#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 -0.12 0.28 1.61 0.01 -1.26 -5.19 113.70 109.03 2daf s SER 2 Ca 0.00 -0.69 0.04 0.00 1.31 0.00 0.00 55.95 56.60 2daf s SER 2 Cb 0.00 0.64 -0.03 0.00 0.21 0.00 0.00 66.02 66.84 2daf s SER 2 CO 0.00 -1.23 0.24 -0.44 0.41 0.00 0.00 173.24 172.21 2daf s SER 3 N -3.06 1.07 0.17 2.44 0.01 -1.26 -5.18 113.70 107.90 2daf s SER 3 Ca 0.15 -1.60 0.03 0.00 1.31 0.00 0.00 55.95 55.83 2daf s SER 3 Cb -0.04 0.50 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 2daf s SER 3 CO 0.06 -0.99 0.09 0.61 0.41 0.00 0.00 173.24 173.42 2daf n GLY 4 N -0.49 3.62 3.33 3.44 0.00 -1.26 -5.18 105.19 108.66 2daf n GLY 4 Ca 0.05 -1.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.12 -0.33 0.31 1.61 1.04 -1.26 -5.18 113.70 107.77 2daf s SER 5 Ca 0.13 0.16 0.06 0.00 0.48 0.00 0.00 55.95 56.79 2daf s SER 5 Cb 0.01 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 66.48 2daf s SER 5 CO 0.09 -0.59 -0.03 -0.94 0.98 0.00 0.00 173.24 172.75 2daf s SER 6 N -1.64 2.89 0.00 7.02 1.04 -1.26 -5.09 113.70 116.67 2daf s SER 6 Ca -0.09 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.10 2daf s SER 6 Cb -0.02 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2daf s SER 6 CO 0.02 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2daf n GLY 7 N -0.66 1.18 3.29 7.32 0.00 -1.26 -5.19 105.19 109.87 2daf n GLY 7 Ca -0.05 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2daf n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2daf s GLN 8 N 0.00 0.84 0.50 1.61 -2.07 -1.26 -5.16 119.66 114.12 2daf s GLN 8 Ca 0.00 -0.37 -0.20 0.00 -1.82 0.00 0.00 55.36 52.97 2daf s GLN 8 Cb 0.00 0.37 -0.08 0.00 -1.09 0.00 0.00 33.01 32.21 2daf s GLN 8 CO 0.00 -0.27 1.04 -1.21 -1.32 0.00 0.00 175.29 173.52 2daf s GLU 9 N -2.29 3.76 -0.06 9.60 2.02 -1.26 -5.04 118.70 125.42 2daf s GLU 9 Ca -0.07 1.34 -0.09 0.00 0.02 0.00 0.00 54.97 56.17 2daf s GLU 9 Cb -0.01 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 2daf s GLU 9 CO -0.01 -0.46 0.24 -1.54 0.02 0.00 0.00 175.26 173.50 2daf s SER 10 N -2.08 6.53 -0.01 -0.19 1.04 -1.26 -5.10 113.70 112.64 2daf s SER 10 Ca 0.67 0.63 0.01 0.00 0.48 0.00 0.00 55.95 57.73 2daf s SER 10 Cb -0.16 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2daf s SER 10 CO 0.22 0.36 -0.02 -0.69 0.98 0.00 0.00 173.24 174.08 2daf s VAL 11 N -1.09 0.21 -0.71 5.02 1.01 -1.26 -5.10 120.40 118.48 2daf s VAL 11 Ca 0.20 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.13 2daf s VAL 11 Cb -0.14 -0.20 0.17 0.00 0.00 0.00 0.00 36.38 36.21 2daf s VAL 11 CO 0.09 0.07 0.51 -1.83 0.00 0.00 0.00 175.10 173.94 2daf s GLU 12 N 0.10 2.53 -0.14 2.72 1.03 -1.26 -5.05 118.70 118.63 2daf s GLU 12 Ca -0.01 -3.29 0.01 0.00 0.03 0.00 0.00 54.97 51.71 2daf s GLU 12 Cb -0.03 -3.48 0.02 0.00 -0.80 0.00 0.00 34.13 29.84 2daf s GLU 12 CO -0.00 -1.27 -0.15 -0.51 -1.33 0.00 0.00 175.26 171.99 2daf s ASP 13 N -1.21 2.71 -1.22 0.83 1.11 -1.26 -4.75 116.67 112.88 2daf s ASP 13 Ca 0.25 -0.50 -0.02 0.00 0.18 0.00 0.00 52.55 52.46 2daf s ASP 13 Cb -0.06 -1.21 0.00 0.00 1.07 0.00 0.00 42.92 42.72 2daf s ASP 13 CO -0.15 -0.03 1.03 -1.20 1.18 0.00 0.00 175.17 176.00 2daf n SER 14 N 4.63 -3.02 -4.77 0.27 7.64 -1.26 -4.84 113.62 112.26 2daf n SER 14 Ca -0.18 -0.59 -0.39 0.00 1.01 0.00 0.00 58.87 58.72 2daf n SER 14 Cb 0.50 -5.04 -0.06 0.00 -1.01 0.00 0.00 64.21 58.60 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 -6.51 4.43 -0.03 -3.43 1.43 -1.26 -2.77 118.68 110.54 2daf s LEU 15 Ca 0.13 1.13 0.05 0.00 -1.03 0.00 0.00 54.13 54.41 2daf s LEU 15 Cb -0.06 -2.86 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 2daf s LEU 15 CO 0.72 0.14 -0.17 0.00 0.23 0.00 0.00 176.35 177.27 2daf s ALA 16 N -0.35 1.48 -0.36 4.21 0.00 -0.09 -0.64 121.76 126.01 2daf s ALA 16 Ca 0.29 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 51.26 2daf s ALA 16 Cb -0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 2daf s ALA 16 CO 0.16 