#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf n SER 2 N 0.00 0.03 -4.10 1.61 2.88 -1.26 -4.52 113.62 108.26 2daf n SER 2 Ca 0.00 1.32 -0.37 0.00 -1.33 0.00 0.00 58.87 58.50 2daf n SER 2 Cb 0.00 -0.53 0.04 0.00 -0.75 0.00 0.00 64.21 62.96 2daf n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2daf n SER 3 N -5.00 -5.04 -4.60 -3.46 3.41 -1.26 -4.94 113.62 92.74 2daf n SER 3 Ca 0.22 0.34 -0.29 0.00 -0.26 0.00 0.00 58.87 58.88 2daf n SER 3 Cb 0.74 -0.82 0.13 0.00 -0.26 0.00 0.00 64.21 64.00 2daf n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2daf s GLY 4 N -1.06 1.64 0.06 5.00 0.00 -1.26 -5.09 107.32 106.61 2daf s GLY 4 Ca 0.46 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 44.45 2daf s GLY 4 CO 0.77 -0.19 -0.18 -0.56 0.00 0.00 0.00 173.10 172.93 2daf s SER 5 N -4.52 2.13 0.29 1.64 0.01 -1.26 -5.11 113.70 106.88 2daf s SER 5 Ca 0.66 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 57.21 2daf s SER 5 Cb -0.10 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.01 2daf s SER 5 CO 0.51 0.06 0.64 -0.94 0.41 0.00 0.00 173.24 173.93 2daf s SER 6 N -1.42 -0.07 -0.30 2.44 1.04 -1.26 -5.14 113.70 108.99 2daf s SER 6 Ca 0.04 -0.88 -0.08 0.00 0.48 0.00 0.00 55.95 55.51 2daf s SER 6 Cb -0.09 0.70 0.15 0.00 0.10 0.00 0.00 66.02 66.88 2daf s SER 6 CO 0.02 -1.34 0.67 -0.83 0.98 0.00 0.00 173.24 172.74 2daf s GLY 7 N -3.00 -0.75 -0.30 7.32 0.00 -1.26 -5.14 107.32 104.20 2daf s GLY 7 Ca 0.17 2.30 -0.14 0.00 0.00 0.00 0.00 44.72 47.04 2daf s GLY 7 CO 0.09 3.16 0.34 -0.86 0.00 0.00 0.00 173.10 175.84 2daf s GLN 8 N 2.86 3.82 0.06 2.90 -2.07 -1.26 -5.06 119.66 120.91 2daf s GLN 8 Ca 0.00 -0.20 0.02 0.00 -1.82 0.00 0.00 55.36 53.37 2daf s GLN 8 Cb -0.12 -3.72 -0.03 0.00 -1.09 0.00 0.00 33.01 28.05 2daf s GLN 8 CO -0.19 -0.37 -0.07 -2.00 -1.32 0.00 0.00 175.29 171.34 2daf s GLU 9 N 2.01 0.61 -0.02 9.60 2.56 -1.26 -5.08 118.70 127.12 2daf s GLU 9 Ca 0.13 -0.93 -0.20 0.00 0.00 0.00 0.00 54.97 53.96 2daf s GLU 9 Cb -0.16 -0.22 -0.11 0.00 2.00 0.00 0.00 34.13 35.63 2daf s GLU 9 CO 0.11 0.02 0.85 0.77 -0.56 0.00 0.00 175.26 176.44 2daf h SER 10 N 4.01 -0.59 -1.50 -1.70 0.02 -2.10 -3.45 113.55 108.24 2daf h SER 10 Ca -0.35 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.92 2daf h SER 10 Cb 1.19 0.15 0.09 0.00 0.14 0.00 0.00 62.40 63.97 2daf h SER 10 CO 0.49 -0.18 -0.08 0.52 -1.14 0.00 0.00 176.83 176.43 2daf n VAL 11 N -5.24 1.30 -5.08 2.27 0.31 -1.26 -4.97 118.33 105.66 2daf n VAL 11 Ca -0.09 -0.32 -0.30 0.00 -0.01 0.00 0.00 64.34 63.62 2daf n VAL 11 Cb 0.28 -0.40 -0.17 0.00 -0.91 0.00 0.00 33.84 32.65 2daf n VAL 11 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2daf s GLU 12 N -0.71 2.57 -0.89 5.55 1.03 -1.26 -5.07 118.70 119.92 2daf s GLU 12 Ca 0.71 -0.77 -0.01 0.00 0.03 0.00 0.00 54.97 54.93 2daf s GLU 12 Cb -0.94 -2.03 0.25 0.00 -0.80 0.00 0.00 34.13 30.62 2daf s GLU 12 CO 0.56 0.20 0.98 -0.25 -1.33 0.00 0.00 175.26 175.42 2daf n ASP 13 N 3.41 4.74 -3.20 0.83 8.00 -1.26 -4.75 116.55 124.32 2daf n ASP 13 Ca -0.19 -3.29 -0.16 0.00 0.71 0.00 0.00 54.79 51.86 2daf n ASP 13 Cb 0.53 -1.02 0.08 0.00 -0.02 0.00 0.00 41.12 40.68 2daf n ASP 13 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2daf n SER 14 N 1.66 -2.31 -4.83 -2.24 7.64 -1.26 -4.86 113.62 107.41 2daf n SER 14 Ca 0.25 -0.55 -0.36 0.00 1.01 0.00 0.00 58.87 59.22 2daf n SER 14 Cb 0.37 -4.67 -0.06 0.00 -1.01 0.00 0.00 64.21 58.85 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 -5.98 4.36 -0.02 -3.43 1.43 -1.26 -3.46 118.68 110.32 2daf s LEU 15 Ca 0.04 1.19 0.05 0.00 -1.03 0.00 0.00 54.13 54.37 2daf s LEU 15 Cb -0.02 -3.31 -0.01 0.00 0.03 0.00 0.00 46.19 42.88 2daf s LEU 15 CO 0.66 0.10 -0.15 0.00 0.23 0.00 0.00 176.35 177.19 2daf s ALA 16 N -1.44 1.29 -0.44 4.21 0.00 -0.59 -0.85 121.76 123.94 2daf s ALA 16 Ca 0.38 -0.64 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 2daf s ALA 16 Cb -0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 2daf s ALA 16 CO 0.20 0.29 1.81 0.99 0.00 0.00 0.00 175.76 179.05 2daf s THR 17 N -0.25 3.45 -0.33 0.00 2.01 -0.09 -3.11 115.64 117.32 2daf s THR 17 Ca 0.04 0.40 -0.07 0.00 0.31 0.00 0.00 61.69 62.36 2daf s THR 17 Cb -0.07 -3.77 0.03 0.00 0.01 0.00 0.00 72.50 68.69 2daf s THR 17 CO -0.00 -0.61 0.11 -0.69 -0.69 0.00 0.00 174.62 172.74 2daf s VAL 18 N 7.75 3.94 0.28 3.82 1.01 -1.24 -2.23 120.40 133.73 2daf s VAL 18 Ca 0.74 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 2daf s VAL 18 Cb -0.18 -3.