#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 -4.01 -4.82 1.61 7.64 -1.26 -4.96 113.62 107.82 2daf n SER 2 Ca 0.00 -0.80 -0.35 0.00 1.01 0.00 0.00 58.87 58.73 2daf n SER 2 Cb 0.00 -3.86 -0.07 0.00 -1.01 0.00 0.00 64.21 59.27 2daf n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2daf s SER 3 N -3.52 5.97 0.00 6.43 0.01 -1.26 -5.03 113.70 116.29 2daf s SER 3 Ca 0.53 0.31 0.00 0.00 1.31 0.00 0.00 55.95 58.11 2daf s SER 3 Cb -0.27 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2daf s SER 3 CO 0.83 0.36 0.00 0.61 0.41 0.00 0.00 173.24 175.45 2daf n GLY 4 N 1.73 0.22 3.18 3.44 0.00 -1.26 -5.00 105.19 107.50 2daf n GLY 4 Ca -0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 2daf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2daf s SER 5 N 0.75 5.79 -0.07 1.61 1.04 -1.26 -5.03 113.70 116.54 2daf s SER 5 Ca 0.00 -2.76 -0.03 0.00 0.48 0.00 0.00 55.95 53.65 2daf s SER 5 Cb 0.00 -1.99 0.04 0.00 0.10 0.00 0.00 66.02 64.17 2daf s SER 5 CO 0.00 -0.46 0.15 -0.44 0.98 0.00 0.00 173.24 173.47 2daf s SER 6 N 1.30 -0.11 0.00 7.02 0.01 -1.26 -5.10 113.70 115.56 2daf s SER 6 Ca 0.17 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2daf s SER 6 Cb -0.17 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.25 2daf s SER 6 CO -0.05 -0.15 0.21 0.61 0.41 0.00 0.00 173.24 174.27 2daf n GLY 7 N 4.22 -1.56 3.22 3.44 0.00 -1.26 -4.78 105.19 108.46 2daf n GLY 7 Ca -0.27 0.33 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2daf n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2daf s GLN 8 N -0.54 0.29 0.03 1.61 2.00 -1.26 -5.15 119.66 116.64 2daf s GLN 8 Ca 0.00 0.58 -0.23 0.00 -2.00 0.00 0.00 55.36 53.71 2daf s GLN 8 Cb 0.00 0.33 -0.05 0.00 0.80 0.00 0.00 33.01 34.09 2daf s GLN 8 CO 0.00 -0.26 0.69 -1.21 -0.50 0.00 0.00 175.29 174.01 2daf s GLU 9 N 2.80 4.42 -0.71 1.67 2.02 -1.26 -4.97 118.70 122.67 2daf s GLU 9 Ca 0.03 0.92 -0.02 0.00 0.02 0.00 0.00 54.97 55.92 2daf s GLU 9 Cb -0.10 -3.35 0.41 0.00 0.10 0.00 0.00 34.13 31.18 2daf s GLU 9 CO -0.15 0.32 2.05 -1.13 0.02 0.00 0.00 175.26 176.38 2daf n SER 10 N 2.75 7.60 -4.04 -0.19 3.41 -1.26 -4.91 113.62 116.98 2daf n SER 10 Ca -0.04 -3.77 -0.24 0.00 -0.26 0.00 0.00 58.87 54.55 2daf n SER 10 Cb 0.50 -1.01 -0.16 0.00 -0.26 0.00 0.00 64.21 63.28 2daf n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2daf s VAL 11 N -4.77 1.16 -0.28 -3.33 0.11 -1.26 -5.03 120.40 107.00 2daf s VAL 11 Ca 0.60 -0.51 0.11 0.00 -2.93 0.00 0.00 61.98 59.24 2daf s VAL 11 Cb 0.48 -1.04 0.47 0.00 -1.53 0.00 0.00 36.38 34.75 2daf s VAL 11 CO -0.13 0.36 1.17 -1.84 -3.33 0.00 0.00 175.10 171.33 2daf n GLU 12 N 3.65 3.15 -0.31 1.54 0.28 -1.26 -4.85 120.64 122.84 2daf n GLU 12 Ca -0.22 -4.00 0.14 0.00 -0.16 0.00 0.00 57.16 52.93 2daf n GLU 12 Cb 0.52 -2.11 0.30 0.00 1.43 0.00 0.00 31.44 31.58 2daf n GLU 12 CO 0.00 0.00 0.00 0.38 -0.16 0.00 0.00 177.13 177.35 2daf h ASP 13 N 2.24 -0.12 0.00 -1.84 2.03 -2.00 -3.02 116.42 113.71 2daf h ASP 13 Ca 0.25 0.22 -0.28 0.00 -0.73 0.00 0.00 57.03 56.49 2daf h ASP 13 Cb 1.47 0.32 -0.05 0.00 -0.83 0.00 0.00 39.33 40.25 2daf h ASP 13 CO 0.61 -0.22 -2.03 -1.54 -1.03 0.00 0.00 179.24 175.03 2daf n SER 14 N -5.30 2.47 -4.18 4.15 3.41 -1.26 -4.42 113.62 108.49 2daf n SER 14 Ca 0.22 -0.06 -0.41 0.00 -0.26 0.00 0.00 58.87 58.36 2daf n SER 14 Cb 0.72 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 2daf n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2daf n LEU 15 N -3.12 -2.65 -4.05 1.04 4.77 -1.14 -3.00 117.00 108.85 2daf n LEU 15 Ca -0.33 0.81 -0.08 0.00 -0.03 0.00 0.00 56.01 56.39 2daf n LEU 15 Cb 0.83 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 2daf n LEU 15 CO 0.16 -3.97 -0.36 0.00 -1.33 0.00 0.00 177.39 171.89 2daf s ALA 16 N -1.57 0.37 -0.49 -1.18 0.00 -0.61 -1.20 121.76 117.08 2daf s ALA 16 Ca 0.58 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 51.29 2daf s ALA 16 Cb -0.64 0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2daf s ALA 16 CO 0.60 -0.30 0.91 0.99 0.00 0.00 0.00 175.76 177.96 2daf s THR 17 N -3.12 4.47 -0.43 0.00 2.01 0.06 -2.76 115.64 115.88 2daf s THR 17 Ca -0.01 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 2daf s THR 17 Cb 0.02 -4.45 0.11 0.00 0.01 0.00 0.00 72.50 68.19 2daf s THR 17 CO -0.07 -0.90 0.27 -0.69 -0.69 0.00 0.00 174.62 172.54 2daf s VAL 18 N 3.75 3.84 0.05 3.82 1.01 -1.25 -1.72 120.40 129.91 2daf s VAL 18 Ca 0.34 -1.