0.32 2.08 0.99 0.00 0.00 0.00 175.76 179.31 2daf s THR 17 N -0.20 3.20 -0.23 0.00 2.01 0.13 -2.76 115.64 117.80 2daf s THR 17 Ca 0.02 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2daf s THR 17 Cb -0.09 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.10 2daf s THR 17 CO 0.01 -0.25 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.93 2daf s VAL 18 N 8.75 2.99 -0.20 3.82 1.01 -1.24 -1.89 120.40 133.64 2daf s VAL 18 Ca 0.89 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 2daf s VAL 18 Cb -0.24 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2daf s VAL 18 CO 0.31 0.33 0.40 -0.54 0.00 0.00 0.00 175.10 175.60 2daf s LYS 19 N 1.39 4.17 -0.16 2.72 1.02 -1.12 -3.15 119.74 124.60 2daf s LYS 19 Ca 0.03 0.20 -0.06 0.00 0.02 0.00 0.00 55.97 56.16 2daf s LYS 19 Cb -0.15 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 2daf s LYS 19 CO -0.05 -0.05 0.04 0.08 -0.92 0.00 0.00 175.35 174.45 2daf s VAL 20 N 1.36 4.64 -0.10 3.17 1.01 0.31 -0.31 120.40 130.48 2daf s VAL 20 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 62.11 2daf s VAL 20 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2daf s VAL 20 CO 0.08 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.76 2daf s VAL 21 N 0.10 1.97 -0.12 2.92 1.01 -0.24 -0.57 120.40 125.47 2daf s VAL 21 Ca 0.04 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.78 2daf s VAL 21 Cb -0.12 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2daf s VAL 21 CO 0.01 0.54 0.94 -0.76 0.00 0.00 0.00 175.10 175.83 2daf s LEU 22 N 0.40 4.24 -0.02 3.92 1.43 -0.39 -1.11 118.68 127.14 2daf s LEU 22 Ca -0.18 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 2daf s LEU 22 Cb -0.18 -3.44 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 2daf s LEU 22 CO 0.08 -0.41 0.88 0.40 0.23 0.00 0.00 176.35 177.53 2daf h ILE 23 N 5.09 0.29 -0.13 -0.59 1.08 -1.63 0.96 117.51 122.57 2daf h ILE 23 Ca -0.31 -0.64 -0.12 0.00 -0.39 0.00 0.00 64.86 63.39 2daf h ILE 23 Cb 1.15 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2daf h ILE 23 CO 0.84 0.06 -0.45 1.55 -0.69 0.00 0.00 178.15 179.46 2daf h PRO 24 N -1.05 0.31 0.00 2.37 0.13 -1.93 -3.33 132.00 128.51 2daf h PRO 24 Ca -0.06 -0.16 -0.14 0.00 -0.87 0.00 0.00 66.00 64.77 2daf h PRO 24 Cb 0.52 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 2daf h PRO 24 CO 0.09 0.71 -0.87 0.28 -0.23 0.00 0.00 178.00 177.98 2daf h VAL 25 N 0.25 0.78 0.00 1.56 2.07 -1.84 -3.49 116.25 115.59 2daf h VAL 25 Ca 0.02 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2daf h VAL 25 Cb 0.90 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2daf h VAL 25 CO 0.07 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.54 2daf n GLY 26 N 1.51 0.72 3.86 2.17 0.00 0.33 -5.00 105.19 108.79 2daf n GLY 26 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.70 3.79 -0.09 1.61 0.74 -1.25 -4.71 119.66 119.05 2daf s GLN 27 Ca 0.00 0.75 0.01 0.00 0.05 0.00 0.00 55.36 56.17 2daf s GLN 27 Cb 0.00 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.90 2daf s GLN 27 CO 0.00 -0.31 -0.10 -1.21 -0.55 0.00 0.00 175.29 173.12 2daf s GLU 28 N -4.40 2.98 -0.00 1.67 8.01 -1.26 -1.26 118.70 124.43 2daf s GLU 28 Ca 0.56 -0.62 0.03 0.00 0.01 0.00 0.00 54.97 54.95 2daf s GLU 28 Cb -0.10 -2.59 -0.01 0.00 -4.31 0.00 0.00 34.13 27.12 2daf s GLU 28 CO 0.39 0.48 -0.10 0.42 0.01 0.00 0.00 175.26 176.46 2daf s ILE 29 N -0.32 0.76 -0.15 -1.63 1.01 0.27 -5.01 121.20 116.12 2daf s ILE 29 Ca 0.04 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.23 2daf s ILE 29 Cb -0.13 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.70 2daf s ILE 29 CO 0.02 0.18 -0.17 -0.69 0.00 0.00 0.00 174.94 174.28 2daf s VAL 30 N -0.30 2.50 -0.18 2.92 1.01 -1.26 -0.53 120.40 124.55 2daf s VAL 30 Ca 0.03 -0.83 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 2daf s VAL 30 Cb -0.04 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.36 2daf s VAL 30 CO -0.00 0.53 0.44 -0.51 0.00 0.00 0.00 