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.96 2daf s VAL 18 CO 0.29 -0.08 0.78 -0.54 0.00 0.00 0.00 175.10 175.54 2daf s LYS 19 N 1.46 4.23 -0.11 2.72 1.02 -1.20 -3.50 119.74 124.35 2daf s LYS 19 Ca 0.00 0.90 0.01 0.00 0.02 0.00 0.00 55.97 56.91 2daf s LYS 19 Cb -0.19 -2.69 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2daf s LYS 19 CO 0.03 0.28 -0.14 0.08 -0.92 0.00 0.00 175.35 174.68 2daf s VAL 20 N -1.72 1.46 -0.13 3.17 1.01 1.00 -2.97 120.40 122.23 2daf s VAL 20 Ca 0.49 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2daf s VAL 20 Cb -0.15 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.89 2daf s VAL 20 CO 0.20 0.43 -0.21 -0.69 0.00 0.00 0.00 175.10 174.83 2daf s VAL 21 N 1.12 2.21 -0.07 2.92 1.01 -1.00 0.30 120.40 126.89 2daf s VAL 21 Ca -0.04 -0.94 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2daf s VAL 21 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 2daf s VAL 21 CO -0.04 0.55 1.11 -0.76 0.00 0.00 0.00 175.10 175.96 2daf s LEU 22 N 0.66 4.27 -0.04 3.92 1.43 -0.27 -1.28 118.68 127.37 2daf s LEU 22 Ca -0.10 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.51 2daf s LEU 22 Cb -0.16 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 2daf s LEU 22 CO 0.02 -0.51 0.73 0.40 0.23 0.00 0.00 176.35 177.22 2daf h ILE 23 N 5.03 0.23 0.00 -0.59 1.08 -1.62 1.20 117.51 122.85 2daf h ILE 23 Ca -0.33 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.40 2daf h ILE 23 Cb 1.16 0.38 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2daf h ILE 23 CO 0.86 0.06 -0.13 1.55 -0.69 0.00 0.00 178.15 179.80 2daf h PRO 24 N -1.06 0.00 0.00 2.37 0.13 -1.93 -3.34 132.00 128.16 2daf h PRO 24 Ca -0.05 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 2daf h PRO 24 Cb 0.46 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 2daf h PRO 24 CO 0.08 0.13 -1.17 0.28 -0.23 0.00 0.00 178.00 177.09 2daf n VAL 25 N -3.31 1.47 0.00 1.56 0.31 -1.24 -5.03 118.33 112.08 2daf n VAL 25 Ca -0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2daf n VAL 25 Cb 0.35 -2.22 0.00 0.00 -0.91 0.00 0.00 33.84 31.06 2daf n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2daf n GLY 26 N 1.57 0.52 3.79 2.92 0.00 0.41 -4.99 105.19 109.42 2daf n GLY 26 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.86 4.11 -0.10 1.61 0.74 -1.26 -4.63 119.66 119.28 2daf s GLN 27 Ca 0.00 1.42 -0.04 0.00 0.05 0.00 0.00 55.36 56.79 2daf s GLN 27 Cb 0.00 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.66 2daf s GLN 27 CO 0.00 -0.17 0.07 -1.21 -0.55 0.00 0.00 175.29 173.43 2daf s GLU 28 N -2.72 3.22 -0.01 1.67 2.02 -1.26 -1.12 118.70 120.50 2daf s GLU 28 Ca 0.60 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.33 2daf s GLU 28 Cb -0.19 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.05 2daf s GLU 28 CO 0.24 0.74 -0.04 0.42 0.02 0.00 0.00 175.26 176.64 2daf s ILE 29 N -0.97 0.35 -0.13 -1.63 1.01 0.15 -4.92 121.20 115.06 2daf s ILE 29 Ca 0.15 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.67 2daf s ILE 29 Cb -0.12 -0.33 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 2daf s ILE 29 CO 0.04 0.12 -0.18 -0.69 0.00 0.00 0.00 174.94 174.23 2daf s VAL 30 N 0.19 2.54 -0.21 2.92 1.01 -1.26 -0.00 120.40 125.59 2daf s VAL 30 Ca -0.02 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 2daf s VAL 30 Cb -0.05 -2.04 0.06 0.00 0.00 0.00 0.00 36.38 34.35 2daf s VAL 30 CO -0.00 0.54 0.54 -0.51 0.00 0.00 0.00 175.10 175.66 2daf s ILE 31 N 0.49 -0.01 0.19 2.22 2.07 -1.23 -5.04 