0.00 0.00 178.83 177.76 2daf h HIS 75 N 0.00 0.39 0.00 2.96 3.86 -0.83 -3.48 115.15 118.05 2daf h HIS 75 Ca -0.01 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 58.92 2daf h HIS 75 Cb 1.05 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.50 2daf h HIS 75 CO 0.00 1.31 0.00 0.41 0.86 0.00 0.00 177.93 180.51 2daf n GLY 76 N 1.61 0.27 3.05 2.45 0.00 -0.43 -5.12 105.19 107.02 2daf n GLY 76 Ca -0.13 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2daf n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2daf s VAL 77 N 0.00 1.20 0.26 1.61 1.01 -0.60 -4.98 120.40 118.89 2daf s VAL 77 Ca 0.00 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.51 2daf s VAL 77 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2daf s VAL 77 CO 0.00 0.36 0.27 -0.54 0.00 0.00 0.00 175.10 175.20 2daf s LYS 78 N 0.50 3.08 0.44 2.72 -0.14 -1.26 -4.14 119.74 120.93 2daf s LYS 78 Ca -0.12 -0.98 -0.24 0.00 -1.36 0.00 0.00 55.97 53.27 2daf s LYS 78 Cb -0.15 -2.67 -0.08 0.00 -1.68 0.00 0.00 37.83 33.26 2daf s LYS 78 CO 0.03 0.36 1.17 -1.25 -0.76 0.00 0.00 175.35 174.91 2daf s PRO 79 N -3.92 3.84 -0.79 -1.68 0.04 -1.26 -3.84 135.00 127.39 2daf s PRO 79 Ca 0.35 1.81 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 2daf s PRO 79 Cb -0.08 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 2daf s PRO 79 CO 0.27 -0.49 0.66 1.04 0.04 0.00 0.00 177.00 178.52 2daf n GLN 80 N -0.31 -3.90 -4.29 4.56 1.13 0.91 -4.95 117.38 110.53 2daf n GLN 80 Ca 0.06 0.58 -0.16 0.00 -1.94 0.00 0.00 57.00 55.54 2daf n GLN 80 Cb 0.47 -4.71 -0.10 0.00 0.11 0.00 0.00 30.24 26.02 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2daf s GLU 81 N -4.73 1.27 -0.14 -1.09 -1.05 -1.25 -4.94 118.70 106.78 2daf s GLU 81 Ca 0.06 -1.64 0.01 0.00 -0.15 0.00 0.00 54.97 53.25 2daf s GLU 81 Cb -0.01 -0.40 -0.00 0.00 -0.44 0.00 0.00 34.13 33.28 2daf s GLU 81 CO 0.49 -0.16 -0.16 0.42 0.95 0.00 0.00 175.26 176.80 2daf s ILE 82 N -3.59 2.64 0.39 1.83 1.01 -1.26 -0.55 121.20 121.67 2daf s ILE 82 Ca 0.29 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2daf s ILE 82 Cb 0.06 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.43 2daf s ILE 82 CO 0.08 0.53 0.12 1.33 0.00 0.00 0.00 174.94 176.99 2daf n VAL 83 N 3.83 0.00 -3.57 2.92 0.24 -1.02 -5.04 118.33 115.69 2daf n VAL 83 Ca -0.19 -2.21 -0.16 0.00 -2.04 0.00 0.00 64.34 59.74 2daf n VAL 83 Cb 0.52 0.74 -0.13 0.00 -1.47 0.00 0.00 33.84 33.50 2daf n VAL 83 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2daf s GLN 84 N -3.48 0.16 0.06 7.34 0.74 -1.26 -3.39 119.66 119.83 2daf s GLN 84 Ca 0.16 0.47 0.08 0.00 0.05 0.00 0.00 55.36 56.12 2daf s GLN 84 Cb 0.01 -0.62 -0.03 0.00 1.10 0.00 0.00 33.01 33.47 2daf s GLN 84 CO 0.12 -0.48 -0.21 0.14 -0.55 0.00 0.00 175.29 174.31 2daf s VAL 85 N 2.37 1.69 -0.11 1.34 -7.23 -0.96 -4.71 120.40 112.78 2daf s VAL 85 Ca 0.05 -1.28 -0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2daf s VAL 85 Cb -0.14 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.29 