175.10 175.56 2daf s ILE 31 N 0.78 -0.01 -0.10 2.22 2.07 -1.19 -5.04 121.20 119.93 2daf s ILE 31 Ca -0.07 0.05 -0.29 0.00 -1.41 0.00 0.00 60.65 58.93 2daf s ILE 31 Cb -0.15 -0.64 -0.04 0.00 0.13 0.00 0.00 42.46 41.75 2daf s ILE 31 CO 0.00 0.02 1.53 -2.16 -1.91 0.00 0.00 174.94 172.42 2daf s PRO 32 N 0.94 4.18 0.10 3.50 0.04 -1.26 -3.60 135.00 138.89 2daf s PRO 32 Ca -0.06 1.99 0.09 0.00 0.04 0.00 0.00 61.00 63.07 2daf s PRO 32 Cb -0.06 -3.92 -0.03 0.00 0.04 0.00 0.00 34.50 30.53 2daf s PRO 32 CO -0.08 -0.82 -0.24 0.12 0.04 0.00 0.00 177.00 176.01 2daf s PHE 33 N 3.93 2.10 0.17 0.56 5.36 -1.11 -4.92 117.98 124.06 2daf s PHE 33 Ca 0.67 -0.40 -0.28 0.00 -0.96 0.00 0.00 56.93 55.96 2daf s PHE 33 Cb -0.29 -1.17 -0.08 0.00 -0.34 0.00 0.00 43.02 41.14 2daf s PHE 33 CO 0.25 0.23 0.89 0.15 -1.46 0.00 0.00 175.22 175.28 2daf s LYS 34 N -1.77 4.71 0.00 10.12 1.02 -1.26 -0.91 119.74 131.65 2daf s LYS 34 Ca 0.11 1.35 0.29 0.00 0.02 0.00 0.00 55.97 57.74 2daf s LYS 34 Cb -0.10 -3.31 1.22 0.00 -0.52 0.00 0.00 37.83 35.12 2daf s LYS 34 CO 0.04 0.44 1.87 1.33 -0.92 0.00 0.00 175.35 178.11 2daf n VAL 35 N 1.95 0.00 0.40 3.17 0.24 -1.11 -3.26 118.33 119.72 2daf n VAL 35 Ca -0.02 -0.04 0.05 0.00 -2.04 0.00 0.00 64.34 62.29 2daf n VAL 35 Cb 0.48 -0.19 0.04 0.00 -1.47 0.00 0.00 33.84 32.70 2daf n VAL 35 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2daf n ASP 36 N -1.13 1.75 -4.56 -1.34 2.03 -1.26 -2.54 116.55 109.50 2daf n ASP 36 Ca 0.13 -1.38 -0.36 0.00 0.52 0.00 0.00 54.79 53.70 2daf n ASP 36 Cb 0.28 0.03 -0.11 0.00 -0.72 0.00 0.00 41.12 40.61 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2daf s THR 37 N -0.83 4.68 0.28 5.18 2.01 -1.20 -5.02 115.64 120.74 2daf s THR 37 Ca 0.11 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 61.80 2daf s THR 37 Cb 0.08 -3.16 -0.16 0.00 0.01 0.00 0.00 72.50 69.27 2daf s THR 37 CO 0.13 0.39 0.39 2.30 -0.69 0.00 0.00 174.62 177.13 2daf n ILE 38 N 4.26 1.53 0.22 1.82 -5.35 -1.26 -4.75 119.36 115.83 2daf n ILE 38 Ca -0.16 -0.50 0.13 0.00 -0.27 0.00 0.00 62.75 61.95 2daf n ILE 38 Cb 0.52 -0.06 0.65 0.00 -1.74 0.00 0.00 39.64 39.01 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 0.80 0.00 -0.56 7.28 3.38 -1.35 -2.80 115.31 122.05 2daf h LEU 39 Ca -0.32 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.76 2daf h LEU 39 Cb 1.44 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 2daf h LEU 39 CO 0.53 0.00 0.09 0.50 0.09 0.00 0.00 178.44 179.65 2daf h LYS 40 N 0.00 0.21 -0.15 1.13 3.11 -1.86 -1.11 116.57 117.89 2daf h LYS 40 Ca 0.00 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.85 2daf h LYS 40 Cb 0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.22 2daf h LYS 40 CO 0.00 0.14 -0.21 1.88 -2.81 0.00 0.00 179.45 178.44 2daf h TYR 41 N 0.21 -0.65 -0.76 1.91 -1.99 -1.83 0.32 116.97 114.18 2daf h TYR 41 Ca 0.29 0.03 0.14 0.00 2.00 0.00 0.00 58.73 61.19 2daf h TYR 41 Cb 0.43 0.31 -0.05 0.00 2.00 0.00 0.00 36.73 39.42 2daf h TYR 41 CO -0.27 -0.19 0.50 1.25 -0.00 0.00 0.00 178.16 179.46 2daf h LEU 42 N -0.16 0.45 -0.62 3.88 5.85 -1.72 -0.47 115.31 122.53 2daf h LEU 42 Ca 0.03 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2daf h LEU 42 Cb 0.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2daf h LEU 42 CO -0.23 0.24 0.27 0.50 -0.34 0.00 0.00 178.44 178.89 2daf h LYS 43 N 0.48 0.90 -0.03 1.25 3.64 0.34 -3.00 116.57 120.16 2daf h LYS 43 Ca 0.37 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2daf h LYS 43 Cb 0.76 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2daf h LYS 43 CO -0.13 0.74 -0.02 0.22 -2.27 0.00 0.00 179.45 178.00 2daf h ASP 44 N 0.85 0.07 -1.22 4.20 3.58 0.11 -1.08 116.42 122.93 2daf h ASP 44 Ca 0.21 -0.44 0.39 0.00 0.42 0.00 0.00 57.03 57.61 2daf h ASP 44 Cb 0.16 -0.02 -0.12 0.00 1.72 0.00 0.00 39.33 41.06 2daf h ASP 44 CO -0.02 0.49 0.77 -0.74 -2.88 0.00 0.00 179.24 176.86 2daf h HIS 45 N -0.35 0.60 0.00 0.28 2.76 -1.17 1.02 115.15 118.28 2daf h HIS 