121.20 119.89 2daf s ILE 31 Ca -0.12 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 58.84 2daf s ILE 31 Cb -0.16 -0.77 -0.09 0.00 0.13 0.00 0.00 42.46 41.57 2daf s ILE 31 CO 0.05 0.01 1.31 -2.16 -1.91 0.00 0.00 174.94 172.24 2daf s PRO 32 N 0.84 4.39 0.05 3.50 0.04 -1.26 -3.66 135.00 138.89 2daf s PRO 32 Ca -0.04 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2daf s PRO 32 Cb -0.05 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2daf s PRO 32 CO -0.07 -0.26 -0.06 0.12 0.04 0.00 0.00 177.00 176.78 2daf s PHE 33 N 0.19 0.62 -0.05 0.56 5.36 -1.18 -4.99 117.98 118.49 2daf s PHE 33 Ca 0.57 -0.73 -0.22 0.00 -0.96 0.00 0.00 56.93 55.59 2daf s PHE 33 Cb -0.36 -0.39 -0.04 0.00 -0.34 0.00 0.00 43.02 41.89 2daf s PHE 33 CO 0.37 -0.18 0.65 0.15 -1.46 0.00 0.00 175.22 174.76 2daf s LYS 34 N -2.61 4.40 0.45 10.12 3.01 -1.26 -1.54 119.74 132.31 2daf s LYS 34 Ca -0.02 0.81 0.25 0.00 -1.01 0.00 0.00 55.97 56.00 2daf s LYS 34 Cb -0.02 -3.41 0.82 0.00 -1.01 0.00 0.00 37.83 34.20 2daf s LYS 34 CO -0.03 0.17 1.78 -0.39 0.51 0.00 0.00 175.35 177.38 2daf h VAL 35 N 4.55 0.36 0.00 3.17 -1.51 -1.89 -3.01 116.25 117.92 2daf h VAL 35 Ca -0.42 -1.09 -0.17 0.00 -1.23 0.00 0.00 66.70 63.79 2daf h VAL 35 Cb 1.20 1.83 -0.03 0.00 -2.13 0.00 0.00 31.29 32.16 2daf h VAL 35 CO 0.74 0.16 -1.09 -2.24 -1.23 0.00 0.00 177.57 173.91 2daf h ASP 36 N 0.00 0.00 -3.43 4.19 3.04 -1.93 -2.73 116.42 115.57 2daf h ASP 36 Ca -0.00 0.00 -0.54 0.00 -3.24 0.00 0.00 57.03 53.25 2daf h ASP 36 Cb 0.82 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.07 2daf h ASP 36 CO 0.02 0.68 0.25 -0.89 -2.04 0.00 0.00 179.24 177.26 2daf s THR 37 N -2.86 4.83 0.98 1.15 2.01 -1.14 -4.93 115.64 115.69 2daf s THR 37 Ca -0.00 1.82 -0.15 0.00 0.31 0.00 0.00 61.69 63.67 2daf s THR 37 Cb 0.08 -4.21 0.09 0.00 0.01 0.00 0.00 72.50 68.48 2daf s THR 37 CO 0.79 0.25 -0.01 2.30 -0.69 0.00 0.00 174.62 177.26 2daf n ILE 38 N 3.47 0.00 0.05 1.82 -5.35 -1.26 -4.56 119.36 113.52 2daf n ILE 38 Ca 0.02 -0.09 -0.08 0.00 -0.27 0.00 0.00 62.75 62.33 2daf n ILE 38 Cb 0.51 -0.41 -0.13 0.00 -1.74 0.00 0.00 39.64 37.87 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 -2.28 0.03 -0.61 7.28 3.38 -1.61 -3.36 115.31 118.14 2daf h LEU 39 Ca -0.30 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2daf h LEU 39 Cb 0.90 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.54 2daf h LEU 39 CO 0.20 1.03 -0.50 0.50 0.09 0.00 0.00 178.44 179.76 2daf h LYS 40 N 0.01 -0.23 -0.75 1.13 3.64 -1.81 0.16 116.57 118.72 2daf h LYS 40 Ca -0.08 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.39 2daf h LYS 40 Cb 1.84 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 33.61 2daf h LYS 40 CO 0.12 -0.15 -0.42 0.66 -2.27 0.00 0.00 179.45 177.39 2daf n TYR 41 N -5.37 -0.28 -0.23 1.91 4.02 -1.26 0.11 117.16 116.05 2daf n TYR 41 Ca 0.00 0.93 -0.08 0.00 -0.01 0.00 0.00 57.90 58.75 2daf n TYR 41 Cb 0.34 -0.59 0.04 0.00 -0.02 0.00 0.00 39.34 39.10 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 0.96 -0.01 7.72 5.85 -1.50 -3.09 115.31 125.25 2daf h LEU 42 Ca 0.14 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2daf h LEU 42 Cb 0.32 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 2daf h LEU 42 CO -0.71 0.93 -0.02 0.50 -0.34 0.00 0.00 178.44 178.81 2daf h LYS 43 N 0.95 -0.01 -0.88 1.25 3.64 0.28 -1.83 116.57 119.96 2daf h LYS 43 Ca 0.21 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.79 2daf h LYS 43 Cb 0.33 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 31.99 2daf h LYS 43 CO -0.00 -0.01 -0.08 0.22 -2.27 0.00 0.00 179.45 177.31 2daf h ASP 44 N -0.02 -0.57 -1.07 4.20 1.82 -1.27 0.52 116.42 120.03 2daf h ASP 44 Ca 0.00 0.25 0.41 0.00 -0.39 0.00 0.00 57.03 57.30 2daf h ASP 44 Cb 0.02 0.47 -0.17 0.00 0.68 0.00 0.00 39.33 40.33 2daf h ASP 44 CO -0.02 -0.28 0.61 -0.74 -1.61 0.00 0.00 179.24 177.21 2daf h HIS 45 N 0.04 0.79 0.04 0.28 2.76 -1.24 0.21 115.15 118.02 2daf h HIS 45 Ca 0.48 0.04 -0.21 0.00 -2.20 0.00 0.00 60.37 