#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 7.41 -1.44 1.61 1.04 -1.26 -3.77 113.70 117.29 2daf s SER 2 Ca 0.00 1.87 -0.15 0.00 0.48 0.00 0.00 55.95 58.15 2daf s SER 2 Cb 0.00 -2.59 0.15 0.00 0.10 0.00 0.00 66.02 63.68 2daf s SER 2 CO 0.00 -0.14 0.38 -1.20 0.98 0.00 0.00 173.24 173.26 2daf n SER 3 N 2.81 -0.99 -3.29 7.02 7.64 -1.26 -4.82 113.62 120.73 2daf n SER 3 Ca 0.03 -0.99 -0.26 0.00 1.01 0.00 0.00 58.87 58.65 2daf n SER 3 Cb 0.48 -1.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.35 2daf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2daf n GLY 4 N -1.22 4.61 3.34 0.23 0.00 -1.25 -5.10 105.19 105.81 2daf n GLY 4 Ca 0.02 -2.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.19 2daf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2daf s SER 5 N -2.45 -0.62 -0.11 1.61 0.01 -1.26 -4.20 113.70 106.68 2daf s SER 5 Ca 0.41 1.09 -0.03 0.00 1.31 0.00 0.00 55.95 58.72 2daf s SER 5 Cb 0.18 -1.61 -0.05 0.00 0.21 0.00 0.00 66.02 64.75 2daf s SER 5 CO -0.05 -5.12 -0.12 -0.24 0.41 0.00 0.00 173.24 168.12 2daf n SER 6 N -5.50 1.60 -2.69 2.44 2.88 -1.26 -4.98 113.62 106.12 2daf n SER 6 Ca 0.09 0.07 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 2daf n SER 6 Cb 0.58 -0.26 0.09 0.00 -0.75 0.00 0.00 64.21 63.87 2daf n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2daf n GLY 7 N 2.56 -1.00 2.93 0.46 0.00 -1.26 -5.14 105.19 103.74 2daf n GLY 7 Ca -0.20 0.66 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 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 0.18 1.16 1.04 1.61 2.00 -1.26 -5.14 119.66 119.25 2daf s GLN 8 Ca 0.24 -0.20 -0.12 0.00 -2.00 0.00 0.00 55.36 53.27 2daf s GLN 8 Cb 0.26 -1.11 0.21 0.00 0.80 0.00 0.00 33.01 33.17 2daf s GLN 8 CO -0.15 -0.08 1.07 -1.21 -0.50 0.00 0.00 175.29 174.43 2daf s GLU 9 N 0.99 0.13 -0.96 1.67 2.02 -1.26 -4.92 118.70 116.37 2daf s GLU 9 Ca -0.09 0.68 -0.22 0.00 0.02 0.00 0.00 54.97 55.36 2daf s GLU 9 Cb -0.14 -1.69 0.07 0.00 0.10 0.00 0.00 34.13 32.47 2daf s GLU 9 CO 0.00 -2.98 1.32 -1.12 0.02 0.00 0.00 175.26 172.50 2daf s SER 10 N -3.15 6.50 -0.16 -0.19 0.01 -1.26 -4.98 113.70 110.48 2daf s SER 10 Ca 0.66 -1.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 2daf s SER 10 Cb -0.21 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 2daf s SER 10 CO 0.60 -1.39 -0.11 0.68 0.41 0.00 0.00 173.24 173.42 2daf s VAL 11 N 4.29 3.03 -0.37 3.43 -7.23 -1.26 -5.01 120.40 117.27 2daf s VAL 11 Ca 0.40 -0.65 0.09 0.00 -1.81 0.00 0.00 61.98 60.02 2daf s VAL 11 Cb -0.03 -2.30 0.44 0.00 0.56 0.00 0.00 36.38 35.05 2daf s VAL 11 CO -0.07 0.50 1.10 1.21 -0.31 0.00 0.00 175.10 177.53 2daf n GLU 12 N 4.01 2.96 -0.05 4.82 2.13 -1.26 -4.80 120.64 128.45 2daf n GLU 12 Ca -0.18 -4.14 -0.21 0.00 0.66 0.00 0.00 57.16 53.28 2daf n GLU 12 Cb 0.52 -2.04 -0.13 0.00 0.27 0.00 0.00 31.44 30.06 2daf n GLU 12 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2daf h ASP 13 N 2.56 0.19 0.03 4.31 3.32 -2.02 -3.40 116.42 121.41 2daf h ASP 13 Ca 0.22 -0.72 -0.05 0.00 0.02 0.00 0.00 57.03 56.50 2daf h ASP 13 Cb 