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.21 2daf s VAL 18 Cb -0.11 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.69 2daf s VAL 18 CO 0.24 -0.68 1.20 -0.54 0.00 0.00 0.00 175.10 175.32 2daf s LYS 19 N 1.29 4.43 -0.14 2.72 1.02 -1.00 -3.97 119.74 124.09 2daf s LYS 19 Ca 0.06 1.76 -0.02 0.00 0.02 0.00 0.00 55.97 57.79 2daf s LYS 19 Cb -0.24 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 2daf s LYS 19 CO -0.02 -0.27 -0.06 0.08 -0.92 0.00 0.00 175.35 174.16 2daf s VAL 20 N 1.15 3.67 -0.08 3.17 1.01 -0.09 -1.24 120.40 127.99 2daf s VAL 20 Ca 0.59 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2daf s VAL 20 Cb -0.29 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2daf s VAL 20 CO 0.29 0.52 -0.20 -0.69 0.00 0.00 0.00 175.10 175.01 2daf s VAL 21 N 0.19 1.71 -0.10 2.92 1.01 -0.78 -0.46 120.40 124.88 2daf s VAL 21 Ca -0.04 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.86 2daf s VAL 21 Cb -0.14 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2daf s VAL 21 CO 0.03 0.48 0.81 -0.76 0.00 0.00 0.00 175.10 175.67 2daf s LEU 22 N 0.32 4.26 -0.04 3.92 1.43 -0.62 -1.13 118.68 126.82 2daf s LEU 22 Ca -0.14 1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 2daf s LEU 22 Cb -0.16 -3.24 -0.10 0.00 0.03 0.00 0.00 46.19 42.72 2daf s LEU 22 CO 0.06 -0.27 0.69 0.40 0.23 0.00 0.00 176.35 177.45 2daf h ILE 23 N 4.97 0.27 0.00 -0.59 1.08 -1.52 1.12 117.51 122.84 2daf h ILE 23 Ca -0.36 -0.78 -0.02 0.00 -0.39 0.00 0.00 64.86 63.31 2daf h ILE 23 Cb 1.17 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 2daf h ILE 23 CO 0.79 0.07 -0.11 1.55 -0.69 0.00 0.00 178.15 179.76 2daf h PRO 24 N -1.05 0.00 0.00 2.37 0.13 -1.94 -3.34 132.00 128.17 2daf h PRO 24 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.00 2daf h PRO 24 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 2daf h PRO 24 CO 0.07 0.11 -1.23 0.28 -0.23 0.00 0.00 178.00 177.00 2daf n VAL 25 N -3.29 1.46 -0.05 1.56 0.31 -1.24 -5.03 118.33 112.05 2daf n VAL 25 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2daf n VAL 25 Cb 0.34 -2.19 0.00 0.00 -0.91 0.00 0.00 33.84 31.08 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 1.59 0.81 3.82 2.92 0.00 0.39 -4.99 105.19 109.72 2daf n GLY 26 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.95 4.26 -0.16 1.61 0.74 -1.26 -4.69 119.66 119.21 2daf s GLN 27 Ca 0.00 1.08 -0.05 0.00 0.05 0.00 0.00 55.36 56.44 2daf s GLN 27 Cb 0.00 -2.36 -0.03 0.00 1.10 0.00 0.00 33.01 31.72 2daf s GLN 27 CO 0.00 0.07 0.01 -1.21 -0.55 0.00 0.00 175.29 173.61 2daf s GLU 28 N -2.90 3.73 0.09 1.67 2.02 -1.26 -1.58 118.70 120.47 2daf s GLU 28 Ca 0.58 -0.42 0.07 0.00 0.02 0.00 0.00 54.97 55.21 2daf s GLU 28 Cb -0.11 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 2daf s GLU 28 CO 0.16 0.32 -0.17 0.42 0.02 0.00 0.00 175.26 176.00 2daf s ILE 29 N 0.21 1.43 -0.08 -1.63 1.01 0.39 -5.00 121.20 117.52 2daf s ILE 29 Ca 0.01 -1.46 0.01 0.00 0.00 0.00 0.00 60.65 59.21 2daf s ILE 29 Cb -0.13 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.00 2daf s ILE 29 CO 0.02 -0.16 -0.10 -0.69 0.00 0.00 0.00 174.94 174.00 2daf s VAL 30 N -1.30 1.05 -0.18 2.92 1.01 -1.26 -0.91 120.40 121.72 2daf s VAL 30 Ca 0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2daf s VAL 30 Cb -0.10 -1.00 0.05 0.00 0.00 0.00 0.00 36.38 35.33 2daf s VAL 30 CO 0.03 0.35 0.47 -0.51 0.00 0.00 0.00 175.10 175.45 2daf s ILE 31 N 1.07 -0.01 0.31 2.22 2.07 -1.25 -5.05 121.20 