45 Ca 0.01 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.01 2daf h HIS 45 Cb 0.47 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 2daf h HIS 45 CO 0.08 -0.16 -1.42 0.74 -1.30 0.00 0.00 177.93 175.87 2daf h PHE 46 N 0.17 0.00 -0.51 5.26 -1.00 -1.43 -3.18 116.94 116.25 2daf h PHE 46 Ca 0.76 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.45 2daf h PHE 46 Cb 2.25 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 41.79 2daf h PHE 46 CO -0.01 0.67 -0.06 0.66 -1.61 0.00 0.00 178.31 177.96 2daf h SER 47 N 0.00 0.89 0.09 2.17 4.64 0.23 -1.68 113.55 119.90 2daf h SER 47 Ca -0.18 -0.26 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2daf h SER 47 Cb 1.66 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 2daf h SER 47 CO 0.06 0.99 -0.04 1.12 -0.87 0.00 0.00 176.83 178.08 2daf h HIS 48 N 0.82 -0.11 -0.16 4.77 2.07 -1.05 -1.74 115.15 119.77 2daf h HIS 48 Ca 0.14 -0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.71 2daf h HIS 48 Cb 0.58 0.04 -0.07 0.00 2.57 0.00 0.00 27.41 30.53 2daf h HIS 48 CO 0.03 0.37 -0.39 1.25 -3.07 0.00 0.00 177.93 176.12 2daf h LEU 49 N -0.94 -1.24 -0.78 6.12 7.12 -1.60 -1.70 115.31 122.29 2daf h LEU 49 Ca -0.01 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 2daf h LEU 49 Cb 0.52 0.51 -0.04 0.00 -0.53 0.00 0.00 40.66 41.13 2daf h LEU 49 CO 0.02 -0.40 0.43 -0.07 -0.13 0.00 0.00 178.44 178.28 2daf h LEU 50 N -0.45 0.98 0.00 2.25 3.38 -1.45 -3.47 115.31 116.55 2daf h LEU 50 Ca 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2daf h LEU 50 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2daf h LEU 50 CO -0.40 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.54 2daf n GLY 51 N -1.09 0.60 3.81 0.83 0.00 -0.64 -4.94 105.19 103.76 2daf n GLY 51 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 4.72 0.30 -0.61 -4.36 -0.87 -4.97 121.20 113.41 2daf s ILE 52 Ca 0.00 -0.72 -0.29 0.00 -0.26 0.00 0.00 60.65 59.38 2daf s ILE 52 Cb 0.00 -3.30 -0.10 0.00 1.25 0.00 0.00 42.46 40.31 2daf s ILE 52 CO 0.00 0.10 1.23 -2.16 0.24 0.00 0.00 174.94 174.35 2daf s PRO 53 N -2.50 4.46 0.17 0.37 0.04 -1.26 -4.42 135.00 131.85 2daf s PRO 53 Ca 0.31 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.51 2daf s PRO 53 Cb -0.12 -3.13 0.57 0.00 0.04 0.00 0.00 34.50 31.86 2daf s PRO 53 CO 0.24 -0.05 1.30 -2.39 0.04 0.00 0.00 177.00 176.13 2daf n HIS 54 N 1.15 0.36 0.28 0.56 1.44 -1.26 -2.45 115.22 115.30 2daf n HIS 54 Ca 0.00 0.19 -0.16 0.00 -2.01 0.00 0.00 57.72 55.74 2daf n HIS 54 Cb 0.43 -0.77 -0.08 0.00 0.12 0.00 0.00 29.99 29.69 2daf n HIS 54 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 2daf h SER 55 N 0.00 -0.74 0.84 4.39 0.02 -1.99 -2.88 113.55 113.19 2daf h SER 55 Ca 0.00 0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2daf h SER 55 Cb 0.07 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2daf h SER 55 CO 0.00 -0.47 -0.57 -0.37 -1.14 0.00 0.00 176.83 174.28 2daf h VAL 56 N -0.75 1.22 -3.60 2.27 -1.51 -1.88 -3.44 116.25 108.56 2daf h VAL 56 Ca -0.06 -2.09 -0.51 0.00 -1.23 0.00 0.00 66.70 62.81 2daf h VAL 56 Cb 0.61 2.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.94 2daf h VAL 56 CO 0.06 0.56 0.34 -0.22 -1.23 0.00 0.00 177.57 177.09 2daf s LEU 57 N -7.17 4.53 0.26 4.19 2.96 -1.09 -1.23 118.68 121.12 2daf s LEU 57 Ca 0.00 1.81 0.01 0.00 -0.22 0.00 0.00 54.13 55.73 2daf s LEU 57 Cb 0.11 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2daf s LEU 57 CO 0.74 -0.01 0.13 -1.10 -1.32 0.00 0.00 176.35 174.79 2daf s GLN 58 N -0.28 1.41 -0.00 1.98 -1.52 -0.54 -4.81 119.66 115.89 2daf s GLN 58 Ca 0.45 -1.77 0.05 0.00 -1.95 0.00 0.00 55.36 52.14 2daf s GLN 58 Cb -0.24 -0.07 -0.01 0.00 -0.22 0.00 0.00 33.01 32.47 2daf s GLN 58 CO 0.30 -0.37 -0.17 0.42 -0.25 0.00 0.00 175.29 175.22 2daf s ILE 59 N -3.82 1.34 -0.06 1.08 1.01 -1.26 -3.16 121.20 116.32 2daf s ILE 59 Ca 0.38 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2daf s ILE 59 Cb 0.07 