#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 6.16 -1.78 1.61 0.15 -1.26 -4.44 113.70 114.15 2daf s SER 2 Ca 0.00 -0.03 -0.17 0.00 0.70 0.00 0.00 55.95 56.45 2daf s SER 2 Cb 0.00 -2.18 0.17 0.00 -1.71 0.00 0.00 66.02 62.30 2daf s SER 2 CO 0.00 -0.23 0.49 -1.20 1.20 0.00 0.00 173.24 173.50 2daf n SER 3 N 5.29 -1.37 -3.66 5.45 7.64 -1.26 -4.90 113.62 120.82 2daf n SER 3 Ca -0.10 -1.22 -0.08 0.00 1.01 0.00 0.00 58.87 58.48 2daf n SER 3 Cb 0.50 -1.79 -0.08 0.00 -1.01 0.00 0.00 64.21 61.83 2daf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2daf s GLY 4 N -3.54 -0.54 0.18 0.23 0.00 -1.26 -5.13 107.32 97.26 2daf s GLY 4 Ca 0.62 2.13 0.10 0.00 0.00 0.00 0.00 44.72 47.57 2daf s GLY 4 CO 1.01 2.22 -0.18 -0.45 0.00 0.00 0.00 173.10 175.70 2daf s SER 5 N 1.66 3.80 0.14 1.64 0.15 -1.26 -4.62 113.70 115.21 2daf s SER 5 Ca -0.09 -0.72 -0.16 0.00 0.70 0.00 0.00 55.95 55.68 2daf s SER 5 Cb -0.07 -0.47 0.03 0.00 -1.71 0.00 0.00 66.02 63.81 2daf s SER 5 CO -0.18 0.12 0.42 -0.44 1.20 0.00 0.00 173.24 174.37 2daf s SER 6 N -2.67 -0.23 0.07 5.45 0.01 -1.26 -5.18 113.70 109.89 2daf s SER 6 Ca 0.22 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.11 2daf s SER 6 Cb -0.09 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.65 2daf s SER 6 CO 0.12 -0.90 0.07 0.61 0.41 0.00 0.00 173.24 173.55 2daf n GLY 7 N -0.25 1.88 0.14 3.44 0.00 -1.26 -5.07 105.19 104.06 2daf n GLY 7 Ca -0.14 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.49 2daf n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2daf n GLN 8 N -1.11 0.61 -2.61 1.61 10.64 -1.26 -4.94 117.38 120.31 2daf n GLN 8 Ca 0.01 0.23 -0.42 0.00 -1.83 0.00 0.00 57.00 55.00 2daf n GLN 8 Cb 0.05 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 27.90 2daf n GLN 8 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2daf s GLU 9 N -2.51 4.55 -0.34 2.61 -6.30 -1.26 -5.02 118.70 110.42 2daf s GLU 9 Ca -0.37 1.55 -0.08 0.00 -2.50 0.00 0.00 54.97 53.57 2daf s GLU 9 Cb 0.13 -3.40 0.03 0.00 0.00 0.00 0.00 34.13 30.89 2daf s GLU 9 CO 0.53 -0.05 0.13 0.45 0.02 0.00 0.00 175.26 176.33 2daf s SER 10 N 0.75 5.40 -1.26 -1.70 0.15 -1.26 -5.03 113.70 110.75 2daf s SER 10 Ca 0.53 -1.03 -0.17 0.00 0.70 0.00 0.00 55.95 55.97 2daf s SER 10 Cb -0.25 -1.91 0.10 0.00 -1.71 0.00 0.00 66.02 62.25 2daf s SER 10 CO 0.29 -0.32 1.63 -0.69 1.20 0.00 0.00 173.24 175.36 2daf s VAL 11 N 1.46 4.39 -1.26 4.45 1.01 -1.26 -4.88 120.40 124.30 2daf s VAL 11 Ca -0.00 -2.09 -0.13 0.00 0.00 0.00 0.00 61.98 59.76 2daf s VAL 11 Cb -0.19 -5.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.03 2daf s VAL 11 CO 0.04 -1.90 2.34 1.21 0.00 0.00 0.00 175.10 176.79 2daf n GLU 12 N 7.59 2.66 -0.06 2.72 2.13 -1.26 -4.19 120.64 130.23 2daf n GLU 12 Ca 0.45 -2.12 -0.07 0.00 0.66 0.00 0.00 57.16 56.08 2daf n GLU 12 Cb 0.45 -2.92 -0.08 0.00 0.27 0.00 0.00 31.44 29.16 2daf n GLU 12 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2daf n ASP 13 N 5.35 2.57 -0.80 4.31 8.00 -1.26 -4.69 116.55 130.02 2daf n ASP 13 Ca 0.57 -0.03 0.05 0.00 0.71 0.00 0.00 54.79 56.10 2daf n ASP 13 Cb 0.30 0.40 0.10 0.00 -0.02 0.00 0.00 41.12 41.90 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 -2.58 1.27 -4.68 -2.24 7.64 -1.26 -4.82 113.62 106.94 2daf n SER 14 Ca -0.20 -2.79 -0.38 0.00 1.01 0.00 0.00 58.87 56.51 2daf n SER 14 Cb 0.82 -0.38 -0.07 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.51 4.18 -0.13 -3.43 1.43 -1.26 -4.03 118.68 113.93 2daf s LEU 15 Ca 0.29 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 2daf s LEU 15 Cb 0.30 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2daf s LEU 15 CO -0.08 -0.06 -0.04 0.00 0.23 0.00 0.00 176.35 176.40 2daf s ALA 16 N 1.17 3.03 -0.33 4.21 0.00 -0.96 -1.73 121.76 127.15 2daf s ALA 16 Ca 0.21 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 51.06 2daf s ALA 16 Cb -0.15 -1.48 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2daf s ALA 16 CO 0.08 