120.56 2daf s ILE 31 Ca -0.07 0.03 -0.29 0.00 -1.41 0.00 0.00 60.65 58.91 2daf s ILE 31 Cb -0.14 -0.67 -0.10 0.00 0.13 0.00 0.00 42.46 41.67 2daf s ILE 31 CO -0.01 0.01 1.23 -2.16 -1.91 0.00 0.00 174.94 172.10 2daf s PRO 32 N 0.74 4.46 0.04 3.50 0.04 -1.26 -3.74 135.00 138.78 2daf s PRO 32 Ca -0.04 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 2daf s PRO 32 Cb -0.05 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.38 2daf s PRO 32 CO -0.05 -0.04 0.25 0.12 0.04 0.00 0.00 177.00 177.32 2daf s PHE 33 N -1.14 -0.03 0.18 0.56 5.36 -1.11 -4.99 117.98 116.81 2daf s PHE 33 Ca 0.47 -0.14 -0.29 0.00 -0.96 0.00 0.00 56.93 56.01 2daf s PHE 33 Cb -0.37 0.03 -0.08 0.00 -0.34 0.00 0.00 43.02 42.27 2daf s PHE 33 CO 0.48 -0.46 0.91 0.15 -1.46 0.00 0.00 175.22 174.84 2daf s LYS 34 N -2.49 4.75 0.29 10.12 3.01 -1.26 -1.58 119.74 132.58 2daf s LYS 34 Ca -0.06 1.40 0.20 0.00 -1.01 0.00 0.00 55.97 56.51 2daf s LYS 34 Cb -0.01 -3.31 0.12 0.00 -1.01 0.00 0.00 37.83 33.62 2daf s LYS 34 CO -0.03 0.43 1.32 -0.39 0.51 0.00 0.00 175.35 177.19 2daf h VAL 35 N 3.47 0.29 -0.70 3.17 -1.51 -1.93 -3.24 116.25 115.81 2daf h VAL 35 Ca -0.45 -1.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.57 2daf h VAL 35 Cb 1.20 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 2daf h VAL 35 CO 0.69 0.17 0.00 -0.90 -1.23 0.00 0.00 177.57 176.29 2daf n ASP 36 N -3.00 3.73 -4.43 4.19 5.68 -1.26 -2.20 116.55 119.26 2daf n ASP 36 Ca 0.01 -2.00 -0.32 0.00 -0.50 0.00 0.00 54.79 51.97 2daf n ASP 36 Cb 0.63 -0.47 -0.14 0.00 -1.14 0.00 0.00 41.12 40.01 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 -1.07 2.76 1.04 2.12 2.01 -1.22 -5.01 115.64 116.26 2daf s THR 37 Ca 0.47 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 61.41 2daf s THR 37 Cb 0.24 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.72 2daf s THR 37 CO 0.32 0.58 -0.41 2.30 -0.69 0.00 0.00 174.62 176.71 2daf n ILE 38 N 2.31 0.00 -0.02 1.82 -6.64 -1.26 -4.46 119.36 111.11 2daf n ILE 38 Ca -0.17 -0.15 -0.07 0.00 -1.77 0.00 0.00 62.75 60.59 2daf n ILE 38 Cb 0.52 -0.37 -0.13 0.00 -1.44 0.00 0.00 39.64 38.21 2daf n ILE 38 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2daf n LEU 39 N 0.17 0.76 0.00 7.28 4.77 -1.23 -4.51 117.00 124.23 2daf n LEU 39 Ca 0.01 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2daf n LEU 39 Cb 0.58 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 2daf n LEU 39 CO 0.42 0.36 0.28 1.17 -1.33 0.00 0.00 177.39 178.29 2daf n LYS 40 N -2.98 0.00 -0.24 3.23 3.00 -1.26 0.14 118.16 120.05 2daf n LYS 40 Ca -0.18 0.57 0.12 0.00 -0.00 0.00 0.00 58.31 58.83 2daf n LYS 40 Cb 1.03 -0.87 0.24 0.00 0.00 0.00 0.00 35.03 35.42 2daf n LYS 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2daf n TYR 41 N -2.38 0.50 -0.07 5.64 4.01 -1.26 0.23 117.16 123.82 2daf n TYR 41 Ca 0.00 0.85 -0.14 0.00 -0.16 0.00 0.00 57.90 58.45 2daf n TYR 41 Cb 0.00 -1.06 -0.06 0.00 -0.31 0.00 0.00 39.34 37.91 2daf n TYR 41 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2daf h LEU 42 N 0.00 0.66 0.11 7.72 5.85 0.93 -2.69 115.31 127.89 2daf h LEU 42 Ca 0.45 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2daf h LEU 42 Cb 0.98 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2daf h LEU 42 CO -0.64 1.04 -0.17 0.50 -0.34 0.00 0.00 178.44 178.82 2daf h LYS 43 N 0.29 -0.29 -0.62 1.25 3.64 0.56 -2.82 116.57 118.58 2daf h LYS 43 Ca 0.02 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 2daf h LYS 43 Cb 0.89 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.66 2daf h LYS 43 CO 0.07 -0.19 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.54 2daf h ASP 44 N -0.30 -0.43 -0.78 4.20 3.32 -1.37 0.09 116.42 121.15 2daf h ASP 44 Ca -0.01 0.17 0.31 0.00 0.02 0.00 0.00 57.03 57.52 2daf h ASP 44 Cb 0.27 0.33 -0.13 0.00 0.22 0.00 0.00 39.33 40.03 2daf h ASP 44 CO -0.05 -0.17 0.44 1.57 -1.72 0.00 0.00 179.24 179.31 2daf n HIS 45 N -5.36 0.80 -0.09 4.55 -0.00 -1.01 -0.73 115.22 113.37 2daf n HIS 45 Ca 0.08 0.80 -0.14 0.00 0.46 0.00 0.00 57.72 58.93 2daf n HIS 45 Cb 0.35 -1.23 -0.06 0.00 -0.12 0.00 0.00 29.99 28.92 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 -4.57 0.90 -0.01 1.57 3.01 -0.06 -3.88 117.46 114.42 2daf n PHE 46 Ca 0.28 0.39 -0.00 0.00 1.01 0.00 0.00 57.45 59.13 2daf n PHE 46 Cb 0.98 -0.92 -0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2daf n PHE 46 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2daf n SER 47 N -4.51 -0.02 -0.19 4.37 7.64 0.09 -0.11 113.62 120.89 2daf n SER 47 Ca -0.21 0.87 -0.06 0.00 1.01 0.00 0.00 58.87 60.48 2daf n SER 47 Cb 0.49 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2daf n SER 47 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2daf h HIS 48 N 0.00 -0.92 -0.11 1.43 2.07 -1.41 0.16 115.15 116.37 2daf h HIS 48 Ca 0.00 0.07 0.02 0.00 -2.85 0.00 0.00 60.37 57.62 2daf h HIS 48 Cb 0.01 0.49 -0.05 0.00 2.57 0.00 0.00 27.41 30.42 2daf h HIS 48 CO -0.80 -0.38 -0.43 1.25 -3.07 0.00 0.00 177.93 174.50 2daf h LEU 49 N -0.18 -1.36 -2.11 6.12 7.12 -1.02 0.14 115.31 124.02 2daf h LEU 49 Ca 0.22 0.16 0.09 0.00 0.13 0.00 0.00 57.88 58.48 2daf h LEU 49 Cb 0.55 0.53 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 2daf h LEU 49 CO -0.65 -0.38 0.29 -0.07 -0.13 0.00 0.00 178.44 177.50 2daf h LEU 50 N -0.46 0.00 0.00 2.25 3.38 0.16 -3.45 115.31 117.19 2daf h LEU 50 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2daf h LEU 50 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2daf h LEU 50 CO -0.34 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.80 2daf n GLY 51 N -1.48 0.76 3.35 0.83 0.00 0.49 -4.93 105.19 104.22 2daf n GLY 51 Ca 0.04 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 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 2.03 0.36 -0.61 -4.36 -0.84 -4.99 121.20 110.80 2daf s ILE 52 Ca 0.00 -1.76 -0.27 0.00 -0.26 0.00 0.00 60.65 58.36 2daf s ILE 52 Cb 0.00 -1.85 -0.09 0.00 1.25 0.00 0.00 42.46 41.77 2daf s ILE 52 CO 0.00 -0.06 1.21 -2.16 0.24 0.00 0.00 174.94 174.17 2daf s PRO 53 N -2.23 4.22 0.13 0.37 0.04 -1.26 -3.95 135.00 132.32 2daf s PRO 53 Ca 0.13 1.96 0.16 0.00 0.04 0.00 0.00 61.00 63.29 2daf s PRO 53 Cb -0.09 -2.87 0.72 0.00 0.04 0.00 0.00 34.50 32.30 2daf s PRO 53 CO 0.06 -0.22 1.50 -2.39 0.04 0.00 0.00 177.00 176.00 2daf n HIS 54 N 0.45 0.38 0.26 0.56 1.44 -1.26 -3.14 115.22 113.91 2daf n HIS 54 Ca 0.02 0.16 -0.16 0.00 -2.01 0.00 0.00 57.72 55.74 2daf n HIS 54 Cb 0.45 -0.76 -0.08 0.00 0.12 0.00 0.00 29.99 29.72 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 -0.84 0.13 4.39 0.87 -2.03 -3.02 113.55 113.05 2daf h SER 55 Ca 0.00 0.06 -0.19 0.00 -1.23 0.00 0.00 61.79 60.43 2daf h SER 55 Cb 0.21 0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2daf h SER 55 CO 0.00 -0.48 -0.72 -0.37 -0.53 0.00 0.00 176.83 174.73 2daf h VAL 56 N -0.74 1.35 -3.82 2.23 -1.51 -1.96 -3.45 116.25 108.35 2daf h VAL 56 Ca -0.04 -2.06 -0.52 0.00 -1.23 0.00 0.00 66.70 62.85 2daf h VAL 56 Cb 0.63 2.04 0.04 0.00 -2.13 0.00 0.00 31.29 31.88 2daf h VAL 56 CO 0.00 0.63 0.58 -0.22 -1.23 0.00 0.00 177.57 177.33 2daf s LEU 57 N -8.11 4.47 0.21 4.19 2.96 -1.14 -0.36 118.68 120.90 2daf s LEU 57 Ca -0.07 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 2daf s LEU 57 Cb 0.10 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 2daf s LEU 57 CO 0.86 -0.38 0.10 -1.10 -1.32 0.00 0.00 176.35 174.50 2daf s GLN 58 N -1.55 1.25 -0.08 1.98 -1.52 -0.14 -4.83 119.66 114.77 2daf s GLN 58 Ca 0.48 -1.66 0.00 0.00 -1.95 0.00 0.00 55.36 52.23 2daf s GLN 58 Cb -0.37 0.01 0.02 0.00 -0.22 0.00 0.00 33.01 32.46 2daf s GLN 58 CO 0.47 -0.32 -0.06 0.42 -0.25 0.00 0.00 175.29 175.55 2daf s ILE 59 N -3.94 0.83 -0.14 1.08 1.01 -1.26 -2.95 121.20 115.82 2daf s ILE 59 Ca 0.36 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2daf s ILE 59 Cb 0.07 -0.85 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2daf s ILE 