58.48 2daf h HIS 45 Cb 0.85 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.61 2daf h HIS 45 CO -0.55 -0.38 -1.09 0.74 -1.30 0.00 0.00 177.93 175.35 2daf h PHE 46 N 0.07 0.17 -0.64 5.26 -1.00 0.16 -3.14 116.94 117.82 2daf h PHE 46 Ca 0.83 -0.13 0.13 0.00 2.81 0.00 0.00 57.97 61.62 2daf h PHE 46 Cb 2.23 -0.01 -0.12 0.00 3.61 0.00 0.00 35.95 41.67 2daf h PHE 46 CO -0.01 1.43 -0.07 0.66 -1.61 0.00 0.00 178.31 178.71 2daf h SER 47 N -0.72 -0.43 0.33 2.17 4.64 0.28 0.40 113.55 120.23 2daf h SER 47 Ca -0.27 0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2daf h SER 47 Cb 1.43 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 2daf h SER 47 CO -0.07 -0.17 -0.16 1.12 -0.87 0.00 0.00 176.83 176.69 2daf h HIS 48 N 0.06 -0.41 0.16 4.77 2.07 -0.84 0.39 115.15 121.34 2daf h HIS 48 Ca 0.33 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.84 2daf h HIS 48 Cb 0.53 0.14 -0.03 0.00 2.57 0.00 0.00 27.41 30.62 2daf h HIS 48 CO -0.44 -0.10 -0.38 1.25 -3.07 0.00 0.00 177.93 175.19 2daf h LEU 49 N -0.74 -1.11 -2.03 6.12 7.12 -1.33 -0.49 115.31 122.85 2daf h LEU 49 Ca -0.05 0.11 0.10 0.00 0.13 0.00 0.00 57.88 58.18 2daf h LEU 49 Cb 0.50 0.40 -0.01 0.00 -0.53 0.00 0.00 40.66 41.01 2daf h LEU 49 CO 0.07 -0.42 0.39 -0.07 -0.13 0.00 0.00 178.44 178.28 2daf h LEU 50 N -0.59 0.00 0.00 2.25 3.38 -0.32 -3.45 115.31 116.58 2daf h LEU 50 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2daf h LEU 50 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2daf h LEU 50 CO -0.16 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.98 2daf n GLY 51 N -1.47 0.87 3.07 0.83 0.00 -0.19 -4.95 105.19 103.34 2daf n GLY 51 Ca 0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 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 0.48 0.38 -0.61 -4.36 0.13 -5.00 121.20 110.21 2daf s ILE 52 Ca 0.00 -1.25 -0.26 0.00 -0.26 0.00 0.00 60.65 58.88 2daf s ILE 52 Cb 0.00 -0.80 -0.09 0.00 1.25 0.00 0.00 42.46 42.82 2daf s ILE 52 CO 0.00 -0.53 1.20 -2.16 0.24 0.00 0.00 174.94 173.69 2daf s PRO 53 N -2.10 4.13 0.00 0.37 0.04 -1.26 -4.03 135.00 132.14 2daf s PRO 53 Ca -0.06 1.92 0.16 0.00 0.04 0.00 0.00 61.00 63.06 2daf s PRO 53 Cb -0.06 -2.77 0.77 0.00 0.04 0.00 0.00 34.50 32.48 2daf s PRO 53 CO -0.01 -0.28 1.50 -2.39 0.04 0.00 0.00 177.00 175.85 2daf n HIS 54 N 0.26 0.00 -0.16 0.56 1.44 -1.26 -3.13 115.22 112.93 2daf n HIS 54 Ca 0.03 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.67 2daf n HIS 54 Cb 0.45 -0.38 0.01 0.00 0.12 0.00 0.00 29.99 30.20 2daf n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2daf h SER 55 N 0.00 0.58 0.66 4.39 0.87 -2.02 -3.03 113.55 115.00 2daf h SER 55 Ca 0.00 -0.07 -0.27 0.00 -1.23 0.00 0.00 61.79 60.22 2daf h SER 55 Cb 0.21 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2daf h SER 55 CO 0.00 0.48 -1.38 -0.37 -0.53 0.00 0.00 176.83 175.03 2daf h VAL 56 N 0.63 1.29 -3.68 2.23 -1.51 -1.95 -3.46 116.25 109.78 2daf h VAL 56 Ca 0.17 -3.00 -0.51 0.00 -1.23 0.00 0.00 66.70 62.13 2daf h VAL 56 Cb 0.02 2.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2daf h VAL 56 CO -0.03 0.79 0.42 -0.22 -1.23 0.00 0.00 177.57 177.30 2daf s LEU 57 N -6.66 4.56 0.10 4.19 2.96 -1.14 -0.20 118.68 122.48 2daf s LEU 57 Ca -0.04 2.05 -0.01 0.00 -0.22 0.00 0.00 54.13 55.91 2daf s LEU 57 Cb 0.08 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 2daf s LEU 57 CO 0.83 -0.06 0.02 -1.10 -1.32 0.00 0.00 176.35 174.72 2daf s GLN 58 N -0.84 0.81 0.09 1.98 -1.52 -0.53 -4.82 119.66 114.84 2daf s GLN 58 Ca 0.45 -1.36 0.08 0.00 -1.95 0.00 0.00 55.36 52.58 2daf s GLN 58 Cb -0.28 0.19 -0.04 0.00 -0.22 0.00 0.00 33.01 32.66 2daf s GLN 58 CO 0.35 -0.19 -0.17 0.42 -0.25 0.00 0.00 175.29 175.45 2daf s ILE 59 N -3.97 2.90 -0.06 1.08 1.01 -1.26 -2.74 121.20 118.17 2daf s ILE 59 Ca 0.17 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.52 2daf s ILE 59 Cb 0.08 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 2daf s ILE 59 CO -0.03 0.18 -0.23 -0.60 0.00 0.00 0.00 174.94 174.26 