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 41.41 2daf s ILE 59 CO 0.15 0.33 -0.20 -0.60 0.00 0.00 0.00 174.94 174.61 2daf s ARG 60 N -0.53 2.19 -0.15 2.79 3.52 -0.81 -3.26 118.95 122.70 2daf s ARG 60 Ca 0.06 -0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 54.82 2daf s ARG 60 Cb -0.07 -1.82 0.04 0.00 -1.56 0.00 0.00 34.95 31.54 2daf s ARG 60 CO -0.00 0.25 0.40 -0.47 -0.81 0.00 0.00 175.30 174.67 2daf s TYR 61 N 0.10 -0.46 -1.42 5.12 5.04 -0.91 -1.56 117.35 123.26 2daf s TYR 61 Ca -0.07 1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 55.65 2daf s TYR 61 Cb -0.14 0.17 0.01 0.00 0.35 0.00 0.00 41.96 42.35 2daf s TYR 61 CO 0.04 -0.23 0.11 0.43 -1.34 0.00 0.00 175.55 174.56 2daf n SER 62 N 3.07 -4.93 0.00 4.32 7.64 -1.26 -0.19 113.62 122.26 2daf n SER 62 Ca -0.15 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2daf n SER 62 Cb 0.57 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.65 2daf n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daf n GLY 63 N -1.00 0.27 3.22 0.23 0.00 -1.26 -4.96 105.19 101.68 2daf n GLY 63 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.00 2.02 0.19 1.61 -2.85 0.73 -5.12 119.74 115.32 2daf s LYS 64 Ca 0.00 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 53.90 2daf s LYS 64 Cb 0.00 -1.81 -0.08 0.00 -2.06 0.00 0.00 37.83 33.88 2daf s LYS 64 CO 0.00 0.38 1.18 0.42 0.10 0.00 0.00 175.35 177.43 2daf s ILE 65 N -0.26 3.58 0.23 3.79 -1.09 -1.26 -2.14 121.20 124.05 2daf s ILE 65 Ca 0.01 1.36 0.07 0.00 -2.23 0.00 0.00 60.65 59.86 2daf s ILE 65 Cb -0.11 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2daf s ILE 65 CO 0.01 0.23 0.15 -0.76 -1.23 0.00 0.00 174.94 173.34 2daf s LEU 66 N -0.37 3.72 0.24 2.97 1.43 -1.20 -4.97 118.68 120.49 2daf s LEU 66 Ca 0.52 -0.28 0.10 0.00 -1.03 0.00 0.00 54.13 53.43 2daf s LEU 66 Cb -0.32 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.58 2daf s LEU 66 CO 0.37 -0.01 -0.07 -0.54 0.23 0.00 0.00 176.35 176.34 2daf s LYS 67 N -3.63 2.12 0.05 1.70 1.02 -1.26 -4.68 119.74 115.06 2daf s LYS 67 Ca 0.32 -1.41 -0.31 0.00 0.02 0.00 0.00 55.97 54.59 2daf s LYS 67 Cb -0.08 -2.11 -0.16 0.00 -0.52 0.00 0.00 37.83 34.96 2daf s LYS 67 CO 0.24 0.39 1.46 -2.95 -0.92 0.00 0.00 175.35 173.56 2daf h ASN 68 N 2.32 -0.98 -0.23 2.83 7.08 -1.97 -1.98 115.58 122.64 2daf h ASN 68 Ca -0.45 0.04 0.07 0.00 -3.08 0.00 0.00 56.30 52.89 2daf h ASN 68 Cb 1.23 0.27 -0.01 0.00 -2.08 0.00 0.00 38.32 37.74 2daf h ASN 68 CO 0.58 -0.65 0.61 -1.13 -2.08 0.00 0.00 177.43 174.76 2daf h ASN 69 N -1.06 0.00 -3.97 6.14 -0.73 -1.97 -2.86 115.58 111.13 2daf h ASN 69 Ca -0.10 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.58 2daf h ASN 69 Cb 0.83 0.00 0.03 0.00 0.27 0.00 0.00 38.32 39.45 2daf h ASN 69 CO 0.14 0.00 0.26 -1.61 -0.37 0.00 0.00 177.43 175.85 2daf s GLU 70 N -4.25 3.71 0.37 6.67 8.01 -0.75 -4.88 118.70 127.59 2daf s GLU 70 Ca -0.03 0.60 0.05 0.00 0.01 0.00 0.00 54.97 55.60 2daf s GLU 70 Cb 0.09 -2.24 -0.07 0.00 -4.31 0.00 0.00 34.13 27.61 2daf s GLU 70 CO 0.31 -0.28 0.04 0.95 0.01 0.00 0.00 175.26 176.29 2daf s THR 71 N -2.75 1.47 0.20 3.63 -4.23 -1.26 -2.86 115.64 109.85 2daf s THR 71 Ca 0.53 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.00 2daf s THR 71 Cb -0.10 -2.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.91 2daf s THR 71 CO 0.41 0.00 1.57 -0.07 -0.54 0.00 0.00 174.62 175.99 2daf h LEU 72 N 1.93 0.73 -0.84 4.79 -0.00 -1.85 -3.08 115.31 116.99 2daf h LEU 72 Ca -0.42 -0.31 0.01 0.00 -0.00 0.00 0.00 57.88 57.15 2daf h LEU 72 Cb 1.25 -0.20 -0.04 0.00 -0.00 0.00 0.00 40.66 41.66 2daf h LEU 72 CO 0.74 1.02 0.55 -0.37 -0.00 0.00 0.00 178.44 180.37 2daf h VAL 73 N 0.58 1.22 0.00 1.22 -1.51 -1.67 -0.24 116.25 115.85 2daf h VAL 73 Ca 0.06 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.11 2daf h VAL 73 Cb 0.88 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.04 2daf h VAL 73 CO 0.08 0.22 0.00 0.00 -1.23 0.00 0.00 177.57 176.63 2daf n GLN 74 