59 CO 0.11 0.32 -0.05 -0.60 0.00 0.00 0.00 174.94 174.72 2daf s ARG 60 N 1.39 3.50 -0.04 2.79 3.52 -0.68 -2.50 118.95 126.94 2daf s ARG 60 Ca -0.02 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.04 2daf s ARG 60 Cb -0.13 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.44 2daf s ARG 60 CO -0.04 0.32 0.03 -0.47 -0.81 0.00 0.00 175.30 174.33 2daf s TYR 61 N 0.15 0.20 -1.41 5.12 5.04 -0.13 -1.62 117.35 124.71 2daf s TYR 61 Ca -0.02 0.10 0.00 0.00 -2.44 0.00 0.00 57.07 54.71 2daf s TYR 61 Cb -0.14 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.73 2daf s TYR 61 CO 0.03 -0.16 0.00 0.45 -1.34 0.00 0.00 175.55 174.53 2daf n SER 62 N 4.67 -4.80 -0.11 4.32 2.88 -1.26 0.00 113.62 119.32 2daf n SER 62 Ca -0.17 0.12 -0.01 0.00 -1.33 0.00 0.00 58.87 57.48 2daf n SER 62 Cb 0.50 -4.05 -0.01 0.00 -0.75 0.00 0.00 64.21 59.91 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 63 N -0.87 0.52 3.51 0.46 0.00 -1.26 -5.03 105.19 102.52 2daf n GLY 63 Ca -0.19 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.32 1.84 -0.54 1.61 1.02 0.10 -5.10 119.74 117.36 2daf s LYS 64 Ca 0.00 -1.46 -0.18 0.00 0.02 0.00 0.00 55.97 54.36 2daf s LYS 64 Cb 0.00 -1.99 0.09 0.00 -0.52 0.00 0.00 37.83 35.42 2daf s LYS 64 CO 0.00 0.40 0.57 0.42 -0.92 0.00 0.00 175.35 175.82 2daf s ILE 65 N -1.91 5.01 0.96 2.17 -1.09 -1.26 -0.95 121.20 124.14 2daf s ILE 65 Ca 0.25 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.48 2daf s ILE 65 Cb -0.08 -4.34 0.24 0.00 -1.58 0.00 0.00 42.46 36.70 2daf s ILE 65 CO 0.14 -0.88 0.86 0.18 -1.23 0.00 0.00 174.94 174.00 2daf n LEU 66 N 5.80 0.00 -3.85 2.97 4.77 -1.04 -5.03 117.00 120.62 2daf n LEU 66 Ca -0.11 -0.91 -0.05 0.00 -0.03 0.00 0.00 56.01 54.91 2daf n LEU 66 Cb 0.43 -0.79 0.02 0.00 -2.33 0.00 0.00 43.42 40.75 2daf n LEU 66 CO 0.54 -1.91 0.70 -0.54 -1.33 0.00 0.00 177.39 174.85 2daf s LYS 67 N -4.95 1.68 0.00 3.23 1.02 -1.26 -4.81 119.74 114.66 2daf s LYS 67 Ca 0.56 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2daf s LYS 67 Cb -0.05 0.47 0.00 0.00 -0.52 0.00 0.00 37.83 37.73 2daf s LYS 67 CO 0.43 -0.79 0.51 -1.71 -0.92 0.00 0.00 175.35 172.87 2daf n ASN 68 N -1.28 0.00 -0.21 2.83 4.05 -1.26 -3.27 115.26 116.13 2daf n ASN 68 Ca -0.05 0.71 0.30 0.00 0.45 0.00 0.00 54.58 55.98 2daf n ASN 68 Cb 0.60 -0.43 0.58 0.00 1.23 0.00 0.00 39.78 41.75 2daf n ASN 68 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 2daf h ASN 69 N 0.00 0.00 -4.01 1.20 -0.73 -1.99 -3.27 115.58 106.78 2daf h ASN 69 Ca 0.00 0.00 -0.46 0.00 1.87 0.00 0.00 56.30 57.71 2daf h ASN 69 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 2daf h ASN 69 CO 0.00 0.00 0.36 -1.61 -0.37 0.00 0.00 177.43 175.81 2daf s GLU 70 N -4.56 4.19 0.29 6.67 8.01 -1.20 -4.95 118.70 127.14 2daf s GLU 70 Ca -0.03 1.28 0.11 0.00 0.01 0.00 0.00 54.97 56.34 2daf s GLU 70 Cb 0.17 -2.34 -0.05 0.00 -4.31 0.00 0.00 34.13 27.59 2daf s GLU 70 CO 0.56 -0.08 -0.16 0.99 0.01 0.00 0.00 175.26 176.58 2daf s THR 71 N -1.94 2.34 0.13 3.63 2.01 -1.26 -3.50 115.64 117.05 2daf s THR 71 Ca 0.60 -2.33 -0.15 0.00 0.31 0.00 0.00 61.69 60.12 2daf s THR 71 Cb -0.15 -2.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.96 2daf s THR 71 CO 0.19 -0.35 1.63 -0.07 -0.69 0.00 0.00 174.62 175.34 2daf h LEU 72 N 2.21 0.60 -1.88 4.42 -0.00 -1.78 -2.35 115.31 116.54 2daf h LEU 72 Ca -0.40 -0.22 -0.01 0.00 -0.00 0.00 0.00 57.88 57.24 2daf h LEU 72 Cb 1.25 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2daf h LEU 72 CO 0.63 0.67 -0.06 -0.37 -0.00 0.00 0.00 178.44 179.32 2daf h VAL 73 N 0.51 0.21 0.00 1.22 -1.51 -1.57 -1.58 116.25 113.53 2daf h VAL 73 Ca 0.13 -0.48 -0.10 0.00 -1.23 0.00 0.00 66.70 65.02 2daf h VAL 73 Cb 0.30 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2daf h VAL 73 CO -0.00 0.06 -0.48 1.56 -1.23 0.00 0.00 177.57 177.48 2daf h GLN 74 N 0.00 0.00 0.00 5.19 1.08 -1.72 -3.17 115.11 116.49 2daf h GLN 74 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 