2daf s ARG 60 N -1.91 2.45 -0.16 2.79 3.52 -0.30 -3.21 118.95 122.13 2daf s ARG 60 Ca 0.17 -0.85 -0.07 0.00 -0.13 0.00 0.00 55.73 54.86 2daf s ARG 60 Cb -0.11 -2.06 0.07 0.00 -1.56 0.00 0.00 34.95 31.29 2daf s ARG 60 CO 0.09 0.33 0.35 -0.47 -0.81 0.00 0.00 175.30 174.79 2daf s TYR 61 N -0.07 -0.56 -1.47 5.12 5.04 -0.50 -2.27 117.35 122.65 2daf s TYR 61 Ca -0.05 1.18 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 2daf s TYR 61 Cb -0.14 0.17 0.06 0.00 0.35 0.00 0.00 41.96 42.40 2daf s TYR 61 CO 0.04 -0.36 0.88 -1.13 -1.34 0.00 0.00 175.55 173.64 2daf n SER 62 N 4.77 -3.61 -1.35 4.32 3.41 -1.26 -0.17 113.62 119.73 2daf n SER 62 Ca -0.16 -0.80 -0.18 0.00 -0.26 0.00 0.00 58.87 57.47 2daf n SER 62 Cb 0.52 -3.88 -0.08 0.00 -0.26 0.00 0.00 64.21 60.52 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daf n GLY 63 N -1.67 1.71 3.50 5.00 0.00 -1.26 -4.97 105.19 107.50 2daf n GLY 63 Ca -0.07 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2daf n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2daf s LYS 64 N -3.48 1.78 -0.77 1.61 1.02 0.76 -5.09 119.74 115.56 2daf s LYS 64 Ca 0.00 -1.66 -0.12 0.00 0.02 0.00 0.00 55.97 54.22 2daf s LYS 64 Cb 0.00 -1.86 0.20 0.00 -0.52 0.00 0.00 37.83 35.65 2daf s LYS 64 CO 0.00 0.35 0.69 0.42 -0.92 0.00 0.00 175.35 175.89 2daf s ILE 65 N -2.33 5.21 0.99 2.17 -1.09 -1.26 -1.40 121.20 123.48 2daf s ILE 65 Ca 0.29 -2.53 -0.12 0.00 -2.23 0.00 0.00 60.65 56.06 2daf s ILE 65 Cb -0.06 -4.25 0.14 0.00 -1.58 0.00 0.00 42.46 36.72 2daf s ILE 65 CO 0.15 -0.99 0.87 0.18 -1.23 0.00 0.00 174.94 173.92 2daf n LEU 66 N 3.93 1.26 0.00 2.97 4.77 -1.20 -5.04 117.00 123.70 2daf n LEU 66 Ca 0.11 0.26 -0.18 0.00 -0.03 0.00 0.00 56.01 56.17 2daf n LEU 66 Cb 0.45 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.15 2daf n LEU 66 CO 0.34 -2.78 -0.13 0.29 -1.33 0.00 0.00 177.39 173.79 2daf n LYS 67 N -3.63 1.02 0.12 3.23 5.02 -1.26 -4.65 118.16 118.02 2daf n LYS 67 Ca 0.08 -2.24 -0.24 0.00 -2.02 0.00 0.00 58.31 53.90 2daf n LYS 67 Cb 0.53 0.84 -0.16 0.00 -0.02 0.00 0.00 35.03 36.23 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 0.86 0.76 1.01 4.39 -1.07 -1.96 -3.26 115.58 116.31 2daf h ASN 68 Ca -0.24 -0.93 0.00 0.00 0.07 0.00 0.00 56.30 55.21 2daf h ASN 68 Cb 0.78 -0.25 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 2daf h ASN 68 CO 0.39 1.65 0.00 0.59 0.07 0.00 0.00 177.43 180.13 2daf n ASN 69 N -3.80 0.58 -4.80 6.14 4.13 -1.26 -3.70 115.26 112.55 2daf n ASN 69 Ca -0.17 0.60 -0.34 0.00 1.68 0.00 0.00 54.58 56.34 2daf n ASN 69 Cb 1.05 -0.74 -0.05 0.00 -1.54 0.00 0.00 39.78 38.50 2daf n ASN 69 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2daf s GLU 70 N -3.17 4.01 0.06 3.52 0.41 -1.23 -4.94 118.70 117.35 2daf s GLU 70 Ca 0.08 1.34 0.07 0.00 -0.41 0.00 0.00 54.97 56.05 2daf s GLU 70 Cb 0.11 -2.23 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 2daf s GLU 70 CO 0.47 -0.25 -0.20 0.99 -0.49 0.00 0.00 175.26 175.78 2daf s THR 71 N -1.94 1.65 0.25 3.63 2.01 -1.26 -2.73 115.64 117.24 2daf s THR 71 Ca 0.63 -1.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.32 2daf s THR 71 Cb -0.16 -1.45 0.22 0.00 0.01 0.00 0.00 72.50 71.11 2daf s THR 71 CO 0.20 0.13 1.75 -0.07 -0.69 0.00 0.00 174.62 175.94 2daf h LEU 72 N 4.67 0.40 -0.87 4.42 -0.00 -1.80 0.38 115.31 122.50 2daf h LEU 72 Ca -0.43 0.09 -0.11 0.00 -0.00 0.00 0.00 57.88 57.43 2daf h LEU 72 Cb 1.17 0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2daf h LEU 72 CO 0.43 0.17 -0.40 -0.37 -0.00 0.00 0.00 178.44 178.27 2daf h VAL 73 N 0.53 1.31 -0.12 1.22 -1.51 -1.63 -1.11 116.25 114.93 2daf h VAL 73 Ca 0.42 -1.52 -0.04 0.00 -1.23 0.00 0.00 66.70 64.33 2daf h VAL 73 Cb 0.59 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 2daf h VAL 73 CO -0.37 0.46 -0.09 1.56 -1.23 0.00 0.00 177.57 177.90 2daf h GLN 74 N 0.28 0.18 0.05 5.19 1.08 -1.25 -2.61 115.11 118.03 2daf h GLN 74 Ca 0.03 -0.03 -0.27 0.00 -1.45 0.00 0.00 58.65 56.92 2daf h GLN 74 Cb 0.83 