0.33 1.93 0.99 0.00 0.00 0.00 175.76 179.09 2daf s THR 17 N -0.01 3.34 -0.42 0.00 2.01 0.25 -3.18 115.64 117.63 2daf s THR 17 Ca 0.01 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.29 2daf s THR 17 Cb -0.13 -3.49 0.10 0.00 0.01 0.00 0.00 72.50 68.99 2daf s THR 17 CO 0.03 -0.33 0.24 -0.69 -0.69 0.00 0.00 174.62 173.17 2daf s VAL 18 N 7.59 3.73 -0.02 3.82 1.01 -1.25 -1.57 120.40 133.71 2daf s VAL 18 Ca 0.84 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 2daf s VAL 18 Cb -0.24 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2daf s VAL 18 CO 0.33 -0.64 1.13 -0.54 0.00 0.00 0.00 175.10 175.38 2daf s LYS 19 N 1.27 4.43 0.05 2.72 1.02 -0.92 -3.76 119.74 124.54 2daf s LYS 19 Ca 0.05 1.61 0.07 0.00 0.02 0.00 0.00 55.97 57.72 2daf s LYS 19 Cb -0.24 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 2daf s LYS 19 CO -0.02 -0.30 -0.17 0.08 -0.92 0.00 0.00 175.35 174.03 2daf s VAL 20 N 1.64 2.90 -0.05 3.17 1.01 0.13 -0.57 120.40 128.62 2daf s VAL 20 Ca 0.55 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2daf s VAL 20 Cb -0.24 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.92 2daf s VAL 20 CO 0.24 0.31 -0.02 -0.69 0.00 0.00 0.00 175.10 174.94 2daf s VAL 21 N -0.97 0.42 0.01 2.92 1.01 -1.03 -0.05 120.40 122.71 2daf s VAL 21 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 2daf s VAL 21 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2daf s VAL 21 CO 0.06 0.22 1.16 -0.76 0.00 0.00 0.00 175.10 175.79 2daf s LEU 22 N 1.32 4.33 -0.03 3.92 1.43 -0.22 -2.37 118.68 127.07 2daf s LEU 22 Ca -0.05 1.88 -0.19 0.00 -1.03 0.00 0.00 54.13 54.74 2daf s LEU 22 Cb -0.13 -3.57 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 2daf s LEU 22 CO -0.02 -0.48 0.80 0.40 0.23 0.00 0.00 176.35 177.28 2daf h ILE 23 N 4.75 0.20 -0.29 -0.59 1.08 -1.78 0.65 117.51 121.53 2daf h ILE 23 Ca -0.39 -0.63 -0.15 0.00 -0.39 0.00 0.00 64.86 63.31 2daf h ILE 23 Cb 1.19 0.32 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2daf h ILE 23 CO 0.83 0.05 -0.41 1.55 -0.69 0.00 0.00 178.15 179.47 2daf h PRO 24 N -1.08 0.71 0.23 2.37 0.13 -1.93 -3.26 132.00 129.17 2daf h PRO 24 Ca -0.06 -0.37 -0.34 0.00 -0.87 0.00 0.00 66.00 64.36 2daf h PRO 24 Cb 0.50 0.01 0.03 0.00 0.13 0.00 0.00 31.00 31.67 2daf h PRO 24 CO 0.09 0.99 -1.56 0.28 -0.23 0.00 0.00 178.00 177.57 2daf h VAL 25 N 0.58 1.16 0.00 1.56 2.07 -1.86 -3.48 116.25 116.29 2daf h VAL 25 Ca 0.04 -2.63 0.00 0.00 0.82 0.00 0.00 66.70 64.94 2daf h VAL 25 Cb 0.96 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 2daf h VAL 25 CO 0.09 0.82 0.00 0.61 0.02 0.00 0.00 177.57 179.11 2daf n GLY 26 N 1.77 0.76 3.83 2.17 0.00 0.23 -4.99 105.19 108.96 2daf n GLY 26 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.04 4.04 0.25 1.61 0.74 -1.25 -4.75 119.66 120.26 2daf s GLN 27 Ca 0.00 0.56 -0.09 0.00 0.05 0.00 0.00 55.36 55.87 2daf s GLN 27 Cb 0.00 -3.07 -0.07 0.00 1.10 0.00 0.00 33.01 30.97 2daf s GLN 27 CO 0.00 0.56 0.57 -2.00 -0.55 0.00 0.00 175.29 173.87 2daf s GLU 28 N -1.56 3.80 -0.10 1.67 -6.30 -1.26 -1.05 118.70 113.89 2daf s GLU 28 Ca 0.33 0.28 -0.04 0.00 -2.50 0.00 0.00 54.97 53.03 2daf s GLU 28 Cb -0.17 -2.62 0.05 0.00 0.00 0.00 0.00 34.13 31.39 2daf s GLU 28 CO 0.18 0.29 0.21 0.42 0.02 0.00 0.00 175.26 176.38 2daf s ILE 29 N -1.87 -0.15 -0.23 -3.70 1.01 0.93 -4.98 121.20 112.22 2daf s ILE 29 Ca 0.48 0.21 -0.05 0.00 0.00 0.00 0.00 60.65 61.29 2daf s ILE 29 Cb -0.11 -0.34 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 2daf s ILE 29 CO 0.22 0.09 0.00 -0.69 0.00 0.00 0.00 174.94 174.56 2daf s VAL 30 N 1.62 3.76 -0.10 2.92 1.01 -1.26 -0.69 120.40 127.66 2daf s VAL 30 Ca -0.05 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2daf s VAL 30 Cb -0.11 -2.73 0.04 0.00 0.00 0.00 0.00 36.38 33.58 2daf s VAL 30 CO -0.07 0.39 0.23 -0.51 0.00 0.00 0.00 175.10 175.14 2daf s ILE 31 N 1.51 -0.03 -0.02 2.22 2.07 -1.25 -5.05 121.20 120.66 2daf s ILE 31 Ca 0.06 