1.14 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.63 2daf h ASP 13 CO 0.72 1.58 -0.21 0.28 -1.72 0.00 0.00 179.24 179.89 2daf h SER 14 N -0.59 0.12 -1.59 6.45 0.02 -1.96 -3.37 113.55 112.64 2daf h SER 14 Ca -0.33 -0.98 -0.63 0.00 -0.84 0.00 0.00 61.79 59.00 2daf h SER 14 Cb 1.56 -0.04 0.14 0.00 0.14 0.00 0.00 62.40 64.21 2daf h SER 14 CO -0.06 1.09 -0.72 0.18 -1.14 0.00 0.00 176.83 176.18 2daf n LEU 15 N -4.49 -1.88 -4.27 5.07 4.77 -1.26 -3.80 117.00 111.14 2daf n LEU 15 Ca -0.11 0.93 -0.23 0.00 -0.03 0.00 0.00 56.01 56.57 2daf n LEU 15 Cb 0.56 -0.94 -0.12 0.00 -2.33 0.00 0.00 43.42 40.58 2daf n LEU 15 CO 0.38 -3.59 -0.51 0.00 -1.33 0.00 0.00 177.39 172.34 2daf s ALA 16 N -1.43 1.70 -0.69 -1.18 0.00 -0.42 -2.50 121.76 117.24 2daf s ALA 16 Ca 0.61 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 51.11 2daf s ALA 16 Cb -0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 2daf s ALA 16 CO 0.60 0.33 1.68 0.99 0.00 0.00 0.00 175.76 179.37 2daf s THR 17 N -1.16 3.49 -0.37 0.00 2.01 0.08 -2.01 115.64 117.68 2daf s THR 17 Ca 0.05 0.16 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 2daf s THR 17 Cb -0.10 -4.28 0.04 0.00 0.01 0.00 0.00 72.50 68.17 2daf s THR 17 CO 0.04 -1.23 0.19 -0.69 -0.69 0.00 0.00 174.62 172.24 2daf s VAL 18 N 8.04 4.36 0.05 3.82 1.01 -1.23 -1.91 120.40 134.53 2daf s VAL 18 Ca 0.57 -1.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2daf s VAL 18 Cb -0.10 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2daf s VAL 18 CO 0.16 -0.27 1.05 -0.54 0.00 0.00 0.00 175.10 175.50 2daf s LYS 19 N 1.50 4.55 -0.19 2.72 1.02 -1.16 -3.40 119.74 124.78 2daf s LYS 19 Ca 0.01 1.55 0.01 0.00 0.02 0.00 0.00 55.97 57.56 2daf s LYS 19 Cb -0.20 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.74 2daf s LYS 19 CO 0.05 -0.05 -0.17 0.08 -0.92 0.00 0.00 175.35 174.34 2daf s VAL 20 N 0.74 2.23 -0.12 3.17 1.01 0.11 -1.75 120.40 125.78 2daf s VAL 20 Ca 0.53 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2daf s VAL 20 Cb -0.25 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2daf s VAL 20 CO 0.29 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 175.01 2daf s VAL 21 N 1.29 2.79 -0.06 2.92 1.01 -0.99 0.12 120.40 127.48 2daf s VAL 21 Ca 0.04 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2daf s VAL 21 Cb -0.14 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 2daf s VAL 21 CO -0.11 0.53 1.05 -0.76 0.00 0.00 0.00 175.10 175.81 2daf s LEU 22 N 0.38 4.29 -0.02 3.92 1.43 -0.17 -2.23 118.68 126.28 2daf s LEU 22 Ca -0.12 1.64 -0.21 0.00 -1.03 0.00 0.00 54.13 54.40 2daf s LEU 22 Cb -0.16 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.37 2daf s LEU 22 CO 0.06 -0.43 0.91 0.40 0.23 0.00 0.00 176.35 177.52 2daf h ILE 23 N 4.98 0.28 -0.25 -0.59 1.08 -1.70 0.95 117.51 122.26 2daf h ILE 23 Ca -0.34 -0.61 -0.14 0.00 -0.39 0.00 0.00 64.86 63.37 2daf h ILE 23 Cb 1.17 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 2daf h ILE 23 CO 0.83 0.06 -0.42 1.55 -0.69 0.00 0.00 178.15 179.48 2daf h PRO 24 N -1.05 0.61 0.05 2.37 