2daf s VAL 85 CO -0.10 0.15 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.20 2daf s GLU 86 N -1.35 3.26 -0.03 4.82 8.01 -1.14 -1.84 118.70 130.44 2daf s GLU 86 Ca 0.07 -0.48 0.01 0.00 0.01 0.00 0.00 54.97 54.58 2daf s GLU 86 Cb -0.09 -2.82 -0.03 0.00 -4.31 0.00 0.00 34.13 26.88 2daf s GLU 86 CO 0.02 0.49 -0.00 0.42 0.01 0.00 0.00 175.26 176.20 2daf s ILE 87 N -0.31 4.17 0.17 -1.63 1.01 -0.46 -2.66 121.20 121.49 2daf s ILE 87 Ca 0.06 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 2daf s ILE 87 Cb -0.12 -2.82 0.06 0.00 0.01 0.00 0.00 42.46 39.58 2daf s ILE 87 CO 0.02 0.45 0.87 0.72 0.00 0.00 0.00 174.94 177.00 2daf s PHE 88 N -1.02 -0.19 0.01 3.97 -0.12 -1.19 -1.48 117.98 117.96 2daf s PHE 88 Ca 0.18 -0.13 0.05 0.00 -0.05 0.00 0.00 56.93 56.98 2daf s PHE 88 Cb -0.11 0.64 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 2daf s PHE 88 CO 0.08 -0.90 -0.15 0.45 -0.05 0.00 0.00 175.22 174.65 2daf s SER 89 N -2.87 3.99 0.22 1.98 0.15 -1.26 -1.48 113.70 114.42 2daf s SER 89 Ca 0.10 -0.31 0.03 0.00 0.70 0.00 0.00 55.95 56.47 2daf s SER 89 Cb -0.02 -0.75 0.18 0.00 -1.71 0.00 0.00 66.02 63.72 2daf s SER 89 CO 0.01 0.29 1.52 0.71 1.20 0.00 0.00 173.24 176.96 2daf h THR 90 N 4.03 1.39 -2.96 6.45 1.35 -0.98 -3.37 112.91 118.82 2daf h THR 90 Ca -0.47 -2.06 -0.62 0.00 -0.55 0.00 0.00 66.41 62.71 2daf h THR 90 Cb 1.16 2.05 -0.41 0.00 -1.73 0.00 0.00 68.15 69.22 2daf h THR 90 CO 0.49 0.61 -0.66 0.21 -0.25 0.00 0.00 175.52 175.93 2daf s ASN 91 N -6.91 4.10 0.46 5.36 2.47 -1.26 -4.92 114.94 114.24 2daf s ASN 91 Ca -0.04 -3.60 0.31 0.00 0.42 0.00 0.00 52.86 49.95 2daf s ASN 91 Cb 0.11 -1.38 1.28 0.00 -1.45 0.00 0.00 41.25 39.81 2daf s ASN 91 CO 0.81 -0.12 1.91 1.55 -3.72 0.00 0.00 177.10 177.53 2daf h PRO 92 N 5.58 0.00 -0.22 0.43 0.13 -1.75 -0.14 132.00 136.02 2daf h PRO 92 Ca 0.15 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.08 2daf h PRO 92 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2daf h PRO 92 CO 0.64 0.00 -0.62 -0.44 -0.23 0.00 0.00 178.00 177.35 2daf h ASP 93 N 0.00 0.87 0.03 1.44 5.19 -1.96 -2.75 116.42 119.24 2daf h ASP 93 Ca 0.00 -0.50 -0.30 0.00 -0.62 0.00 0.00 57.03 55.61 2daf h ASP 93 Cb 0.45 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.67 2daf h ASP 93 CO 0.00 1.28 -1.66 0.18 -3.12 0.00 0.00 179.24 175.92 2daf n LEU 94 N -3.97 2.09 -3.69 1.55 4.77 -1.12 -4.73 117.00 111.89 2daf n LEU 94 Ca -0.05 0.34 -0.28 0.00 -0.03 0.00 0.00 56.01 55.99 2daf n LEU 94 Cb 0.66 -0.98 -0.11 0.00 -2.33 0.00 0.00 43.42 40.66 2daf n LEU 94 CO 0.50 0.47 -0.16 -0.31 -1.33 0.00 0.00 177.39 176.57 2daf s TYR 95 N -2.43 2.53 0.56 -1.77 1.51 -0.08 -5.11 117.35 112.55 2daf s TYR 95 Ca -0.29 -2.90 -0.19 0.00 -1.01 0.00 0.00 57.07 52.67 2daf s TYR 95 Cb 0.07 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 2daf s TYR 95 CO 0.62 -0.67 1.13 -1.25 -1.11 0.00 0.00 175.55 174.27 2daf s PRO 96 N -0.78 3.30 -0.05 -1.71 0.04 -1.04 -4.31 135.00 130.46 2daf s PRO 96 Ca 0.28 