0.12 -0.30 0.00 -1.41 0.00 0.00 60.65 59.12 2daf s ILE 31 Cb -0.15 -0.35 -0.05 0.00 0.13 0.00 0.00 42.46 42.04 2daf s ILE 31 CO -0.00 0.05 1.46 -2.16 -1.91 0.00 0.00 174.94 172.38 2daf s PRO 32 N 1.02 4.25 0.24 3.50 0.04 -1.26 -3.78 135.00 139.00 2daf s PRO 32 Ca -0.07 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.09 2daf s PRO 32 Cb -0.09 -3.67 -0.05 0.00 0.04 0.00 0.00 34.50 30.74 2daf s PRO 32 CO -0.06 -0.65 -0.19 0.12 0.04 0.00 0.00 177.00 176.25 2daf s PHE 33 N 2.82 2.10 -0.12 0.56 5.36 -1.19 -4.98 117.98 122.52 2daf s PHE 33 Ca 0.66 -0.41 -0.20 0.00 -0.96 0.00 0.00 56.93 56.02 2daf s PHE 33 Cb -0.32 -0.95 -0.04 0.00 -0.34 0.00 0.00 43.02 41.37 2daf s PHE 33 CO 0.27 0.56 0.57 0.15 -1.46 0.00 0.00 175.22 175.31 2daf s LYS 34 N -3.36 4.35 0.25 10.12 -0.14 -1.26 -2.26 119.74 127.43 2daf s LYS 34 Ca 0.25 0.61 0.11 0.00 -1.36 0.00 0.00 55.97 55.58 2daf s LYS 34 Cb -0.04 -3.47 0.23 0.00 -1.68 0.00 0.00 37.83 32.87 2daf s LYS 34 CO 0.11 0.06 1.52 -0.39 -0.76 0.00 0.00 175.35 175.90 2daf h VAL 35 N 4.82 1.37 -0.23 3.17 -1.51 -1.93 -2.96 116.25 118.96 2daf h VAL 35 Ca -0.39 -2.39 0.00 0.00 -1.23 0.00 0.00 66.70 62.69 2daf h VAL 35 Cb 1.18 2.33 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 2daf h VAL 35 CO 0.76 0.66 0.00 -0.90 -1.23 0.00 0.00 177.57 176.85 2daf n ASP 36 N -3.57 1.94 -4.17 4.19 5.68 -1.26 -3.18 116.55 116.18 2daf n ASP 36 Ca -0.00 -2.14 -0.28 0.00 -0.50 0.00 0.00 54.79 51.86 2daf n ASP 36 Cb 0.70 -0.35 -0.16 0.00 -1.14 0.00 0.00 41.12 40.17 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 -1.64 1.63 0.67 2.12 2.01 -1.12 -5.09 115.64 114.22 2daf s THR 37 Ca 0.18 -0.82 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 2daf s THR 37 Cb 0.11 -1.39 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 2daf s THR 37 CO 0.09 0.46 0.36 2.30 -0.69 0.00 0.00 174.62 177.14 2daf n ILE 38 N 3.12 1.55 0.22 1.82 -5.35 -1.26 -4.58 119.36 114.88 2daf n ILE 38 Ca -0.18 -0.44 0.06 0.00 -0.27 0.00 0.00 62.75 61.92 2daf n ILE 38 Cb 0.53 -0.58 0.49 0.00 -1.74 0.00 0.00 39.64 38.34 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 -0.20 0.00 -0.66 7.28 3.38 -1.46 -3.23 115.31 120.41 2daf h LEU 39 Ca -0.45 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2daf h LEU 39 Cb 1.37 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 2daf h LEU 39 CO 0.42 0.26 -0.48 0.50 0.09 0.00 0.00 178.44 179.24 2daf h LYS 40 N 0.00 -0.11 -0.78 1.13 3.11 -1.79 -0.80 116.57 117.33 2daf h LYS 40 Ca -0.00 0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.92 2daf h LYS 40 Cb 0.53 0.03 -0.09 0.00 -1.00 0.00 0.00 32.23 31.70 2daf h LYS 40 CO 0.03 -0.08 -0.46 0.66 -2.81 0.00 0.00 179.45 176.80 2daf n TYR 41 N -4.89 -0.34 -0.34 1.91 4.02 -1.22 0.15 117.16 116.44 2daf n TYR 41 Ca 0.00 0.98 0.04 0.00 -0.01 0.00 0.00 57.90 58.91 2daf n TYR 41 Cb 0.24 -0.56 0.20 0.00 -0.02 0.00 0.00 39.34 39.20 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 0.89 -0.42 7.72 5.85 -1.43 -1.70 115.31 126.23 2daf h LEU 42 Ca 0.13 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2daf h LEU 42 Cb 0.32 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2daf h LEU 42 CO -0.74 0.52 0.27 0.50 -0.34 0.00 0.00 178.44 178.65 2daf h LYS 43 N 1.00 0.55 0.39 1.25 3.64 0.27 -3.04 116.57 120.63 2daf h LYS 43 Ca 0.45 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.77 2daf h LYS 43 Cb 0.34 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2daf h LYS 43 CO -0.23 0.37 -0.23 0.22 -2.27 0.00 0.00 179.45 177.31 2daf h ASP 44 N 0.56 -0.58 -1.65 4.20 3.58 0.24 -1.03 116.42 121.74 2daf h ASP 44 Ca 0.15 0.03 0.51 0.00 0.42 0.00 0.00 57.03 58.14 2daf h ASP 44 Cb -0.05 0.17 -0.09 0.00 1.72 0.00 0.00 39.33 41.07 2daf h ASP 44 CO -0.03 -0.37 1.16 1.57 -2.88 0.00 0.00 179.24 178.68 2daf n HIS 45 N -5.36 0.24 -0.02 0.28 -0.00 -0.76 0.10 115.22 109.70 2daf n HIS 45 Ca -0.11 0.24 -0.22 0.00 0.46 0.00 0.00 57.72 58.10 2daf n HIS 45 Cb 