0.13 -1.92 -3.31 132.00 128.88 2daf h PRO 24 Ca -0.06 -0.32 -0.17 0.00 -0.87 0.00 0.00 66.00 64.59 2daf h PRO 24 Cb 0.53 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2daf h PRO 24 CO 0.10 0.92 -0.86 0.28 -0.23 0.00 0.00 178.00 178.20 2daf h VAL 25 N 0.50 1.29 0.00 1.56 2.07 -1.82 -3.48 116.25 116.36 2daf h VAL 25 Ca 0.04 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2daf h VAL 25 Cb 0.94 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.55 2daf h VAL 25 CO 0.08 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.85 2daf n GLY 26 N 1.60 1.12 3.77 2.17 0.00 0.33 -4.99 105.19 109.19 2daf n GLY 26 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.54 4.63 0.24 1.61 0.74 -1.25 -4.64 119.66 120.45 2daf s GLN 27 Ca 0.00 1.45 -0.05 0.00 0.05 0.00 0.00 55.36 56.81 2daf s GLN 27 Cb 0.00 -2.96 -0.05 0.00 1.10 0.00 0.00 33.01 31.10 2daf s GLN 27 CO 0.00 0.30 0.50 -2.00 -0.55 0.00 0.00 175.29 173.54 2daf s GLU 28 N -1.77 3.64 -0.11 1.67 2.12 -1.26 -1.00 118.70 121.99 2daf s GLU 28 Ca 0.48 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.74 2daf s GLU 28 Cb -0.23 -2.71 0.05 0.00 0.26 0.00 0.00 34.13 31.51 2daf s GLU 28 CO 0.29 0.30 0.25 0.42 -0.54 0.00 0.00 175.26 175.97 2daf s ILE 29 N -1.94 -0.16 -0.26 -3.70 1.01 0.33 -4.97 121.20 111.51 2daf s ILE 29 Ca 0.43 0.19 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 2daf s ILE 29 Cb -0.11 -0.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 2daf s ILE 29 CO 0.27 0.08 0.07 -0.69 0.00 0.00 0.00 174.94 174.68 2daf s VAL 30 N 1.63 4.26 -0.11 2.92 1.01 -1.26 0.08 120.40 128.92 2daf s VAL 30 Ca -0.06 -0.25 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 2daf s VAL 30 Cb -0.11 -3.02 0.05 0.00 0.00 0.00 0.00 36.38 33.30 2daf s VAL 30 CO -0.08 0.30 0.26 -0.51 0.00 0.00 0.00 175.10 175.07 2daf s ILE 31 N 1.60 -0.04 -0.18 2.22 2.07 -1.22 -5.03 121.20 120.62 2daf s ILE 31 Ca 0.06 0.13 -0.29 0.00 -1.41 0.00 0.00 60.65 59.14 2daf s ILE 31 Cb -0.15 -0.40 -0.03 0.00 0.13 0.00 0.00 42.46 42.00 2daf s ILE 31 CO 0.03 0.05 1.59 -2.16 -1.91 0.00 0.00 174.94 172.54 2daf s PRO 32 N 1.19 3.91 0.02 3.50 0.04 -1.26 -3.48 135.00 138.92 2daf s PRO 32 Ca -0.09 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.76 2daf s PRO 32 Cb -0.10 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 2daf s PRO 32 CO -0.08 -1.15 -0.12 0.12 0.04 0.00 0.00 177.00 175.81 2daf s PHE 33 N 4.80 2.74 -0.07 0.56 5.36 -0.85 -4.84 117.98 125.67 2daf s PHE 33 Ca 0.70 -0.14 -0.30 0.00 -0.96 0.00 0.00 56.93 56.23 2daf s PHE 33 Cb -0.26 -1.54 -0.03 0.00 -0.34 0.00 0.00 43.02 40.85 2daf s PHE 33 CO 0.28 0.32 1.15 0.15 -1.46 0.00 0.00 175.22 175.65 2daf s LYS 34 N -1.43 4.37 0.29 10.12 -0.14 -1.26 -1.30 119.74 130.39 2daf s LYS 34 Ca 0.16 1.60 0.02 0.00 -1.36 0.00 0.00 55.97 56.39 2daf s LYS 34 Cb -0.11 -3.56 0.46 0.00 -1.68 0.00 0.00 37.83 32.94 2daf s LYS 34 CO 0.07 -0.42 1.78 -0.39 -0.76 0.00 0.00 175.35 175.62 2daf h VAL 35 N 5.05 1.24 -0.06 3.17 -1.51 -1.93 -2.65 116.25 119.55 2daf h VAL 35 Ca -0.33 -1.07 -0.12 0.00 -1.23 0.00 