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 2daf s PRO 96 Cb -0.02 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 2daf s PRO 96 CO -0.17 -0.89 0.41 0.08 0.04 0.00 0.00 177.00 176.47 2daf s VAL 97 N -1.83 5.10 0.27 -0.36 1.01 -1.26 -4.99 120.40 118.33 2daf s VAL 97 Ca 0.72 0.84 0.01 0.00 0.00 0.00 0.00 61.98 63.54 2daf s VAL 97 Cb -0.23 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.42 2daf s VAL 97 CO 0.28 0.49 0.05 0.54 0.00 0.00 0.00 175.10 176.47 2daf n ARG 98 N 2.49 1.30 -3.64 2.72 1.74 -1.26 -4.76 116.66 115.26 2daf n ARG 98 Ca -0.12 -1.88 -0.29 0.00 -0.77 0.00 0.00 57.85 54.79 2daf n ARG 98 Cb 0.52 0.44 -0.04 0.00 -1.02 0.00 0.00 32.46 32.36 2daf n ARG 98 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2daf s ARG 99 N -3.00 3.57 -0.83 5.56 3.03 -1.26 -4.95 118.95 121.08 2daf s ARG 99 Ca 0.04 -0.20 -0.19 0.00 2.03 0.00 0.00 55.73 57.41 2daf s ARG 99 Cb -0.00 -2.82 0.13 0.00 -1.03 0.00 0.00 34.95 31.23 2daf s ARG 99 CO 0.02 0.40 0.99 0.42 -1.13 0.00 0.00 175.30 176.01 2daf s ILE 100 N -1.82 4.81 -1.77 4.99 -1.09 -1.26 -4.52 121.20 120.54 2daf s ILE 100 Ca 0.40 -1.45 -0.16 0.00 -2.23 0.00 0.00 60.65 57.21 2daf s ILE 100 Cb -0.11 -4.68 0.16 0.00 -1.58 0.00 0.00 42.46 36.25 2daf s ILE 100 CO 0.27 -1.38 0.43 0.47 -1.23 0.00 0.00 174.94 173.50 2daf n ASP 101 N 6.31 -1.04 -3.01 3.58 9.92 -1.26 -4.89 116.55 126.17 2daf n ASP 101 Ca 0.14 -1.24 -0.03 0.00 -0.53 0.00 0.00 54.79 53.13 2daf n ASP 101 Cb 0.47 -1.67 0.03 0.00 -0.64 0.00 0.00 41.12 39.31 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2daf n GLY 102 N -1.55 -3.73 3.02 0.44 0.00 -1.26 -5.05 105.19 97.05 2daf n GLY 102 Ca -0.02 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 2daf n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2daf s LEU 103 N 0.00 2.03 0.00 0.99 1.43 -1.26 -5.03 118.68 116.84 2daf s LEU 103 Ca 0.06 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 2daf s LEU 103 Cb -0.01 -0.43 0.00 0.00 0.03 0.00 0.00 46.19 45.78 2daf s LEU 103 CO 0.05 0.09 0.00 0.35 0.23 0.00 0.00 176.35 177.07 2daf n THR 104 N 2.81 0.00 -1.74 5.49 -2.24 -1.26 -5.08 114.28 112.26 2daf n THR 104 Ca -0.14 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 2daf n THR 104 Cb 0.57 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.42 2daf n THR 104 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2daf n ASP 105 N -2.12 3.16 -4.08 3.42 8.00 -1.26 -5.02 116.55 118.65 2daf n ASP 105 Ca 0.00 1.14 -0.16 0.00 0.71 0.00 0.00 54.79 56.48 2daf n ASP 105 Cb 0.19 -1.57 -0.12 0.00 -0.02 0.00 0.00 41.12 39.59 2daf n ASP 105 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2daf s VAL 106 N -1.18 0.73 -0.21 2.53 0.11 -1.26 -5.07 120.40 116.05 2daf s VAL 106 Ca 0.60 -0.94 -0.16 0.00 -2.93 0.00 0.00 61.98 58.55 2daf s VAL 106 Cb -0.47 -0.72 -0.11 0.00 -1.53 0.00 0.00 36.38 33.55 2daf s VAL 106 CO 0.59 -0.18 -0.13 -0.24 -3.33 0.00 0.00 175.10 171.80 2daf n SER 107 N 1.80 1.89 -3.71 3.54 2.88 -1.26 -4.98 113.62 113.78 2daf n SER 107 Ca -0.20 