0.27 -0.69 -0.13 0.00 -0.12 0.00 0.00 29.99 29.32 2daf n HIS 45 CO 0.00 0.00 0.00 0.74 0.46 0.00 0.00 176.34 177.54 2daf h PHE 46 N 0.00 0.35 -0.66 1.57 -1.00 -1.39 -3.22 116.94 112.59 2daf h PHE 46 Ca 0.86 -0.26 0.14 0.00 2.81 0.00 0.00 57.97 61.53 2daf h PHE 46 Cb 3.23 -0.01 -0.11 0.00 3.61 0.00 0.00 35.95 42.67 2daf h PHE 46 CO -0.00 1.64 0.03 0.66 -1.61 0.00 0.00 178.31 179.02 2daf h SER 47 N -0.32 -0.25 0.32 2.17 4.64 0.20 0.32 113.55 120.62 2daf h SER 47 Ca -0.37 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.10 2daf h SER 47 Cb 1.76 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 2daf h SER 47 CO 0.00 -0.12 -0.15 1.12 -0.87 0.00 0.00 176.83 176.81 2daf h HIS 48 N 0.13 -0.39 0.08 4.77 2.07 -1.41 0.57 115.15 120.97 2daf h HIS 48 Ca 0.35 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.88 2daf h HIS 48 Cb 0.59 0.13 -0.04 0.00 2.57 0.00 0.00 27.41 30.66 2daf h HIS 48 CO -0.36 -0.06 -0.47 1.25 -3.07 0.00 0.00 177.93 175.22 2daf h LEU 49 N -0.78 -1.42 -2.46 6.12 7.12 -1.41 -0.03 115.31 122.45 2daf h LEU 49 Ca -0.04 0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.11 2daf h LEU 49 Cb 0.51 0.53 -0.00 0.00 -0.53 0.00 0.00 40.66 41.17 2daf h LEU 49 CO 0.07 -0.49 -0.03 -0.07 -0.13 0.00 0.00 178.44 177.80 2daf h LEU 50 N -0.65 0.00 0.00 2.25 3.38 -0.48 -3.46 115.31 116.35 2daf h LEU 50 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2daf h LEU 50 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2daf h LEU 50 CO -0.27 0.03 0.00 0.61 0.09 0.00 0.00 178.44 178.90 2daf n GLY 51 N -0.91 2.59 3.87 0.83 0.00 0.09 -4.89 105.19 106.76 2daf n GLY 51 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.22 4.89 0.85 -0.61 -4.36 -0.59 -4.87 121.20 114.30 2daf s ILE 52 Ca 0.00 0.56 -0.11 0.00 -0.26 0.00 0.00 60.65 60.84 2daf s ILE 52 Cb 0.00 -3.62 0.10 0.00 1.25 0.00 0.00 42.46 40.20 2daf s ILE 52 CO 0.00 -0.08 1.09 -2.16 0.24 0.00 0.00 174.94 174.03 2daf s PRO 53 N -2.82 1.60 0.40 0.37 0.04 -1.26 -4.12 135.00 129.21 2daf s PRO 53 Ca 0.48 0.94 0.25 0.00 0.04 0.00 0.00 61.00 62.71 2daf s PRO 53 Cb -0.11 -1.84 0.61 0.00 0.04 0.00 0.00 34.50 33.20 2daf s PRO 53 CO 0.20 -2.03 1.70 1.12 0.04 0.00 0.00 177.00 178.03 2daf h HIS 54 N -1.40 0.00 -0.05 0.56 2.07 -1.90 -3.17 115.15 111.25 2daf h HIS 54 Ca -0.47 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 57.08 2daf h HIS 54 Cb 1.27 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.19 2daf h HIS 54 CO 0.48 0.00 -0.28 1.03 -3.07 0.00 0.00 177.93 176.09 2daf h SER 55 N 0.00 -0.85 -0.00 3.10 0.87 -2.00 -2.96 113.55 111.71 2daf h SER 55 Ca 0.00 0.12 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 2daf h SER 55 Cb 0.85 0.35 0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2daf h SER 55 CO 0.00 -0.34 -0.72 -0.37 -0.53 0.00 0.00 176.83 174.87 2daf h VAL 56 N -0.40 1.39 -3.34 2.23 -1.51 -1.97 -3.45 116.25 109.20 2daf h VAL 56 Ca 0.08 -2.12 -0.53 0.00 -1.23 0.00 0.00 66.70 62.90 2daf h VAL 56 Cb 0.51 2.53 0.05 0.00 -2.13 0.00 0.00 31.29 32.26 2daf h VAL 56 CO -0.28 0.63 0.76 -0.22 -1.23 0.00 0.00 177.57 177.24 2daf s LEU 57 N -8.28 4.38 0.24 4.19 2.96 -1.12 -1.84 118.68 119.21 2daf s LEU 57 Ca -0.12 2.65 0.00 0.00 -0.22 0.00 0.00 54.13 56.44 2daf s LEU 57 Cb 0.04 -3.62 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 2daf s LEU 57 CO 0.85 -0.71 0.11 -1.10 -1.32 0.00 0.00 176.35 174.18 2daf s GLN 58 N -0.24 1.34 -0.02 1.98 -1.52 0.14 -4.79 119.66 116.55 2daf s GLN 58 Ca 0.60 -1.72 0.04 0.00 -1.95 0.00 0.00 55.36 52.33 2daf s GLN 58 Cb -0.42 -0.09 -0.01 0.00 -0.22 0.00 0.00 33.01 32.28 2daf s GLN 58 CO 0.42 -0.32 -0.13 0.42 -0.25 0.00 0.00 175.29 175.43 2daf s ILE 59 N -3.89 1.06 -0.14 1.08 1.01 -1.26 -2.37 121.20 116.70 2daf s ILE 59 Ca 0.38 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.50 2daf s ILE 59 Cb 0.08 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.64 2daf s ILE 59 CO 0.13 0.31 -0.20 -0.60 0.00 0.00 