0.00 66.70 63.95 2daf h VAL 35 Cb 1.15 1.14 -0.01 0.00 -2.13 0.00 0.00 31.29 31.44 2daf h VAL 35 CO 0.88 0.35 -0.53 -0.78 -1.23 0.00 0.00 177.57 176.26 2daf h ASP 36 N 0.50 0.18 -3.36 4.19 1.82 -1.93 -2.81 116.42 115.02 2daf h ASP 36 Ca 0.09 -0.09 -0.53 0.00 -0.39 0.00 0.00 57.03 56.11 2daf h ASP 36 Cb 0.53 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.49 2daf h ASP 36 CO 0.03 0.67 0.50 -0.89 -1.61 0.00 0.00 179.24 177.95 2daf s THR 37 N -3.88 4.08 0.99 2.25 2.01 -1.00 -4.88 115.64 115.21 2daf s THR 37 Ca -0.03 1.59 -0.18 0.00 0.31 0.00 0.00 61.69 63.38 2daf s THR 37 Cb 0.13 -4.02 0.04 0.00 0.01 0.00 0.00 72.50 68.66 2daf s THR 37 CO 0.78 0.18 -0.30 2.30 -0.69 0.00 0.00 174.62 176.89 2daf n ILE 38 N 3.32 0.00 0.11 1.82 -5.35 -1.26 -4.42 119.36 113.58 2daf n ILE 38 Ca 0.06 -0.11 -0.02 0.00 -0.27 0.00 0.00 62.75 62.41 2daf n ILE 38 Cb 0.47 -0.36 0.07 0.00 -1.74 0.00 0.00 39.64 38.08 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2daf h LEU 39 N -2.00 0.00 -0.09 7.28 3.38 -1.58 -3.33 115.31 118.97 2daf h LEU 39 Ca -0.35 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.64 2daf h LEU 39 Cb 1.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.74 2daf h LEU 39 CO 0.23 0.72 -0.45 0.50 0.09 0.00 0.00 178.44 179.53 2daf h LYS 40 N 0.00 -0.49 -0.76 1.13 3.64 -1.85 -0.80 116.57 117.45 2daf h LYS 40 Ca -0.01 0.03 0.27 0.00 -1.27 0.00 0.00 60.65 59.68 2daf h LYS 40 Cb 1.35 0.11 -0.14 0.00 -0.41 0.00 0.00 32.23 33.15 2daf h LYS 40 CO 0.09 -0.32 0.24 0.66 -2.27 0.00 0.00 179.45 177.85 2daf n TYR 41 N -4.95 0.71 -0.06 1.91 4.02 -1.25 0.20 117.16 117.74 2daf n TYR 41 Ca -0.05 0.90 -0.11 0.00 -0.01 0.00 0.00 57.90 58.63 2daf n TYR 41 Cb 0.32 -1.21 -0.05 0.00 -0.02 0.00 0.00 39.34 38.38 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 0.28 -1.18 7.72 5.85 -1.35 -2.17 115.31 124.46 2daf h LEU 42 Ca 0.57 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 2daf h LEU 42 Cb 1.38 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2daf h LEU 42 CO -0.64 0.43 -0.05 0.07 -0.34 0.00 0.00 178.44 177.91 2daf h LYS 43 N 0.11 0.00 0.00 1.25 2.10 0.26 -2.79 116.57 117.51 2daf h LYS 43 Ca 0.06 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.59 2daf h LYS 43 Cb 0.26 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.57 2daf h LYS 43 CO 0.00 0.05 -0.57 0.22 -2.00 0.00 0.00 179.45 177.15 2daf h ASP 44 N 0.00 0.00 0.62 7.07 1.82 0.47 -0.99 116.42 125.41 2daf h ASP 44 Ca -0.00 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.53 2daf h ASP 44 Cb 0.64 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.63 2daf h ASP 44 CO 0.01 0.57 -0.51 -0.74 -1.61 0.00 0.00 179.24 176.96 2daf h HIS 45 N 0.00 0.00 0.01 0.28 2.76 -1.11 -3.07 115.15 114.02 2daf h HIS 45 Ca -0.01 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.84 2daf h HIS 45 Cb 1.26 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.16 2daf h HIS 45 CO 0.00 0.51 -1.97 1.19 -1.30 0.00 0.00 177.93 176.35 2daf n PHE 46 N -3.79 0.66 0.22 5.26 3.72 -1.18 -3.45 117.46 118.90 2daf n PHE 46 Ca -0.01 0.23 0.07 0.00 -0.05 0.00 0.00 57.45 57.69 2daf n PHE 46 Cb 0.55 -1.12 0.60 0.00 -0.94 0.00 0.00 39.48 38.57 2daf n PHE 46 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2daf h SER 47 N 0.00 0.07 0.00 4.37 4.64 -1.16 -0.49 113.55 120.98 2daf h SER 47 Ca -0.39 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.86 2daf h SER 47 Cb 2.09 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 64.15 2daf h SER 47 CO 0.06 0.06 -0.48 1.12 -0.87 0.00 0.00 176.83 176.72 2daf h HIS 48 N 0.08 0.00 -0.14 4.77 2.07 -1.69 -2.79 115.15 117.44 2daf h HIS 48 Ca 0.02 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 57.59 2daf h HIS 48 Cb 0.00 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 29.92 2daf h HIS 48 CO 0.00 0.68 -0.34 1.25 -3.07 0.00 0.00 177.93 176.45 2daf h LEU 49 N -1.00 -1.06 -1.36 6.12 7.12 -1.56 -0.89 115.31 122.68 2daf h LEU 49 Ca -0.10 0.15 -0.04 0.00 0.13 0.00 0.00 57.88 58.02 2daf h LEU 49 Cb 0.75 0.45 -0.02 0.00 -0.53 0.00 0.00 40.66 41.31 2daf h LEU 49 CO -0.06 -0.37 -0.01 -0.07 -0.13 0.00 0.00 178.44 177.80 2daf h LEU 50 N -0.41 0.38 0.00 2.25 3.38 -1.28 -3.46 115.31 116.17 2daf h LEU 50 Ca 0.10 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2daf h LEU 50 Cb 0.56 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2daf h LEU 50 CO -0.37 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.22 2daf n GLY 51 N -0.98 1.26 3.87 0.83 0.00 -0.34 -4.98 105.19 104.85 2daf n GLY 51 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.34 4.85 0.88 -0.61 -4.36 -1.07 -4.92 121.20 113.62 2daf s ILE 52 Ca 0.00 0.62 -0.11 0.00 -0.26 0.00 0.00 60.65 60.90 2daf s ILE 52 Cb 0.00 -3.61 0.12 0.00 1.25 0.00 0.00 42.46 40.21 2daf s ILE 52 CO 0.00 -0.11 1.09 -2.16 0.24 0.00 0.00 174.94 174.00 2daf s PRO 53 N -2.88 1.42 0.10 0.37 0.04 -1.26 -4.35 135.00 128.44 2daf s PRO 53 Ca 0.50 0.88 0.26 0.00 0.04 0.00 0.00 61.00 62.67 2daf s PRO 53 Cb -0.11 -1.82 0.64 0.00 0.04 0.00 0.00 34.50 33.25 2daf s PRO 53 CO 0.20 -2.14 1.56 -2.39 0.04 0.00 0.00 177.00 174.26 2daf n HIS 54 N -3.83 0.45 -0.23 0.56 1.44 -1.26 -3.54 115.22 108.81 2daf n HIS 54 Ca 0.07 0.13 -0.03 0.00 -2.01 0.00 0.00 57.72 55.89 2daf n HIS 54 Cb 0.55 -0.62 0.08 0.00 0.12 0.00 0.00 29.99 30.12 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 0.61 0.59 4.39 0.02 -2.00 -2.80 113.55 114.35 2daf h SER 55 Ca 0.00 0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.68 2daf h SER 55 Cb 0.65 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 2daf h SER 55 CO 0.00 0.41 -1.49 -0.37 -1.14 0.00 0.00 176.83 174.24 2daf h VAL 56 N 0.74 1.14 -4.10 2.27 -1.51 -1.98 -3.47 116.25 109.35 2daf h VAL 56 Ca 0.28 -2.89 -0.46 0.00 -1.23 0.00 0.00 66.70 62.40 2daf h VAL 56 Cb 0.10 2.