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.20 2daf h GLN 74 CO 0.07 0.29 -1.44 0.45 -0.95 0.00 0.00 178.83 177.25 2daf h HIS 75 N 0.17 0.19 0.00 2.96 3.86 -1.11 -3.49 115.15 117.74 2daf h HIS 75 Ca 0.04 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2daf h HIS 75 Cb 0.28 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2daf h HIS 75 CO 0.00 1.17 0.00 0.41 0.86 0.00 0.00 177.93 180.37 2daf n GLY 76 N 1.55 0.33 3.05 2.45 0.00 -0.75 -5.13 105.19 106.69 2daf n GLY 76 Ca -0.12 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 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 1.46 0.28 1.61 1.01 -0.50 -4.97 120.40 119.30 2daf s VAL 77 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2daf s VAL 77 Cb 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2daf s VAL 77 CO 0.00 0.43 0.49 -1.59 0.00 0.00 0.00 175.10 174.43 2daf s LYS 78 N 1.02 3.53 0.62 2.72 -2.85 -1.26 -4.10 119.74 119.41 2daf s LYS 78 Ca -0.06 -0.28 -0.17 0.00 -1.00 0.00 0.00 55.97 54.46 2daf s LYS 78 Cb -0.15 -2.73 -0.02 0.00 -2.06 0.00 0.00 37.83 32.87 2daf s LYS 78 CO -0.02 0.26 1.12 -1.25 0.10 0.00 0.00 175.35 175.56 2daf s PRO 79 N -3.81 3.01 -1.19 1.78 0.04 -1.26 -3.63 135.00 129.94 2daf s PRO 79 Ca 0.40 1.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 2daf s PRO 79 Cb -0.10 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2daf s PRO 79 CO 0.32 -1.10 0.73 1.04 0.04 0.00 0.00 177.00 178.03 2daf n GLN 80 N -2.00 -5.24 -4.49 4.56 6.02 -0.03 -4.94 117.38 111.26 2daf n GLN 80 Ca 0.11 0.71 -0.24 0.00 -0.01 0.00 0.00 57.00 57.57 2daf n GLN 80 Cb 0.52 -5.26 -0.10 0.00 1.02 0.00 0.00 30.24 26.41 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2daf s GLU 81 N -5.77 1.71 -0.19 -1.09 -1.05 -1.24 -4.90 118.70 106.16 2daf s GLU 81 Ca 0.36 -1.86 -0.03 0.00 -0.15 0.00 0.00 54.97 53.30 2daf s GLU 81 Cb -0.16 -1.55 -0.01 0.00 -0.44 0.00 0.00 34.13 31.97 2daf s GLU 81 CO 0.45 0.15 -0.07 0.42 0.95 0.00 0.00 175.26 177.15 2daf s ILE 82 N -2.71 3.26 0.46 1.83 1.01 -1.26 -0.92 121.20 122.88 2daf s ILE 82 Ca 0.31 -0.55 0.03 0.00 0.00 0.00 0.00 60.65 60.44 2daf s ILE 82 Cb 0.01 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2daf s ILE 82 CO 0.15 0.46 0.03 0.68 0.00 0.00 0.00 174.94 176.25 2daf s VAL 83 N 1.13 1.22 -0.16 2.92 -7.23 -0.95 -5.05 120.40 112.28 2daf s VAL 83 Ca 0.01 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 2daf s VAL 83 Cb -0.15 -2.39 0.08 0.00 0.56 0.00 0.00 36.38 34.48 2daf s VAL 83 CO -0.01 0.00 0.22 -1.58 -0.31 0.00 0.00 175.10 173.41 2daf s GLN 84 N -3.82 0.15 0.29 4.82 0.74 -1.26 -3.22 119.66 117.36 2daf s GLN 84 Ca 0.16 0.39 0.09 0.00 0.05 0.00 0.00 55.36 56.05 2daf s GLN 84 Cb 0.04 -0.78 -0.06 0.00 1.10 0.00 0.00 33.01 33.31 2daf s GLN 84 CO 0.09 -0.51 -0.13 0.14 -0.55 0.00 0.00 175.29 174.33 2daf s VAL 85 N 2.34 2.09 -0.06 1.34 -7.23 -1.16 -4.76 120.40 112.96 2daf s VAL 85 Ca 0.05 -2.25 0.05 0.00 -1.81 0.00 0.00 61.98 58.02 2daf s VAL 85 Cb -0.14 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.40 2daf s VAL 85 CO -0.10 -0.35 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.51 2daf s GLU 86 N -3.61 2.36 -0.01 4.82 8.01 -0.96 -2.37 118.70 126.94 2daf s GLU 86 Ca 0.29 -0.78 0.01 0.00 0.01 0.00 0.00 54.97 54.50 2daf s GLU 86 Cb -0.00 -1.96 -0.04 0.00 -4.31 0.00 0.00 34.13 27.82 2daf s GLU 86 CO 0.13 0.28 0.02 0.42 0.01 0.00 0.00 175.26 176.12 2daf s ILE 87 N 0.04 4.28 0.28 -1.63 1.01 -0.40 -1.15 121.20 123.63 2daf s ILE 87 Ca -0.07 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 2daf s ILE 87 Cb -0.14 -2.92 0.05 0.00 0.01 0.00 0.00 42.46 39.46 2daf s ILE 87 CO 0.04 0.38 0.83 0.72 0.00 0.00 0.00 174.94 176.92 2daf s PHE 88 N -1.10 -0.03 -0.12 3.97 -0.12 -1.11 -1.50 117.98 117.98 2daf s PHE 88 Ca 0.20 -0.48 0.03 0.00 -0.05 0.00 0.00 56.93 56.63 2daf s PHE 88 Cb -0.12 0.74 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 2daf s PHE 88 CO 0.11 -1.25 -0.22 0.45 -0.05 0.00 0.00 175.22 174.26 2daf s SER 89 N -3.05 3.20 0.27 1.98 