0.43 -0.15 0.00 -1.33 0.00 0.00 58.87 57.63 2daf n SER 107 Cb 0.55 -0.86 -0.15 0.00 -0.75 0.00 0.00 64.21 63.00 2daf n SER 107 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2daf s GLN 108 N -2.48 0.08 -0.11 -1.46 -0.21 -1.26 -5.14 119.66 109.08 2daf s GLN 108 Ca -0.28 0.47 -0.04 0.00 0.02 0.00 0.00 55.36 55.52 2daf s GLN 108 Cb 0.07 -0.21 0.06 0.00 1.00 0.00 0.00 33.01 33.93 2daf s GLN 108 CO 0.45 -0.23 0.23 -1.50 -2.12 0.00 0.00 175.29 172.13 2daf s ILE 109 N 1.66 -0.32 0.02 1.08 2.07 -1.26 -5.15 121.20 119.30 2daf s ILE 109 Ca -0.04 0.28 -0.28 0.00 -1.41 0.00 0.00 60.65 59.20 2daf s ILE 109 Cb -0.12 -0.40 0.08 0.00 0.13 0.00 0.00 42.46 42.16 2daf s ILE 109 CO -0.06 0.12 0.71 -0.51 -1.91 0.00 0.00 174.94 173.29 2daf s ILE 110 N 2.21 0.00 -0.03 2.00 2.07 -1.26 -5.17 121.20 121.03 2daf s ILE 110 Ca 0.00 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 2daf s ILE 110 Cb -0.12 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 2daf s ILE 110 CO -0.08 0.00 0.10 -0.89 -1.91 0.00 0.00 174.94 172.16 2daf s THR 111 N -2.38 4.94 -0.15 4.00 2.01 -1.26 -5.10 115.64 117.70 2daf s THR 111 Ca -0.03 -0.25 -0.06 0.00 0.31 0.00 0.00 61.69 61.65 2daf s THR 111 Cb -0.01 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 2daf s THR 111 CO -0.02 0.41 0.07 -0.69 -0.69 0.00 0.00 174.62 173.70 2daf s VAL 112 N -1.17 4.90 1.03 3.82 1.01 -1.26 -5.09 120.40 123.64 2daf s VAL 112 Ca 0.22 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 2daf s VAL 112 Cb -0.12 -3.16 0.11 0.00 0.00 0.00 0.00 36.38 33.21 2daf s VAL 112 CO 0.12 0.53 0.46 -1.54 0.00 0.00 0.00 175.10 174.68 2daf n SER 113 N 2.82 -1.80 -1.83 3.32 3.41 -1.26 -5.04 113.62 113.24 2daf n SER 113 Ca -0.18 0.14 -0.03 0.00 -0.26 0.00 0.00 58.87 58.54 2daf n SER 113 Cb 0.53 -1.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.30 2daf n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daf n GLY 114 N 1.43 4.02 0.03 5.00 0.00 -1.26 -5.16 105.19 109.25 2daf n GLY 114 Ca 0.05 -1.98 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 2daf n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2daf n PRO 115 N -0.12 -1.04 -4.16 1.61 -0.04 -1.26 -5.11 135.00 124.89 2daf n PRO 115 Ca -0.01 -0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.27 2daf n PRO 115 Cb 0.08 -0.02 -0.06 0.00 -0.04 0.00 0.00 33.50 33.46 2daf n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2daf s SER 116 N -1.54 1.13 0.40 3.54 1.04 -1.26 -5.19 113.70 111.82 2daf s SER 116 Ca 0.01 -1.57 0.04 0.00 0.48 0.00 0.00 55.95 54.91 2daf s SER 116 Cb -0.00 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 2daf s SER 116 CO 0.01 -1.20 0.13 -0.44 0.98 0.00 0.00 173.24 172.72 2daf s SER 117 N -3.28 2.73 0.00 7.02 0.01 -1.26 -5.38 113.70 113.54 2daf s SER 117 Ca 0.34 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 55.94 2daf s SER 117 Cb 0.01 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2daf s SER 117 CO 0.22 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.56