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 2daf h VAL 56 CO -0.14 0.73 0.36 -0.22 -1.23 0.00 0.00 177.57 177.07 2daf s LEU 57 N -6.57 3.83 0.35 4.19 2.96 -1.06 -0.41 118.68 121.97 2daf s LEU 57 Ca -0.06 1.73 -0.05 0.00 -0.22 0.00 0.00 54.13 55.54 2daf s LEU 57 Cb 0.08 -4.54 0.01 0.00 0.50 0.00 0.00 46.19 42.24 2daf s LEU 57 CO 0.83 -0.55 0.52 -1.10 -1.32 0.00 0.00 176.35 174.72 2daf s GLN 58 N -3.42 1.94 0.01 1.98 -1.52 -0.93 -4.82 119.66 112.89 2daf s GLN 58 Ca 0.63 -1.70 0.05 0.00 -1.95 0.00 0.00 55.36 52.39 2daf s GLN 58 Cb -0.11 0.47 -0.01 0.00 -0.22 0.00 0.00 33.01 33.13 2daf s GLN 58 CO 0.20 -0.82 -0.15 0.42 -0.25 0.00 0.00 175.29 174.69 2daf s ILE 59 N -2.99 1.16 -0.14 1.08 1.01 -1.26 -3.58 121.20 116.48 2daf s ILE 59 Ca 0.28 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2daf s ILE 59 Cb -0.01 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2daf s ILE 59 CO 0.19 0.23 -0.21 -0.60 0.00 0.00 0.00 174.94 174.55 2daf s ARG 60 N -0.61 2.91 -0.02 2.79 3.52 -0.32 -3.69 118.95 123.52 2daf s ARG 60 Ca 0.05 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 2daf s ARG 60 Cb -0.06 -2.38 0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2daf s ARG 60 CO 0.00 -0.05 0.05 -0.47 -0.81 0.00 0.00 175.30 174.02 2daf s TYR 61 N 0.90 -0.02 -1.34 5.12 5.04 -1.15 -1.94 117.35 123.97 2daf s TYR 61 Ca -0.05 0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 2daf s TYR 61 Cb -0.15 -0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.02 2daf s TYR 61 CO -0.03 -0.08 0.00 0.45 -1.34 0.00 0.00 175.55 174.55 2daf n SER 62 N 3.82 -4.55 -0.37 4.32 2.88 -1.26 -0.04 113.62 118.42 2daf n SER 62 Ca -0.23 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.41 2daf n SER 62 Cb 0.53 -3.86 -0.02 0.00 -0.75 0.00 0.00 64.21 60.11 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 -0.82 0.61 3.17 0.46 0.00 -1.26 -4.97 105.19 102.37 2daf n GLY 63 Ca -0.18 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.98 2.60 -0.06 1.61 -2.85 0.94 -5.10 119.74 114.91 2daf s LYS 64 Ca 0.00 -0.75 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 2daf s LYS 64 Cb 0.00 -2.02 -0.05 0.00 -2.06 0.00 0.00 37.83 33.70 2daf s LYS 64 CO 0.00 0.16 1.60 0.42 0.10 0.00 0.00 175.35 177.64 2daf s ILE 65 N 0.36 3.64 0.22 3.79 -1.09 -1.26 -2.93 121.20 123.93 2daf s ILE 65 Ca -0.16 0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 59.05 2daf s ILE 65 Cb -0.17 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2daf s ILE 65 CO 0.07 -0.07 0.42 -0.76 -1.23 0.00 0.00 174.94 173.38 2daf s LEU 66 N 3.86 4.19 0.35 2.97 1.43 -1.24 -5.02 118.68 125.21 2daf s LEU 66 Ca 0.71 0.44 0.08 0.00 -1.03 0.00 0.00 54.13 54.33 2daf s LEU 66 Cb -0.32 -3.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 2daf s LEU 66 CO 0.28 -0.08 0.15 -0.75 0.23 0.00 0.00 176.35 176.18 2daf s LYS 67 N -3.43 2.36 0.16 1.70 2.20 -1.26 -4.73 119.74 116.75 2daf s LYS 67 Ca 0.39 -1.57 -0.15 0.00 -0.36 0.00 0.00 55.97 54.28 2daf s LYS 67 Cb -0.11 -2.17 0.04 0.00 -1.51 0.00 0.00 37.83 34.09 2daf s LYS 67 CO 0.29 0.08 1.83 -2.95 -0.36 0.00 0.00 175.35 174.24 2daf h ASN 68 N 1.52 0.54 -0.10 1.43 7.08 -1.99 -1.75 115.58 122.31 2daf h ASN 68 Ca -0.43 -0.01 0.03 0.00 -3.08 0.00 0.00 56.30 52.80 2daf h ASN 68 Cb 1.25 -0.14 -0.00 0.00 -2.08 0.00 0.00 38.32 37.35 2daf h ASN 68 CO 0.64 0.39 0.08 0.78 -2.08 0.00 0.00 177.43 177.23 2daf