0.00 174.94 174.58 2daf s ARG 60 N -0.11 3.12 -0.02 2.79 3.52 -0.39 -2.44 118.95 125.42 2daf s ARG 60 Ca 0.01 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 2daf s ARG 60 Cb -0.07 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2daf s ARG 60 CO 0.00 0.05 -0.07 -0.47 -0.81 0.00 0.00 175.30 174.00 2daf s TYR 61 N 0.69 0.81 -1.40 5.12 5.04 0.01 -1.42 117.35 126.20 2daf s TYR 61 Ca -0.09 -0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 2daf s TYR 61 Cb -0.16 -0.60 0.00 0.00 0.35 0.00 0.00 41.96 41.55 2daf s TYR 61 CO 0.01 -0.09 0.00 0.45 -1.34 0.00 0.00 175.55 174.58 2daf n SER 62 N 3.35 -4.63 -0.07 4.32 2.88 -1.26 0.18 113.62 118.38 2daf n SER 62 Ca -0.18 0.15 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 2daf n SER 62 Cb 0.54 -3.94 -0.00 0.00 -0.75 0.00 0.00 64.21 60.06 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 -0.80 0.49 3.67 0.46 0.00 -1.26 -5.02 105.19 102.73 2daf n GLY 63 Ca -0.18 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.98 2.06 -0.41 1.61 -2.85 0.13 -5.11 119.74 114.18 2daf s LYS 64 Ca 0.00 -2.10 -0.06 0.00 -1.00 0.00 0.00 55.97 52.81 2daf s LYS 64 Cb 0.00 -1.70 0.09 0.00 -2.06 0.00 0.00 37.83 34.16 2daf s LYS 64 CO 0.00 -0.13 0.23 0.42 0.10 0.00 0.00 175.35 175.97 2daf s ILE 65 N -2.72 3.76 0.92 3.79 -1.09 -1.26 -0.81 121.20 123.79 2daf s ILE 65 Ca 0.32 -1.70 -0.12 0.00 -2.23 0.00 0.00 60.65 56.92 2daf s ILE 65 Cb 0.07 -3.41 0.14 0.00 -1.58 0.00 0.00 42.46 37.69 2daf s ILE 65 CO 0.17 -0.57 1.11 -0.76 -1.23 0.00 0.00 174.94 173.66 2daf s LEU 66 N 1.29 2.00 0.41 2.97 1.43 -1.02 -5.01 118.68 120.76 2daf s LEU 66 Ca 0.04 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.30 2daf s LEU 66 Cb -0.23 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2daf s LEU 66 CO -0.01 -2.64 0.07 -0.54 0.23 0.00 0.00 176.35 173.47 2daf s LYS 67 N -5.14 1.91 -0.04 1.70 -0.14 -1.26 -4.64 119.74 112.13 2daf s LYS 67 Ca 0.64 -2.15 -0.16 0.00 -1.36 0.00 0.00 55.97 52.93 2daf s LYS 67 Cb -0.16 -0.95 -0.10 0.00 -1.68 0.00 0.00 37.83 34.93 2daf s LYS 67 CO 0.55 -0.34 0.69 -2.95 -0.76 0.00 0.00 175.35 172.53 2daf h ASN 68 N 1.78 -0.35 -0.79 2.83 7.08 -1.98 -3.26 115.58 120.89 2daf h ASN 68 Ca -0.39 -0.10 0.17 0.00 -3.08 0.00 0.00 56.30 52.89 2daf h ASN 68 Cb 1.27 0.09 -0.05 0.00 -2.08 0.00 0.00 38.32 37.55 2daf h ASN 68 CO 0.66 0.12 0.53 0.78 -2.08 0.00 0.00 177.43 177.44 2daf h ASN 69 N -1.04 0.36 -2.56 6.14 4.21 -1.98 -3.06 115.58 117.64 2daf h ASN 69 Ca -0.04 0.03 -0.37 0.00 1.21 0.00 0.00 56.30 57.12 2daf h ASN 69 Cb 0.43 -0.04 0.20 0.00 -1.12 0.00 0.00 38.32 37.79 2daf h ASN 69 CO 0.07 0.17 -0.43 -0.62 -1.29 0.00 0.00 177.43 175.33 2daf n GLU 70 N -4.47 -2.87 -3.73 0.81 -0.58 -1.23 -4.81 120.64 103.75 2daf n GLU 70 Ca 0.16 -0.84 -0.14 0.00 -0.42 0.00 0.00 57.16 55.93 2daf n GLU 70 Cb 0.60 -1.80 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 2daf n GLU 70 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2daf s THR 71 N -2.20 0.05 0.13 2.62 2.01 -1.26 -3.09 115.64 113.91 2daf s THR 71 Ca 0.57 -0.45 -0.18 0.00 0.31 0.00 0.00 61.69 61.94 2daf s THR 71 Cb -0.14 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2daf s THR 71 CO 0.56 -0.25 1.78 -0.07 -0.69 0.00 0.00 174.62 175.95 2daf h LEU 72 N 3.67 0.35 -2.21 4.42 -0.00 -1.81 -1.33 115.31 118.40 2daf h LEU 72 Ca -0.30 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.56 2daf h LEU 72 Cb 1.18 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 2daf h LEU 72 CO 0.41 0.27 0.00 -0.37 -0.00 0.00 0.00 178.44 178.75 2daf h VAL 73 N 0.39 0.00 0.00 1.22 -1.51 -1.72 -0.15 116.25 114.48 2daf h VAL 73 Ca 0.11 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2daf h VAL 73 Cb -0.02 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 2daf h VAL 73 CO -0.02 0.00 -0.36 1.56 -1.23 0.00 0.00 177.57 177.52 2daf h GLN 74 N 0.00 0.00 0.00 5.19 1.08 -1.57 -3.26 115.11 116.55 2daf h GLN 74 