2daf h GLN 74 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 2daf h GLN 74 CO 0.01 0.48 -1.25 0.72 -0.95 0.00 0.00 178.83 177.83 2daf n HIS 75 N -3.37 0.82 0.00 2.96 8.25 -0.80 -4.96 115.22 118.12 2daf n HIS 75 Ca 0.01 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2daf n HIS 75 Cb 0.65 -0.92 0.00 0.00 1.12 0.00 0.00 29.99 30.83 2daf n HIS 75 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2daf n GLY 76 N 1.24 0.74 3.15 -1.41 0.00 -0.81 -5.13 105.19 102.97 2daf n GLY 76 Ca -0.03 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 1.48 0.26 1.61 1.01 -0.66 -4.96 120.40 119.14 2daf s VAL 77 Ca 0.00 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.31 2daf s VAL 77 Cb 0.00 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 2daf s VAL 77 CO 0.00 0.42 0.16 -0.54 0.00 0.00 0.00 175.10 175.14 2daf s LYS 78 N -0.03 2.75 0.45 2.72 1.02 -1.26 -3.96 119.74 121.43 2daf s LYS 78 Ca -0.02 -1.17 -0.23 0.00 0.02 0.00 0.00 55.97 54.56 2daf s LYS 78 Cb -0.11 -2.45 -0.07 0.00 -0.52 0.00 0.00 37.83 34.67 2daf s LYS 78 CO 0.02 0.36 1.17 -1.25 -0.92 0.00 0.00 175.35 174.72 2daf s PRO 79 N -3.82 3.78 -1.17 -1.68 0.04 -1.26 -3.49 135.00 127.41 2daf s PRO 79 Ca 0.33 1.78 -0.07 0.00 0.04 0.00 0.00 61.00 63.08 2daf s PRO 79 Cb -0.07 -2.43 0.01 0.00 0.04 0.00 0.00 34.50 32.05 2daf s PRO 79 CO 0.24 -0.53 1.02 1.04 0.04 0.00 0.00 177.00 178.80 2daf n GLN 80 N -0.44 -6.82 -4.39 4.56 6.02 -0.34 -4.98 117.38 110.99 2daf n GLN 80 Ca 0.07 0.72 -0.20 0.00 -0.01 0.00 0.00 57.00 57.58 2daf n GLN 80 Cb 0.48 -5.44 -0.10 0.00 1.02 0.00 0.00 30.24 26.19 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 -6.04 1.45 -0.11 -1.09 -1.05 -1.23 -4.92 118.70 105.72 2daf s GLU 81 Ca 0.45 -1.68 -0.00 0.00 -0.15 0.00 0.00 54.97 53.59 2daf s GLU 81 Cb -0.20 -1.21 -0.02 0.00 -0.44 0.00 0.00 34.13 32.25 2daf s GLU 81 CO 0.63 0.15 -0.09 0.42 0.95 0.00 0.00 175.26 177.33 2daf s ILE 82 N -2.93 3.49 0.29 1.83 1.09 -1.26 -0.76 121.20 122.96 2daf s ILE 82 Ca 0.26 -0.52 0.04 0.00 -1.10 0.00 0.00 60.65 59.33 2daf s ILE 82 Cb 0.00 -2.47 -0.02 0.00 -1.06 0.00 0.00 42.46 38.92 2daf s ILE 82 CO 0.10 0.54 0.16 1.33 -0.10 0.00 0.00 174.94 176.97 2daf n VAL 83 N 3.01 0.00 -3.66 2.92 0.24 -0.70 -5.02 118.33 115.12 2daf n VAL 83 Ca -0.18 -1.87 -0.16 0.00 -2.04 0.00 0.00 64.34 60.09 2daf n VAL 83 Cb 0.53 0.79 -0.15 0.00 -1.47 0.00 0.00 33.84 33.54 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 -3.14 0.05 0.31 7.34 0.74 -1.26 -2.39 119.66 121.32 2daf s GLN 84 Ca 0.23 0.59 0.11 0.00 0.05 0.00 0.00 55.36 56.34 2daf s GLN 84 Cb 0.01 -0.24 -0.05 0.00 1.10 0.00 0.00 33.01 33.82 2daf s GLN 84 CO 0.16 -0.31 -0.12 0.14 -0.55 0.00 0.00 175.29 174.62 2daf s VAL 85 N 2.32 2.51 -0.02 1.34 -7.23 -0.37 -4.66 120.40 114.28 2daf s VAL 85 Ca 0.03 -2.23 0.07 0.00 -1.81 0.00 0.00 61.98 58.03 2daf s VAL 85 Cb -0.12 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 2daf s VAL 85 CO -0.06 -0.30 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.58 2daf s GLU 86 N -3.59 1.94 -0.02 4.82 8.01 -0.64 -1.87 118.70 127.36 2daf s GLU 86 Ca 0.32 -0.84 0.07 0.00 0.01 0.00 0.00 54.97 54.52 2daf s GLU 86 Cb -0.02 -1.86 -0.02 0.00 -4.31 0.00 0.00 34.13 27.92 2daf s GLU 86 CO 0.17 0.50 -0.22 0.42 0.01 0.00 0.00 175.26 176.13 2daf s ILE 87 N -0.52 2.42 0.25 -1.63 1.01 -0.29 -1.68 121.20 120.75 2daf s ILE 87 Ca 0.08 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.48 2daf s ILE 87 Cb -0.09 -1.90 0.05 0.00 0.01 0.00 0.00 42.46 40.52 2daf s ILE 87 CO -0.01 0.54 0.86 0.72 0.00 0.00 0.00 174.94 177.05 2daf s PHE 88 N -0.70 -0.06 -0.05 3.97 -0.12 -1.15 -1.22 117.98 118.64 2daf s PHE 88 Ca 0.11 -0.39 0.06 0.00 -0.05 0.00 0.00 56.93 56.66 2daf s PHE 88 Cb -0.10 0.71 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 2daf s PHE 88 CO 0.00 -1.13 -0.25 0.45 -0.05 0.00 0.00 175.22 174.25 2daf s SER 89 N -3.04 3.12 0.28 1.98 0.15 -1.26 -0.96 113.70 113.97 2daf