0.15 -1.26 -1.46 113.70 113.53 2daf s SER 89 Ca 0.14 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.25 2daf s SER 89 Cb -0.04 -1.44 0.54 0.00 -1.71 0.00 0.00 66.02 63.36 2daf s SER 89 CO 0.08 0.14 1.81 0.71 1.20 0.00 0.00 173.24 177.17 2daf h THR 90 N 5.71 0.85 -2.99 6.45 1.35 -0.94 -3.29 112.91 120.05 2daf h THR 90 Ca -0.24 -0.29 -0.62 0.00 -0.55 0.00 0.00 66.41 64.71 2daf h THR 90 Cb 1.22 -0.08 -0.40 0.00 -1.73 0.00 0.00 68.15 67.16 2daf h THR 90 CO 0.50 0.16 -0.71 0.21 -0.25 0.00 0.00 175.52 175.43 2daf s ASN 91 N -5.59 3.75 0.16 5.36 2.47 -1.26 -4.94 114.94 114.89 2daf s ASN 91 Ca -0.12 -3.04 0.20 0.00 0.42 0.00 0.00 52.86 50.31 2daf s ASN 91 Cb 0.22 -1.20 0.84 0.00 -1.45 0.00 0.00 41.25 39.65 2daf s ASN 91 CO 0.80 -0.20 1.61 -0.81 -3.72 0.00 0.00 177.10 174.77 2daf n PRO 92 N 3.00 0.12 0.15 0.43 -0.04 -1.24 -1.78 135.00 135.63 2daf n PRO 92 Ca 0.13 0.36 0.01 0.00 -0.04 0.00 0.00 63.50 63.96 2daf n PRO 92 Cb 0.36 -1.73 0.19 0.00 -0.04 0.00 0.00 33.50 32.28 2daf n PRO 92 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2daf h ASP 93 N 0.00 0.00 0.00 3.54 3.32 -1.93 -3.02 116.42 118.33 2daf h ASP 93 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 2daf h ASP 93 Cb 0.31 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 2daf h ASP 93 CO 0.00 0.57 -2.10 0.18 -1.72 0.00 0.00 179.24 176.16 2daf n LEU 94 N -3.67 1.73 -3.72 1.55 4.77 -1.04 -4.83 117.00 111.79 2daf n LEU 94 Ca -0.01 0.30 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 2daf n LEU 94 Cb 0.61 -0.71 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 2daf n LEU 94 CO 0.41 0.36 -0.09 -1.22 -1.33 0.00 0.00 177.39 175.52 2daf n TYR 95 N -4.13 2.28 -1.63 -1.77 4.02 -0.73 -5.11 117.16 110.09 2daf n TYR 95 Ca -0.42 -4.06 -0.33 0.00 -0.01 0.00 0.00 57.90 53.09 2daf n TYR 95 Cb 0.77 -0.42 0.06 0.00 -0.02 0.00 0.00 39.34 39.73 2daf n TYR 95 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2daf s PRO 96 N -1.24 2.67 0.22 -0.72 0.04 -1.14 -4.46 135.00 130.37 2daf s PRO 96 Ca 0.29 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 2daf s PRO 96 Cb 0.00 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 2daf s PRO 96 CO -0.16 -1.35 0.51 0.08 0.04 0.00 0.00 177.00 176.12 2daf s VAL 97 N -2.48 5.01 0.21 -0.36 1.01 -1.26 -5.01 120.40 117.52 2daf s VAL 97 Ca 0.65 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.90 2daf s VAL 97 Cb -0.20 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 2daf s VAL 97 CO 0.45 -0.11 0.04 0.00 0.00 0.00 0.00 175.10 175.48 2daf s ARG 98 N -2.97 1.24 0.51 2.72 1.70 -1.26 -4.87 118.95 116.01 2daf s ARG 98 Ca 0.45 -1.63 -0.09 0.00 -0.47 0.00 0.00 55.73 53.99 2daf s ARG 98 Cb -0.11 -0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 33.94 2daf s ARG 98 CO 0.24 -0.19 0.87 -0.98 -1.08 0.00 0.00 175.30 174.16 2daf s ARG 99 N -3.96 3.65 -0.48 3.89 1.70 -1.26 -5.04 118.95 117.45 2daf s ARG 99 Ca 0.30 0.49 0.03 0.00 -0.47 0.00 0.00 55.73 56.07 2daf s ARG 99 Cb 0.07 -2.27 0.13 0.00 -0.57 0.00 0.00 34.95 32.31 2daf s ARG 99 CO 0.08 -0.28 0.26 0.42 -1.08 0.00 0.00 175.30 174.70 2daf s ILE 100 N -2.77 1.95 0.18 4.99 1.01 -1.26 -5.09 121.20 120.21 2daf s ILE 100 Ca 0.51 -2.94 -0.22 0.00 0.00 0.00 0.00 60.65 58.00 2daf s ILE 100 Cb -0.10 -2.36 -0.14 0.00 0.01 0.00 0.00 42.46 39.87 2daf s ILE 100 CO 0.43 -0.86 0.38 -0.67 0.00 0.00 0.00 174.94 174.23 2daf n ASP 101 N 3.30 -1.14 0.00 3.58 2.03 -1.26 -4.86 116.55 118.21 2daf n ASP 101 Ca 0.07 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.27 2daf n ASP 101 Cb 0.34 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2daf n GLY 102 N 1.64 1.41 2.69 0.27 0.00 -1.26 -5.14 105.19 104.80 2daf n GLY 102 Ca 0.14 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.10 2daf n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2daf s LEU 103 N 0.00 0.13 0.28 0.99 2.96 -1.26 -5.14 118.68 116.64 2daf s LEU 103 Ca 0.00 -0.15 -0.17 0.00 -0.22 0.00 0.00 54.13 53.59 2daf s LEU 103 Cb 0.00 -0.02 -0.09 0.00 0.50 0.00 0.00 46.19 46.58 2daf s LEU 103 CO 0.00 -0.29 0.73 0.42 -1.32 0.00 0.00 176.35 175.89 2daf s THR 104 N 2.20 4.63 -0.22 3.68 -4.23 -1.26 -4.91 115.64 115.53 2daf s THR 104 Ca 0.04 1.