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2daf h GLN 74 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2daf h GLN 74 CO 0.00 0.00 -1.26 0.72 -0.95 0.00 0.00 178.83 177.34 2daf n HIS 75 N -2.80 0.11 0.00 2.96 8.25 -0.13 -4.98 115.22 118.63 2daf n HIS 75 Ca 0.03 0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2daf n HIS 75 Cb 0.52 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 1.38 0.70 3.13 -1.41 0.00 -0.83 -5.12 105.19 103.05 2daf n GLY 76 Ca 0.01 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.81 1.55 0.18 1.61 1.01 -0.99 -4.99 120.40 117.96 2daf s VAL 77 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2daf s VAL 77 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2daf s VAL 77 CO 0.00 0.45 0.31 -0.54 0.00 0.00 0.00 175.10 175.31 2daf s LYS 78 N 0.32 3.43 0.46 2.72 1.02 -1.26 -4.22 119.74 122.21 2daf s LYS 78 Ca -0.12 -0.65 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 2daf s LYS 78 Cb -0.15 -2.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.15 2daf s LYS 78 CO 0.05 0.49 1.16 -1.25 -0.92 0.00 0.00 175.35 174.88 2daf s PRO 79 N -3.48 3.75 -0.94 -1.68 0.04 -1.26 -3.52 135.00 127.92 2daf s PRO 79 Ca 0.34 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.10 2daf s PRO 79 Cb -0.10 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 32.04 2daf s PRO 79 CO 0.29 -0.56 0.69 1.04 0.04 0.00 0.00 177.00 178.50 2daf n GLN 80 N -0.50 -4.77 -4.64 4.56 6.02 -0.71 -4.89 117.38 112.46 2daf n GLN 80 Ca 0.07 0.56 -0.29 0.00 -0.01 0.00 0.00 57.00 57.34 2daf n GLN 80 Cb 0.48 -4.77 -0.10 0.00 1.02 0.00 0.00 30.24 26.87 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 -5.72 1.99 -0.11 -1.09 -1.05 -1.23 -4.83 118.70 106.66 2daf s GLU 81 Ca 0.34 -2.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.01 2daf s GLU 81 Cb -0.15 -1.58 -0.02 0.00 -0.44 0.00 0.00 34.13 31.94 2daf s GLU 81 CO 0.42 -0.11 -0.12 0.42 0.95 0.00 0.00 175.26 176.83 2daf s ILE 82 N -2.76 3.22 0.34 1.83 1.01 -1.25 0.86 121.20 124.44 2daf s ILE 82 Ca 0.30 -0.62 0.06 0.00 0.00 0.00 0.00 60.65 60.39 2daf s ILE 82 Cb 0.09 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2daf s ILE 82 CO 0.15 0.54 0.22 0.68 0.00 0.00 0.00 174.94 176.54 2daf s VAL 83 N 0.01 0.16 -0.09 2.92 -7.23 -0.61 -5.01 120.40 110.55 2daf s VAL 83 Ca -0.03 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.11 2daf s VAL 83 Cb -0.14 -2.46 0.04 0.00 0.56 0.00 0.00 36.38 34.39 2daf s VAL 83 CO 0.04 0.00 0.10 -1.58 -0.31 0.00 0.00 175.10 173.35 2daf s GLN 84 N -3.58 -0.01 0.39 4.82 0.74 -1.26 -2.16 119.66 118.60 2daf s GLN 84 Ca 0.36 0.33 0.05 0.00 0.05 0.00 0.00 55.36 56.15 2daf s GLN 84 Cb 0.03 -0.75 -0.07 0.00 1.10 0.00 0.00 33.01 33.32 2daf s GLN 84 CO 0.23 -0.41 0.03 0.14 -0.55 0.00 0.00 175.29 174.73 2daf s VAL 85 N 2.20 1.65 0.03 1.34 -7.23 0.26 -4.52 120.40 114.13 2daf s VAL 85 Ca 0.04 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.24 2daf s VAL 85 Cb -0.13 -2.86 -0.02 0.00 0.56 0.00 0.00 36.38 33.93 2daf s VAL 85 CO -0.05 0.00 -0.10 -1.61 -0.31 0.00 0.00 175.10 173.03 2daf s GLU 86 N -3.78 0.68 -0.05 4.82 2.02 -0.51 -2.46 118.70 119.42 2daf s GLU 86 Ca 0.33 -0.63 0.05 0.00 0.02 0.00 0.00 54.97 54.74 2daf s GLU 86 Cb 0.09 -0.60 -0.00 0.00 0.10 0.00 0.00 34.13 33.72 2daf s GLU 86 CO 0.16 0.14 -0.20 0.42 0.02 0.00 0.00 175.26 175.81 2daf s ILE 87 N -0.88 1.64 0.03 -1.63 1.01 -1.00 -1.26 121.20 119.11 2daf s ILE 87 Ca -0.02 -0.82 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 2daf s ILE 87 Cb -0.07 -1.40 0.08 0.00 0.01 0.00 0.00 42.46 41.07 2daf s ILE 87 CO 0.01 0.46 0.70 0.72 0.00 0.00 0.00 174.94 176.83 2daf s PHE 88 N 0.05 -0.56 -0.16 3.97 -0.12 -1.00 -2.18 117.98 117.99 2daf s PHE 88 Ca -0.06 0.68 -0.07 0.00 -0.05 0.00 0.00 56.93 57.43 2daf s PHE 88 Cb -0.13 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 2daf s PHE 88 CO 0.03 -0.68 0.06 0.45 -0.05 0.00 0.00 175.22 175.04 2daf s SER 89 N -1.93 5.68 0.25 1.98 0.15 -1.26 -0.69 113.70 117.88 2daf s SER 89 Ca -0.04 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 2daf s SER 89 Cb -0.01 -1.91 0.30 0.00 -1.71 0.00 0.00 66.02 62.70 2daf s SER 89 CO -0.02 0.24 1.75 0.71 1.20 0.00 0.00 173.24 177.12 2daf h THR 90 N 4.64 1.25 -3.29 6.45 1.35 -1.73 -3.32 112.91 118.25 2daf h THR 90 Ca -0.41 -1.01 -0.72 0.00 -0.55 0.00 0.00 66.41 63.72 2daf h THR 90 Cb 1.18 0.84 -0.35 0.00 -1.73 0.00 0.00 68.15 68.09 2daf h THR 90 CO 0.67 0.36 -0.01 0.59 -0.25 0.00 0.00 175.52 176.87 2daf n ASN 91 N -4.21 4.41 0.27 5.36 4.13 -1.26 -4.87 115.26 119.10 2daf n ASN 91 Ca 0.03 -3.14 0.16 0.00 1.68 0.00 0.00 54.58 53.31 2daf n ASN 91 Cb 0.30 -1.08 0.68 0.00 -1.54 0.00 0.00 39.78 38.14 2daf n ASN 91 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2daf h PRO 92 N 5.97 0.00 0.03 3.52 0.13 -1.76 0.20 132.00 140.09 2daf h PRO 92 Ca 0.17 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.07 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 0.89 0.04 -0.99 -0.44 -0.23 0.00 0.00 178.00 177.27 2daf h ASP 93 N 0.00 0.41 0.04 1.44 3.32 -1.94 -2.84 116.42 116.86 2daf h ASP 93 Ca -0.00 -0.36 -0.32 0.00 0.02 0.00 0.00 57.03 56.37 2daf h ASP 93 Cb 0.52 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 2daf h ASP 93 CO 0.00 1.18 -1.79 0.18 -1.72 0.00 0.00 179.24 177.09 2daf n LEU 94 N -3.67 2.23 -3.60 1.55 4.77 -1.10 -4.73 117.00 112.46 2daf n LEU 94 Ca -0.06 0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 55.94 2daf n LEU 94 Cb 0.87 -0.99 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2daf n LEU 94 CO 0.51 0.57 -0.17 -1.22 -1.33 0.00 0.00 177.39 175.75 2daf n TYR 95 N -3.99 1.23 -2.25 -1.77 4.02 0.68 -5.11 117.16 109.98 2daf n TYR 95 Ca -0.36 -3.82 -0.41 0.00 -0.01 0.00 0.00 57.90 53.30 2daf n TYR 95 Cb 0.86 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.93 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 -0.86 4.46 0.07 -0.72 0.04 -1.07 -4.37 135.00 132.56 2daf s PRO 96 Ca 0.30 2.06 -0.27 0.00 0.04 0.00 0.00 61.00 63.13 2daf s PRO 96 Cb 0.02 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.38 2daf s PRO 96 CO -0.17 -0.04 0.83 0.08 0.04 0.00 0.00 177.00 177.74 2daf s VAL 97 N -1.11 4.64 0.35 -0.36 1.01 -1.26 -4.98 120.40 118.69 2daf s VAL 97 Ca 0.47 1.78 0.09 0.00 0.00 0.00 0.00 61.98 64.33 2daf s VAL 97 Cb -0.37 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 31.76 2daf s VAL 97 CO 0.48 0.36 -0.07 -0.13 0.00 0.00 0.00 175.10 175.73 2daf s ARG 98 N -0.09 1.86 0.22 2.72 0.52 -1.26 -4.74 118.95 118.17 2daf s ARG 98 Ca 0.41 -1.93 -0.31 0.00 -0.52 0.00 0.00 55.73 53.38 2daf s ARG 98 Cb -0.22 -1.73 -0.11 0.00 0.52 0.00 0.00 34.95 33.42 2daf s ARG 98 CO 0.25 0.12 1.57 0.50 0.02 0.00 0.00 175.30 177.77 2daf s ARG 99 N -3.63 4.19 -0.16 3.54 3.00 -1.26 -4.87 118.95 119.76 2daf s ARG 99 Ca 0.33 2.43 -0.34 0.00 -1.00 0.00 0.00 55.73 57.16 2daf s ARG 99 Cb 0.03 -3.10 -0.11 0.00 0.00 0.00 0.00 34.95 31.76 2daf s ARG 99 CO 0.17 -0.60 1.98 -0.89 0.00 0.00 0.00 175.30 175.97 2daf n ILE 100 N 3.27 0.47 -2.45 4.11 2.08 -1.26 -4.96 119.36 120.62 2daf n ILE 100 Ca 0.12 -0.18 -0.15 0.00 0.56 0.00 0.00 62.75 63.09 2daf n ILE 100 Cb 0.38 -1.91 0.08 0.00 -0.75 0.00 0.00 39.64 37.44 2daf n ILE 100 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2daf n ASP 101 N 7.90 0.84 0.00 4.38 8.00 -1.26 -4.78 116.55 131.63 2daf n ASP 101 Ca 0.27 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 54.05 2daf n ASP 101 Cb 0.30 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2daf n GLY 102 N 0.01 1.77 3.59 0.44 0.00 -1.26 -4.86 105.19 104.89 2daf n GLY 102 Ca 0.11 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 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 3.49 0.63 0.99 2.01 -1.26 -4.98 118.68 119.55 2daf s LEU 103 Ca 0.00 1.07 -0.13 0.00 0.01 0.00 0.00 54.13 55.07 2daf s LEU 103 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 46.19 42.81 2daf s LEU 103 