s SER 89 Ca 0.14 -0.49 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 2daf s SER 89 Cb -0.04 -0.80 0.41 0.00 -1.71 0.00 0.00 66.02 63.88 2daf s SER 89 CO 0.06 0.26 1.83 0.71 1.20 0.00 0.00 173.24 177.30 2daf h THR 90 N 4.98 1.22 -2.97 6.45 1.35 -1.05 -3.35 112.91 119.54 2daf h THR 90 Ca -0.33 -0.81 -0.61 0.00 -0.55 0.00 0.00 66.41 64.10 2daf h THR 90 Cb 1.17 0.69 -0.40 0.00 -1.73 0.00 0.00 68.15 67.88 2daf h THR 90 CO 0.47 0.30 -0.73 0.21 -0.25 0.00 0.00 175.52 175.53 2daf s ASN 91 N -6.59 3.64 0.42 5.36 2.47 -1.26 -4.94 114.94 114.04 2daf s ASN 91 Ca -0.10 -2.94 0.29 0.00 0.42 0.00 0.00 52.86 50.54 2daf s ASN 91 Cb 0.15 -1.12 1.22 0.00 -1.45 0.00 0.00 41.25 40.05 2daf s ASN 91 CO 0.80 -0.22 1.87 1.55 -3.72 0.00 0.00 177.10 177.38 2daf h PRO 92 N 6.34 0.00 -0.38 0.43 0.13 -1.78 -2.15 132.00 134.59 2daf h PRO 92 Ca 0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.05 2daf h PRO 92 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2daf h PRO 92 CO 0.53 0.00 -0.26 -0.44 -0.23 0.00 0.00 178.00 177.60 2daf h ASP 93 N 0.00 0.81 0.00 1.44 5.19 -1.95 -2.29 116.42 119.62 2daf h ASP 93 Ca 0.00 -0.31 -0.16 0.00 -0.62 0.00 0.00 57.03 55.94 2daf h ASP 93 Cb 0.43 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2daf h ASP 93 CO 0.00 1.03 -1.02 0.18 -3.12 0.00 0.00 179.24 176.31 2daf n LEU 94 N -4.10 1.84 -3.67 1.55 4.77 -1.12 -4.74 117.00 111.54 2daf n LEU 94 Ca -0.00 0.49 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 2daf n LEU 94 Cb 0.46 -0.93 -0.11 0.00 -2.33 0.00 0.00 43.42 40.50 2daf n LEU 94 CO 0.45 0.03 -0.12 -1.22 -1.33 0.00 0.00 177.39 175.20 2daf n TYR 95 N -4.49 1.87 -2.26 -1.77 4.02 -0.82 -5.10 117.16 108.61 2daf n TYR 95 Ca -0.24 -3.96 -0.40 0.00 -0.01 0.00 0.00 57.90 53.29 2daf n TYR 95 Cb 0.54 -0.34 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 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 -1.10 4.35 0.31 -0.72 0.04 -0.86 -4.47 135.00 132.56 2daf s PRO 96 Ca 0.29 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 63.07 2daf s PRO 96 Cb 0.01 -3.00 -0.09 0.00 0.04 0.00 0.00 34.50 31.46 2daf s PRO 96 CO -0.16 -0.12 1.01 0.08 0.04 0.00 0.00 177.00 177.86 2daf s VAL 97 N -1.22 3.85 0.33 -0.36 1.01 -1.26 -5.02 120.40 117.73 2daf s VAL 97 Ca 0.50 1.65 0.00 0.00 0.00 0.00 0.00 61.98 64.14 2daf s VAL 97 Cb -0.35 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 2daf s VAL 97 CO 0.46 0.24 0.01 -2.11 0.00 0.00 0.00 175.10 173.70 2daf n ARG 98 N 0.77 1.13 -3.98 2.72 1.85 -1.26 -4.83 116.66 113.05 2daf n ARG 98 Ca 0.01 -2.45 -0.32 0.00 -1.00 0.00 0.00 57.85 54.09 2daf n ARG 98 Cb 0.48 0.72 -0.05 0.00 -1.05 0.00 0.00 32.46 32.56 2daf n ARG 98 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 2daf s ARG 99 N -3.20 3.25 -0.08 2.89 3.52 -1.26 -4.91 118.95 119.16 2daf s ARG 99 Ca 0.02 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2daf s ARG 99 Cb 0.00 -2.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.40 2daf s ARG 99 CO 0.01 0.64 -0.13 0.42 -0.81 0.00 0.00 175.30 175.43 2daf s ILE 100 N -1.34 3.15 0.59 4.11 1.01 -1.26 -5.10 121.20 122.37 2daf s ILE 100 Ca 0.28 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 2daf s ILE 100 Cb -0.12 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.10 2daf s ILE 100 CO 0.20 0.57 0.86 1.51 0.00 0.00 0.00 174.94 178.08 2daf s ASP 101 N -0.34 5.26 0.18 3.58 1.47 -1.26 -5.11 116.67 120.46 2daf s ASP 101 Ca 0.03 0.32 0.10 0.00 1.18 0.00 0.00 52.55 54.19 2daf s ASP 101 Cb -0.13 -1.19 -0.04 0.00 -0.34 0.00 0.00 42.92 41.22 2daf s ASP 101 CO 0.02 -1.22 -0.22 -0.83 0.68 0.00 0.00 175.17 173.61 2daf s GLY 102 N -4.40 1.60 0.16 2.12 0.00 -1.26 -5.00 107.32 100.54 2daf s GLY 102 Ca 0.56 -1.58 0.11 0.00 0.00 0.00 0.00 44.72 43.81 2daf s GLY 102 CO 0.42 -1.62 1.35 1.47 0.00 0.00 0.00 173.10 174.71 2daf n LEU 103 N 0.29 0.29 -0.13 0.66 -0.00 -1.26 -1.98 117.00 114.86 2daf n LEU 103 Ca -0.13 0.63 -0.09 0.00 -0.00 0.00 0.00 56.01 