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.59 2daf s THR 104 Cb -0.14 -3.71 0.08 0.00 1.34 0.00 0.00 72.50 70.07 2daf s THR 104 CO -0.07 -0.03 0.11 1.51 -0.54 0.00 0.00 174.62 175.60 2daf s ASP 105 N -2.03 2.81 -0.08 3.99 -4.77 -1.26 -5.13 116.67 110.20 2daf s ASP 105 Ca 0.50 -0.88 0.03 0.00 -3.30 0.00 0.00 52.55 48.90 2daf s ASP 105 Cb -0.13 -0.27 -0.02 0.00 -1.09 0.00 0.00 42.92 41.42 2daf s ASP 105 CO 0.19 -0.39 -0.18 -0.69 0.70 0.00 0.00 175.17 174.80 2daf s VAL 106 N 2.13 2.67 -0.08 2.11 1.01 -1.26 -5.03 120.40 121.94 2daf s VAL 106 Ca 0.05 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2daf s VAL 106 Cb -0.16 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.20 2daf s VAL 106 CO -0.21 0.56 -0.04 -0.44 0.00 0.00 0.00 175.10 174.98 2daf s SER 107 N -0.12 1.75 0.00 3.32 0.01 -1.26 -4.97 113.70 112.42 2daf s SER 107 Ca -0.03 -0.18 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2daf s SER 107 Cb -0.14 -0.60 0.00 0.00 0.21 0.00 0.00 66.02 65.49 2daf s SER 107 CO 0.04 -0.14 0.00 1.67 0.41 0.00 0.00 173.24 175.21 2daf n GLN 108 N 4.92 0.79 -2.53 12.44 7.27 -1.26 -5.01 117.38 133.99 2daf n GLN 108 Ca -0.11 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.53 2daf n GLN 108 Cb 0.50 -0.69 -0.02 0.00 2.41 0.00 0.00 30.24 32.44 2daf n GLN 108 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 2daf s ILE 109 N -1.38 4.03 -0.10 1.69 2.07 -1.26 -4.94 121.20 121.31 2daf s ILE 109 Ca 0.00 0.98 -0.32 0.00 -1.41 0.00 0.00 60.65 59.90 2daf s ILE 109 Cb 0.00 -4.59 0.12 0.00 0.13 0.00 0.00 42.46 38.12 2daf s ILE 109 CO 0.00 -1.15 1.14 -0.51 -1.91 0.00 0.00 174.94 172.51 2daf s ILE 110 N 5.00 0.00 0.08 2.00 2.07 -1.26 -5.19 121.20 123.90 2daf s ILE 110 Ca 0.48 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 2daf s ILE 110 Cb -0.08 -1.22 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 2daf s ILE 110 CO 0.28 0.00 -0.03 0.28 -1.91 0.00 0.00 174.94 173.56 2daf s THR 111 N -2.62 0.39 0.01 4.00 -1.32 -1.26 -5.17 115.64 109.66 2daf s THR 111 Ca 0.09 -1.87 0.05 0.00 -1.21 0.00 0.00 61.69 58.75 2daf s THR 111 Cb -0.00 -1.64 -0.01 0.00 -1.51 0.00 0.00 72.50 69.34 2daf s THR 111 CO -0.05 -0.90 -0.15 0.54 -2.21 0.00 0.00 174.62 171.86 2daf s VAL 112 N -3.82 1.15 0.29 5.08 0.11 -1.26 -5.11 120.40 116.83 2daf s VAL 112 Ca 0.11 -0.74 -0.26 0.00 -2.93 0.00 0.00 61.98 58.15 2daf s VAL 112 Cb 0.07 -0.98 -0.15 0.00 -1.53 0.00 0.00 36.38 33.78 2daf s VAL 112 CO -0.07 0.23 0.56 -0.24 -3.33 0.00 0.00 175.10 172.25 2daf n SER 113 N 2.46 -0.91 -0.55 3.54 2.88 -1.26 -4.98 113.62 114.81 2daf n SER 113 Ca -0.15 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 2daf n SER 113 Cb 0.55 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2daf n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 114 N 1.85 5.90 1.61 0.46 0.00 -1.26 -5.16 105.19 108.59 2daf n GLY 114 Ca 0.14 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 -2.02 -3.83 1.61 -0.04 -1.26 -5.10 135.00 124.36 2daf n PRO 115 Ca 0.00 -0.80 -0.02 0.00 -0.04 0.00 0.00 63.50 62.64 2daf n PRO 115 Cb 0.00 -0.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.71 2daf n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2daf s SER 116 N -2.86 -0.04 0.50 3.54 0.01 -1.26 -5.17 113.70 108.41 2daf s SER 116 Ca 0.33 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 2daf s SER 116 Cb -0.03 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.60 2daf s SER 116 CO 0.25 -0.81 0.78 -0.55 0.41 0.00 0.00 173.24 173.32 2daf s SER 117 N -3.30 5.96 0.00 2.44 0.15 -1.26 -5.38 113.70 112.32 2daf s SER 117 Ca 0.20 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.54 2daf s SER 117 Cb -0.01 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 2daf s SER 117 CO 0.03 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.34