CO 0.00 -1.76 1.04 0.28 1.01 0.00 0.00 176.35 176.93 2daf s THR 104 N 6.93 4.11 0.92 5.49 -1.32 -1.26 -5.06 115.64 125.46 2daf s THR 104 Ca 0.74 0.83 -0.16 0.00 -1.21 0.00 0.00 61.69 61.90 2daf s THR 104 Cb -0.19 -3.50 0.22 0.00 -1.51 0.00 0.00 72.50 67.53 2daf s THR 104 CO 0.31 -0.75 0.96 0.47 -2.21 0.00 0.00 174.62 173.41 2daf n ASP 105 N -2.48 -1.17 -4.82 8.08 9.92 -1.26 -5.03 116.55 119.79 2daf n ASP 105 Ca 0.08 -1.17 -0.38 0.00 -0.53 0.00 0.00 54.79 52.79 2daf n ASP 105 Cb 0.53 -0.82 -0.06 0.00 -0.64 0.00 0.00 41.12 40.13 2daf n ASP 105 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2daf s VAL 106 N -2.89 5.10 -0.18 2.53 0.11 -1.26 -5.01 120.40 118.80 2daf s VAL 106 Ca 0.59 0.79 -0.17 0.00 -2.93 0.00 0.00 61.98 60.26 2daf s VAL 106 Cb -0.04 -3.70 -0.14 0.00 -1.53 0.00 0.00 36.38 30.97 2daf s VAL 106 CO 0.44 0.54 0.13 0.28 -3.33 0.00 0.00 175.10 173.16 2daf h SER 107 N 5.10 0.00 -5.00 3.54 0.02 -2.07 -3.49 113.55 111.64 2daf h SER 107 Ca -0.50 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.01 2daf h SER 107 Cb 1.21 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.56 2daf h SER 107 CO 0.64 1.17 0.08 -1.58 -1.14 0.00 0.00 176.83 176.00 2daf s GLN 108 N -2.27 0.98 0.16 3.45 0.74 -1.26 -5.18 119.66 116.29 2daf s GLN 108 Ca -0.22 0.10 0.08 0.00 0.05 0.00 0.00 55.36 55.36 2daf s GLN 108 Cb 0.04 0.46 -0.04 0.00 1.10 0.00 0.00 33.01 34.56 2daf s GLN 108 CO 0.45 -0.31 -0.17 0.96 -0.55 0.00 0.00 175.29 175.67 2daf s ILE 109 N -1.42 1.69 -0.03 -2.34 -4.36 -1.26 -5.15 121.20 108.33 2daf s ILE 109 Ca -0.11 -1.90 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 2daf s ILE 109 Cb -0.01 -1.79 0.07 0.00 1.25 0.00 0.00 42.46 41.98 2daf s ILE 109 CO 0.07 -0.37 0.66 -0.51 0.24 0.00 0.00 174.94 175.03 2daf s ILE 110 N -2.17 0.00 0.20 8.37 2.07 -1.26 -5.18 121.20 123.23 2daf s ILE 110 Ca 0.15 -0.01 0.11 0.00 -1.41 0.00 0.00 60.65 59.48 2daf s ILE 110 Cb -0.05 -0.99 -0.04 0.00 0.13 0.00 0.00 42.46 41.50 2daf s ILE 110 CO 0.06 -0.01 -0.22 -0.89 -1.91 0.00 0.00 174.94 171.97 2daf s THR 111 N -1.48 2.24 0.03 4.00 2.01 -1.26 -5.15 115.64 116.03 2daf s THR 111 Ca -0.10 -2.06 0.05 0.00 0.31 0.00 0.00 61.69 59.89 2daf s THR 111 Cb -0.00 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 2daf s THR 111 CO 0.07 -0.21 -0.16 0.54 -0.69 0.00 0.00 174.62 174.18 2daf s VAL 112 N -1.89 1.23 0.32 3.82 0.11 -1.26 -5.16 120.40 117.58 2daf s VAL 112 Ca 0.21 -0.98 0.04 0.00 -2.93 0.00 0.00 61.98 58.32 2daf s VAL 112 Cb -0.07 -1.09 -0.06 0.00 -1.53 0.00 0.00 36.38 33.63 2daf s VAL 112 CO 0.10 0.10 0.06 -0.94 -3.33 0.00 0.00 175.10 171.09 2daf s SER 113 N -1.01 2.33 0.00 3.54 1.04 -1.26 -5.16 113.70 113.18 2daf s SER 113 Ca 0.03 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.09 2daf s SER 113 Cb -0.08 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2daf s SER 113 CO 0.01 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.23 2daf n GLY 114 N -0.68 1.20 1.36 7.32 0.00 -1.26 -5.18 105.19 107.95 2daf n GLY 114 Ca -0.02 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.05 -1.85 -3.75 1.61 -0.04 -1.26 -5.10 135.00 124.55 2daf n PRO 115 Ca 0.00 -0.68 -0.06 0.00 -0.04 0.00 0.00 63.50 62.73 2daf n PRO 115 Cb 0.00 -0.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 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 -2.65 -0.24 0.32 3.54 1.04 -1.26 -5.19 113.70 109.25 2daf s SER 116 Ca 0.28 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.33 2daf s SER 116 Cb -0.03 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 2daf s SER 116 CO 0.21 -1.04 0.18 -0.44 0.98 0.00 0.00 173.24 173.14 2daf s SER 117 N -2.89 1.63 0.00 7.02 0.01 -1.26 -5.39 113.70 112.83 2daf s SER 117 Ca 0.11 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 55.75 2daf s SER 117 Cb -0.03 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.65 2daf s SER 117 CO 0.02 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.34