h ASN 69 N 0.64 0.00 -3.77 6.14 4.21 -2.00 -3.33 115.58 117.47 2daf h ASN 69 Ca 0.17 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 57.17 2daf h ASN 69 Cb -0.07 0.00 0.04 0.00 -1.12 0.00 0.00 38.32 37.17 2daf h ASN 69 CO -0.04 0.00 0.57 -1.61 -1.29 0.00 0.00 177.43 175.06 2daf s GLU 70 N -4.96 4.48 0.10 0.81 2.02 -0.66 -4.93 118.70 115.56 2daf s GLU 70 Ca -0.05 2.02 0.10 0.00 0.02 0.00 0.00 54.97 57.07 2daf s GLU 70 Cb 0.17 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.22 2daf s GLU 70 CO 0.65 -0.03 -0.27 0.99 0.02 0.00 0.00 175.26 176.62 2daf s THR 71 N -0.95 2.22 0.14 3.63 2.01 -1.26 -2.45 115.64 118.98 2daf s THR 71 Ca 0.48 -1.65 -0.28 0.00 0.31 0.00 0.00 61.69 60.55 2daf s THR 71 Cb -0.36 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2daf s THR 71 CO 0.46 0.18 1.58 -0.07 -0.69 0.00 0.00 174.62 176.08 2daf h LEU 72 N 4.16 -1.30 -1.01 4.42 -0.00 -1.77 -0.36 115.31 119.46 2daf h LEU 72 Ca -0.50 0.18 0.18 0.00 -0.00 0.00 0.00 57.88 57.74 2daf h LEU 72 Cb 1.16 0.54 -0.10 0.00 -0.00 0.00 0.00 40.66 42.26 2daf h LEU 72 CO 0.40 -0.41 0.62 -0.37 -0.00 0.00 0.00 178.44 178.68 2daf h VAL 73 N -0.45 0.74 0.00 1.22 -1.51 -1.64 0.30 116.25 114.91 2daf h VAL 73 Ca 0.09 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.27 2daf h VAL 73 Cb 0.61 -0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 29.64 2daf h VAL 73 CO -0.42 0.15 -0.05 1.56 -1.23 0.00 0.00 177.57 177.57 2daf h GLN 74 N 0.80 0.00 0.00 5.19 1.08 -1.39 -0.48 115.11 120.31 2daf h GLN 74 Ca 0.57 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.77 2daf h GLN 74 Cb 0.84 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2daf h GLN 74 CO -0.36 0.05 -0.33 0.45 -0.95 0.00 0.00 178.83 177.69 2daf h HIS 75 N 0.00 0.00 0.00 2.96 3.86 0.28 -3.48 115.15 118.77 2daf h HIS 75 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2daf h HIS 75 Cb 0.10 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.57 2daf h HIS 75 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2daf n GLY 76 N 1.28 0.64 3.11 2.45 0.00 -0.19 -5.11 105.19 107.37 2daf n GLY 76 Ca 0.04 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 1.86 0.28 1.61 1.01 -1.11 -4.98 120.40 118.25 2daf s VAL 77 Ca 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 2daf s VAL 77 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 2daf s VAL 77 CO 0.00 0.51 0.50 -1.59 0.00 0.00 0.00 175.10 174.52 2daf s LYS 78 N 1.10 3.56 0.65 2.72 -2.85 -1.26 -4.10 119.74 119.56 2daf s LYS 78 Ca -0.02 -0.19 -0.15 0.00 -1.00 0.00 0.00 55.97 54.61 2daf s LYS 78 Cb -0.14 -2.71 -0.01 0.00 -2.06 0.00 0.00 37.83 32.91 2daf s LYS 78 CO -0.06 0.25 1.11 -1.25 0.10 0.00 0.00 175.35 175.50 2daf s PRO 79 N -3.70 2.85 -1.16 1.78 0.04 -1.26 -3.50 135.00 130.05 2daf s PRO 79 Ca 0.41 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2daf s PRO 79 Cb -0.10 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.48 2daf s PRO 79 CO 0.31 -1.21 0.00 1.04 0.04 0.00 0.00 177.00 177.18 2daf n GLN 80 N -2.32 -0.97 -4.32 4.56 6.02 -1.04 -4.97 117.38 114.34 