56.42 2daf n LEU 103 Cb 0.56 -0.67 -0.01 0.00 -0.00 0.00 0.00 43.42 43.30 2daf n LEU 103 CO 0.29 -0.72 0.88 0.74 -0.00 0.00 0.00 177.39 178.58 2daf h THR 104 N 0.00 1.21 -3.25 1.47 2.02 -2.05 -3.42 112.91 108.91 2daf h THR 104 Ca 0.00 -0.71 -0.59 0.00 0.77 0.00 0.00 66.41 65.89 2daf h THR 104 Cb 0.01 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.29 2daf h THR 104 CO 0.00 0.25 -0.22 -0.62 0.37 0.00 0.00 175.52 175.30 2daf s ASP 105 N -5.92 6.62 -0.05 4.18 -1.08 -0.84 -5.07 116.67 114.50 2daf s ASP 105 Ca -0.13 0.73 -0.16 0.00 -0.52 0.00 0.00 52.55 52.47 2daf s ASP 105 Cb 0.10 -2.24 -0.05 0.00 -1.46 0.00 0.00 42.92 39.27 2daf s ASP 105 CO 0.76 0.10 0.42 0.54 0.52 0.00 0.00 175.17 177.51 2daf s VAL 106 N 0.22 5.10 -0.40 1.11 0.11 -1.26 -4.79 120.40 120.49 2daf s VAL 106 Ca 0.22 0.85 0.02 0.00 -2.93 0.00 0.00 61.98 60.14 2daf s VAL 106 Cb -0.15 -3.74 0.12 0.00 -1.53 0.00 0.00 36.38 31.08 2daf s VAL 106 CO 0.08 0.48 0.18 -0.44 -3.33 0.00 0.00 175.10 172.07 2daf s SER 107 N -0.38 3.92 -0.18 3.54 0.01 -1.26 -4.93 113.70 114.42 2daf s SER 107 Ca 0.24 -2.31 -0.04 0.00 1.31 0.00 0.00 55.95 55.15 2daf s SER 107 Cb -0.16 -1.08 -0.10 0.00 0.21 0.00 0.00 66.02 64.89 2daf s SER 107 CO 0.12 -0.32 -0.20 1.67 0.41 0.00 0.00 173.24 174.92 2daf n GLN 108 N 3.98 0.42 -3.63 12.44 -0.06 -1.26 -4.88 117.38 124.39 2daf n GLN 108 Ca 0.05 0.14 -0.28 0.00 -2.00 0.00 0.00 57.00 54.90 2daf n GLN 108 Cb 0.37 -1.26 -0.12 0.00 -4.06 0.00 0.00 30.24 25.18 2daf n GLN 108 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 2daf s ILE 109 N -2.35 1.23 -0.15 1.69 1.10 -1.26 -5.09 121.20 116.38 2daf s ILE 109 Ca -0.25 -2.81 -0.15 0.00 -0.51 0.00 0.00 60.65 56.93 2daf s ILE 109 Cb 0.08 -1.84 0.04 0.00 0.15 0.00 0.00 42.46 40.89 2daf s ILE 109 CO 0.37 -1.03 0.42 -0.51 -2.11 0.00 0.00 174.94 172.08 2daf s ILE 110 N 0.01 0.00 -0.35 2.00 1.10 -1.26 -5.13 121.20 117.57 2daf s ILE 110 Ca 0.23 -0.03 -0.24 0.00 -0.51 0.00 0.00 60.65 60.10 2daf s ILE 110 Cb -0.12 -0.60 0.01 0.00 0.15 0.00 0.00 42.46 41.90 2daf s ILE 110 CO -0.09 -0.02 0.83 0.42 -2.11 0.00 0.00 174.94 173.97 2daf s THR 111 N 0.09 4.71 -0.04 4.00 -4.23 -1.26 -5.04 115.64 113.86 2daf s THR 111 Ca -0.01 1.06 -0.07 0.00 -1.18 0.00 0.00 61.69 61.48 2daf s THR 111 Cb -0.03 -4.23 -0.04 0.00 1.34 0.00 0.00 72.50 69.54 2daf s THR 111 CO 0.01 -0.41 0.23 0.54 -0.54 0.00 0.00 174.62 174.45 2daf s VAL 112 N 3.16 5.36 0.14 2.29 0.11 -1.26 -5.03 120.40 125.18 2daf s VAL 112 Ca 0.34 0.23 -0.22 0.00 -2.93 0.00 0.00 61.98 59.39 2daf s VAL 112 Cb -0.13 -3.52 -0.13 0.00 -1.53 0.00 0.00 36.38 31.07 2daf s VAL 112 CO 0.16 0.49 0.43 -0.24 -3.33 0.00 0.00 175.10 172.61 2daf n SER 113 N 1.52 -0.86 -3.84 3.54 2.88 -1.26 -4.86 113.62 110.73 2daf n SER 113 Ca -0.15 0.86 -0.37 0.00 -1.33 0.00 0.00 58.87 57.88 2daf n SER 113 Cb 0.54 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 63.25 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 1.48 4.86 0.08 0.46 0.00 -1.26 -4.82 105.19 105.98 2daf n GLY 114 Ca 0.14 -2.69 0.10 0.00 0.00 0.00 0.00 46.02 43.57 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 1.37 0.11 -3.65 1.61 -0.04 -1.26 -4.90 135.00 128.25 2daf n PRO 115 Ca 0.27 0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 63.87 2daf n PRO 115 Cb 0.36 -1.72 0.05 0.00 -0.04 0.00 0.00 33.50 32.15 2daf n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daf n SER 116 N -1.93 -1.68 -4.71 3.54 2.88 -1.26 -4.96 113.62 105.50 2daf n SER 116 Ca 0.03 -0.76 -0.37 0.00 -1.33 0.00 0.00 58.87 56.44 2daf n SER 116 Cb 0.20 -4.32 -0.08 0.00 -0.75 0.00 0.00 64.21 59.26 2daf n SER 116 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2daf s SER 117 N -4.28 6.36 0.00 -3.46 0.15 -1.26 -5.34 113.70 105.87 2daf s SER 117 Ca 0.05 0.42 0.25 0.00 0.70 0.00 0.00 55.95 57.37 2daf s SER 117 Cb -0.02 -2.17 0.47 0.00 -1.71 0.00 0.00 66.02 62.59 2daf s SER 117 CO 0.79 0.07 1.42 0.61 1.20 0.00 0.00 173.24 177.33