N -4.49 0.04 -0.00 5.19 1.13 -1.16 -1.22 117.38 116.87 2daf n GLN 74 Ca 0.09 0.42 0.07 0.00 -1.94 0.00 0.00 57.00 55.64 2daf n GLN 74 Cb 0.02 -1.60 -0.10 0.00 0.11 0.00 0.00 30.24 28.68 2daf n GLN 74 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2daf n HIS 75 N -1.67 0.00 0.00 1.08 8.25 -0.21 -5.01 115.22 117.66 2daf n HIS 75 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2daf n HIS 75 Cb 0.09 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 1.47 0.78 2.86 -1.41 0.00 -0.36 -5.11 105.19 103.42 2daf n GLY 76 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.56 0.11 0.19 1.61 1.01 -1.07 -4.96 120.40 115.72 2daf s VAL 77 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2daf s VAL 77 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.20 2daf s VAL 77 CO 0.00 0.07 0.14 -1.59 0.00 0.00 0.00 175.10 173.72 2daf s LYS 78 N 0.35 2.87 0.32 2.72 -2.85 -1.26 -4.26 119.74 117.64 2daf s LYS 78 Ca -0.03 -0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 53.72 2daf s LYS 78 Cb -0.05 -2.60 -0.10 0.00 -2.06 0.00 0.00 37.83 33.02 2daf s LYS 78 CO -0.01 0.46 1.22 -1.25 0.10 0.00 0.00 175.35 175.87 2daf s PRO 79 N -3.27 4.40 -0.39 1.78 0.04 -1.26 -3.65 135.00 132.64 2daf s PRO 79 Ca 0.31 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.37 2daf s PRO 79 Cb -0.09 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2daf s PRO 79 CO 0.23 -0.08 0.33 1.04 0.04 0.00 0.00 177.00 178.57 2daf n GLN 80 N 0.82 -2.24 -4.45 4.56 6.02 0.18 -4.93 117.38 117.34 2daf n GLN 80 Ca 0.00 0.25 -0.22 0.00 -0.01 0.00 0.00 57.00 57.03 2daf n GLN 80 Cb 0.43 -3.53 -0.11 0.00 1.02 0.00 0.00 30.24 28.06 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 -4.94 1.63 -0.14 -1.09 -1.05 -1.24 -4.86 118.70 107.01 2daf s GLU 81 Ca 0.10 -1.88 -0.02 0.00 -0.15 0.00 0.00 54.97 53.01 2daf s GLU 81 Cb -0.04 -0.99 -0.02 0.00 -0.44 0.00 0.00 34.13 32.63 2daf s GLU 81 CO 0.22 -0.11 -0.07 0.42 0.95 0.00 0.00 175.26 176.67 2daf s ILE 82 N -3.18 3.62 0.25 1.83 1.01 -1.26 0.19 121.20 123.66 2daf s ILE 82 Ca 0.34 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.57 2daf s ILE 82 Cb 0.07 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2daf s ILE 82 CO 0.14 0.52 0.23 1.33 0.00 0.00 0.00 174.94 177.16 2daf n VAL 83 N 3.36 0.00 -3.62 2.92 0.24 -0.79 -5.03 118.33 115.41 2daf n VAL 83 Ca -0.18 -1.74 -0.14 0.00 -2.04 0.00 0.00 64.34 60.24 2daf n VAL 83 Cb 0.53 0.89 -0.13 0.00 -1.47 0.00 0.00 33.84 33.66 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 -2.94 0.15 0.04 7.34 0.74 -1.26 -2.81 119.66 120.92 2daf s GLN 84 Ca 0.28 0.64 0.08 0.00 0.05 0.00 0.00 55.36 56.41 2daf s GLN 84 Cb 0.01 -0.26 -0.02 0.00 1.10 0.00 0.00 33.01 33.83 2daf s GLN 84 CO 0.20 -0.36 -0.22 0.14 -0.55 0.00 0.00 175.29 174.50 2daf s VAL 85 N 2.40 1.76 0.24 1.34 -7.23 0.58 -4.71 120.40 114.79 2daf s VAL 85 Ca 0.03 -1.21 0.06 0.00 -1.81 0.00 0.00 61.98 59.05 2daf s VAL 85 Cb -0.13 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.26 2daf s VAL 85 CO -0.09 0.27 0.27 -1.61 -0.31 0.00 0.00 175.10 173.62 2daf s GLU 86 N -1.12 3.17 0.00 4.82 0.41 -0.60 -1.08 118.70 124.29 2daf s GLU 86 Ca 0.08 -0.90 0.01 0.00 -0.41 0.00 0.00 54.97 53.75 2daf s GLU 86 Cb -0.09 -2.72 -0.00 0.00 -1.78 0.00 0.00 34.13 29.53 2daf s GLU 86 CO 0.02 0.42 -0.03 0.42 -0.49 0.00 0.00 175.26 175.60 2daf s ILE 87 N -2.03 0.25 0.24 -1.63 1.01 -0.26 -1.92 121.20 116.86 2daf s ILE 87 Ca 0.33 -0.20 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 2daf s ILE 87 Cb -0.09 -0.23 0.03 0.00 0.01 0.00 0.00 42.46 42.19 2daf s ILE 87 CO 0.27 0.03 0.75 0.72 0.00 0.00 0.00 174.94 176.71 2daf s PHE 88 N -0.17 -0.22 -0.09 3.97 -0.12 -1.19 -1.56 117.98 118.61 2daf s PHE 88 Ca 0.00 -0.19 0.05 0.00 -0.05 0.00 0.00 56.93 56.74 2daf s PHE 88 Cb -0.02 0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 43.05 2daf s PHE 88 CO -0.00 -1.12 -0.24 0.45 -0.05 0.00 0.00 175.22 174.25 2daf s SER 89 N -2.90 3.11 0.51 1.98 0.15 -1.26 -1.47 113.70 113.82 2daf s SER 89 Ca 0.10 -0.54 0.19 0.00 0.70 0.00 0.00 55.95 56.40 2daf s SER 89 Cb -0.05 -1.23 1.30 0.00 -1.71 0.00 0.00 66.02 64.33 2daf s SER 89 CO 0.04 0.19 2.11 0.71 1.20 0.00 0.00 173.24 177.49 2daf h THR 90 N 5.49 0.92 -3.03 6.45 1.35 -1.52 -3.29 112.91 119.28 2daf h THR 90 Ca -0.23 -0.26 -0.62 0.00 -0.55 0.00 0.00 66.41 64.75 2daf h THR 90 Cb 1.22 1.14 -0.41 0.00 -1.73 0.00 0.00 68.15 68.37 2daf h THR 90 CO 0.47 0.07 -0.64 0.20 -0.25 0.00 0.00 175.52 175.37 2daf s ASN 91 N -6.80 4.29 0.36 5.36 -0.87 -1.26 -4.92 114.94 111.09 2daf s ASN 91 Ca -0.04 -3.59 0.15 0.00 -1.57 0.00 0.00 52.86 47.80 2daf s ASN 91 Cb 0.16 -1.46 0.68 0.00 -0.02 0.00 0.00 41.25 40.62 2daf s ASN 91 CO 0.65 -0.12 1.77 1.55 -2.57 0.00 0.00 177.10 178.38 2daf h PRO 92 N 5.63 0.00 -0.08 -0.60 0.13 -1.72 0.25 132.00 135.62 2daf h PRO 92 Ca 0.13 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.23 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 0.66 0.41 -0.07 -0.44 -0.23 0.00 0.00 178.00 178.33 2daf h ASP 93 N 0.00 0.19 0.12 1.44 3.32 -1.93 -1.62 116.42 117.93 2daf h ASP 93 Ca -0.00 -0.47 -0.17 0.00 0.02 0.00 0.00 57.03 56.40 2daf h ASP 93 Cb 0.81 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 40.32 2daf h ASP 93 CO 0.05 0.63 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.39 2daf h LEU 94 N -0.24 0.45 -6.61 1.55 3.38 -1.97 -3.41 115.31 108.46 2daf h LEU 94 Ca 0.01 -0.93 -0.60 0.00 0.09 0.00 0.00 57.88 56.45 2daf h LEU 94 Cb 0.57 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 40.78 2daf h LEU 94 CO 0.02 1.35 -0.85 -0.31 0.09 0.00 0.00 178.44 178.73 2daf s TYR 95 N -2.52 1.71 0.84 1.13 1.51 0.89 -5.13 117.35 115.77 2daf s TYR 95 Ca -0.14 -2.51 -0.11 0.00 -1.01 0.00 0.00 57.07 53.30 2daf s TYR 95 Cb 0.01 -1.42 0.09 0.00 -0.11 0.00 0.00 41.96 40.54 2daf s TYR 95 CO 0.82 -0.76 1.09 -1.25 -1.11 0.00 0.00 175.55 174.34 2daf s PRO 96 N -0.17 1.75 -0.18 -1.71 0.04 -0.61 -4.16 135.00 129.95 2daf s PRO 96 Ca 0.28 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 2daf s PRO 96 Cb -0.03 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 2daf s PRO 96 CO -0.15 -1.95 0.07 0.08 0.04 0.00 0.00 177.00 175.09 2daf s VAL 97 N -2.92 4.88 0.25 -0.36 1.01 -1.26 -4.92 120.40 117.07 2daf s VAL 97 Ca 0.62 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 62.69 2daf s VAL 97 Cb -0.18 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2daf s VAL 97 CO 0.56 0.46 -0.00 -0.13 0.00 0.00 0.00 175.10 175.99 2daf s ARG 98 N 0.34 2.32 0.71 2.72 1.81 -1.26 -4.69 118.95 120.90 2daf s ARG 98 Ca 0.04 -1.35 -0.13 0.00 -1.72 0.00 0.00 55.73 52.57 2daf s ARG 98 Cb -0.12 -2.20 0.03 0.00 -0.45 0.00 0.00 34.95 32.20 2daf s ARG 98 CO -0.00 0.38 1.10 -0.98 -0.68 0.00 0.00 175.30 175.12 2daf s ARG 99 N -3.52 2.53 -0.32 3.54 1.70 -1.26 -4.95 118.95 116.67 2daf s ARG 99 Ca 0.30 1.29 -0.17 0.00 -0.47 0.00 0.00 55.73 56.69 2daf s ARG 99 Cb -0.07 -1.92 -0.02 0.00 -0.57 0.00 0.00 34.95 32.37 2daf s ARG 99 CO 0.20 -1.45 0.44 0.42 -1.08 0.00 0.00 175.30 173.83 2daf s ILE 100 N -2.60 5.10 0.31 4.99 -1.09 -1.26 -5.00 121.20 121.65 2daf s ILE 100 Ca 0.64 0.39 -0.29 0.00 -2.23 0.00 0.00 60.65 59.16 2daf s ILE 100 Cb -0.19 -3.85 -0.12 0.00 -1.58 0.00 0.00 42.46 36.72 2daf s ILE 100 CO 0.48 -0.06 1.37 0.47 -1.23 0.00 0.00 174.94 175.97 2daf n ASP 101 N 5.53 2.96 0.00 3.58 8.00 -1.26 -4.93 116.55 130.43 2daf n ASP 101 Ca -0.07 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.62 2daf n ASP 101 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 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 1.24 4.38 3.70 0.44 0.00 -1.26 -5.10 105.19 108.59 2daf n GLY 102 Ca 0.07 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 4.38 0.20 0.99 2.96 -1.26 -5.00 118.68 120.95 2daf s LEU 103 Ca 0.00 2.73 0.09 0.00 -0.22 0.00 0.00 54.13 56.73 2daf s LEU 103 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 2daf s LEU 103 CO 0.00 -0.95 -0.18 0.42 -1.32 0.00 0.00 176.35 174.32 2daf s THR 104 N 1.95 1.96 -0.86 3.68 -4.23 -1.26 -5.07 115.64 111.81 2daf s THR 104 Ca 0.76 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.19 2daf s THR 104 Cb -0.46 -2.00 0.31 0.00 1.34 0.00 0.00 72.50 71.69 2daf s THR 104 CO 0.33 -0.39 1.32 -0.90 -0.54 0.00 0.00 174.62 174.45 2daf n ASP 105 N -0.05 5.75 -4.88 3.99 5.75 -1.26 -5.03 116.55 120.83 2daf n ASP 105 Ca -0.10 -3.58 -0.22 0.00 -0.01 0.00 0.00 54.79 50.88 2daf n ASP 105 Cb 0.58 -0.95 -0.04 0.00 -1.03 0.00 0.00 41.12 39.69 2daf n ASP 105 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2daf s VAL 106 N -3.66 4.75 -0.21 2.12 -7.23 -1.26 -5.13 120.40 109.78 2daf s VAL 106 Ca 0.40 -1.24 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 2daf s VAL 106 Cb 0.17 -3.57 0.06 0.00 0.56 0.00 0.00 36.38 33.60 2daf s VAL 106 CO -0.05 -0.33 0.52 -0.44 -0.31 0.00 0.00 175.10 174.48 2daf s SER 107 N -3.87 -0.63 -0.50 4.85 0.01 -1.26 -5.12 113.70 107.19 2daf s SER 107 Ca 0.33 1.10 -0.01 0.00 1.31 0.00 0.00 55.95 58.69 2daf s SER 107 Cb -0.08 1.03 0.13 0.00 0.21 0.00 0.00 66.02 67.30 2daf s SER 107 CO 0.26 -0.20 0.28 0.00 0.41 0.00 0.00 173.24 173.99 2daf s GLN 108 N 1.04 2.12 -0.35 12.44 0.00 -1.26 -4.93 119.66 128.72 2daf s GLN 108 Ca -0.06 -2.23 0.06 0.00 -0.00 0.00 0.00 55.36 53.13 2daf s GLN 108 Cb -0.06 -3.53 0.46 0.00 0.00 0.00 0.00 33.01 29.88 2daf s GLN 108 CO -0.09 -1.10 1.34 0.44 0.00 0.00 0.00 175.29 175.88 2daf n ILE 109 N 3.88 2.71 -3.47 3.63 -5.35 -1.26 -5.01 119.36 114.49 2daf n ILE 109 Ca 0.04 -3.95 -0.10 0.00 -0.27 0.00 0.00 62.75 58.47 2daf n ILE 109 Cb 0.38 -1.10 -0.02 0.00 -1.74 0.00 0.00 39.64 37.16 2daf n ILE 109 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 2daf s ILE 110 N -4.57 0.00 -0.47 7.28 2.07 -1.26 -5.05 121.20 119.20 2daf s ILE 110 Ca 0.53 -0.01 -0.04 0.00 -1.41 0.00 0.00 60.65 59.71 2daf s ILE 110 Cb 0.43 -1.02 0.02 0.00 0.13 0.00 0.00 42.46 42.02 2daf s ILE 110 CO 0.03 0.00 2.87 1.07 -1.91 0.00 0.00 174.94 176.99 2daf n THR 111 N -0.32 3.44 -1.64 4.00 5.66 -1.26 -4.98 114.28 119.19 2daf n THR 111 Ca -0.13 -2.89 -0.51 0.00 -3.05 0.00 0.00 64.05 57.47 2daf n THR 111 Cb 0.63 -1.70 -0.05 0.00 -1.55 0.00 0.00 70.33 67.66 2daf n THR 111 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 2daf n VAL 112 N 1.20 0.11 -4.21 1.08 3.14 -1.26 -4.97 118.33 113.42 2daf n VAL 112 Ca 0.49 -0.02 -0.23 0.00 -2.96 0.00 0.00 64.34 61.63 2daf n VAL 112 Cb 0.57 -1.22 -0.07 0.00 -1.06 0.00 0.00 33.84 32.07 2daf n VAL 112 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 2daf s SER 113 N 1.49 4.69 0.00 6.55 0.15 -1.26 -5.08 113.70 120.25 2daf s SER 113 Ca 0.86 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2daf s SER 113 Cb -0.86 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2daf s SER 113 CO 0.48 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2daf n GLY 114 N -1.01 -1.53 3.73 9.45 0.00 -1.26 -5.17 105.19 109.40 2daf n GLY 114 Ca -0.05 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.42 2daf n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2daf s PRO 115 N 0.00 1.53 0.09 1.61 0.04 -1.26 -5.07 135.00 131.94 2daf s PRO 115 Ca 0.00 0.91 0.09 0.00 0.04 0.00 0.00 61.00 62.04 2daf s PRO 115 Cb 0.00 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2daf s PRO 115 CO 0.00 -2.08 -0.24 -1.12 0.04 0.00 0.00 177.00 173.60 2daf s SER 116 N -3.42 2.95 0.03 6.66 0.01 -1.26 -5.06 113.70 113.61 2daf s SER 116 Ca 0.63 -0.67 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 2daf s SER 116 Cb -0.18 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.83 2daf s SER 116 CO 0.57 0.16 -0.07 -0.24 0.41 0.00 0.00 173.24 174.06 2daf n SER 117 N 1.25 1.12 0.00 2.44 2.88 -1.26 -5.30 113.62 114.75 2daf n SER 117 Ca -0.18 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2daf n SER 117 Cb 0.53 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 2daf n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42