2daf n GLN 80 Ca 0.10 0.72 -0.25 0.00 -0.01 0.00 0.00 57.00 57.56 2daf n GLN 80 Cb 0.52 -4.87 -0.09 0.00 1.02 0.00 0.00 30.24 26.83 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 -4.15 2.10 -0.09 -1.09 -1.05 -1.23 -4.86 118.70 108.33 2daf s GLU 81 Ca 0.00 -1.80 -0.00 0.00 -0.15 0.00 0.00 54.97 53.02 2daf s GLU 81 Cb 0.00 -1.91 -0.03 0.00 -0.44 0.00 0.00 34.13 31.75 2daf s GLU 81 CO 0.00 0.07 -0.06 0.42 0.95 0.00 0.00 175.26 176.64 2daf s ILE 82 N -2.55 3.73 0.25 1.83 1.01 -1.26 -0.75 121.20 123.47 2daf s ILE 82 Ca 0.36 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2daf s ILE 82 Cb 0.02 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 2daf s ILE 82 CO 0.20 0.58 0.17 1.33 0.00 0.00 0.00 174.94 177.22 2daf n VAL 83 N 2.51 0.00 -3.61 2.92 0.24 -0.80 -5.03 118.33 114.55 2daf n VAL 83 Ca -0.18 -1.72 -0.14 0.00 -2.04 0.00 0.00 64.34 60.26 2daf n VAL 83 Cb 0.53 0.78 -0.13 0.00 -1.47 0.00 0.00 33.84 33.55 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 -3.00 0.16 0.06 7.34 0.74 -1.26 -2.97 119.66 120.72 2daf s GLN 84 Ca 0.24 0.62 0.06 0.00 0.05 0.00 0.00 55.36 56.33 2daf s GLN 84 Cb 0.01 -0.31 -0.03 0.00 1.10 0.00 0.00 33.01 33.79 2daf s GLN 84 CO 0.17 -0.38 -0.17 0.14 -0.55 0.00 0.00 175.29 174.50 2daf s VAL 85 N 2.40 1.33 -0.07 1.34 -7.23 -0.72 -4.71 120.40 112.74 2daf s VAL 85 Ca 0.03 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 2daf s VAL 85 Cb -0.13 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 2daf s VAL 85 CO -0.09 -0.01 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.97 2daf s GLU 86 N -1.40 2.74 0.04 4.82 8.01 -0.82 -2.35 118.70 129.76 2daf s GLU 86 Ca 0.03 -0.63 0.07 0.00 0.01 0.00 0.00 54.97 54.46 2daf s GLU 86 Cb -0.09 -2.51 -0.03 0.00 -4.31 0.00 0.00 34.13 27.18 2daf s GLU 86 CO 0.02 0.58 -0.18 0.42 0.01 0.00 0.00 175.26 176.11 2daf s ILE 87 N -0.61 2.77 -0.00 -1.63 1.01 -0.95 -1.18 121.20 120.62 2daf s ILE 87 Ca 0.09 -1.21 -0.28 0.00 0.00 0.00 0.00 60.65 59.25 2daf s ILE 87 Cb -0.11 -2.17 0.10 0.00 0.01 0.00 0.00 42.46 40.29 2daf s ILE 87 CO 0.01 0.33 0.87 0.72 0.00 0.00 0.00 174.94 176.87 2daf s PHE 88 N -0.93 -0.37 -0.16 3.97 -0.12 -1.23 -1.79 117.98 117.34 2daf s PHE 88 Ca 0.15 0.27 -0.07 0.00 -0.05 0.00 0.00 56.93 57.23 2daf s PHE 88 Cb -0.10 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 2daf s PHE 88 CO 0.05 -0.56 0.08 0.45 -0.05 0.00 0.00 175.22 175.19 2daf s SER 89 N -2.38 5.80 0.22 1.98 0.15 -1.26 -2.20 113.70 116.01 2daf s SER 89 Ca 0.04 0.18 -0.09 0.00 0.70 0.00 0.00 55.95 56.78 2daf s SER 89 Cb -0.01 -1.94 0.19 0.00 -1.71 0.00 0.00 66.02 62.55 2daf s SER 89 CO -0.08 0.25 1.89 0.71 1.20 0.00 0.00 173.24 177.21 2daf h THR 90 N 4.58 1.22 -3.18 6.45 1.35 -1.08 -3.34 112.91 118.90 2daf h THR 90 Ca -0.43 -0.41 -0.63 0.00 -0.55 0.00 0.00 66.41 64.40 2daf h THR 90 Cb 1.18 -0.01 -0.41 0.00 -1.73 0.00 0.00 68.15 67.19 2daf h THR 90 CO 0.67 0.21 -0.66 0.21 -0.25 0.00 0.00 175.52 175.70 2daf s ASN 91 N -5.98 4.12 0.40 5.36 2.47 -1.26 -4.93 114.94 115.12 2daf s ASN 91 Ca -0.13 -3.06 0.29 0.00 0.42 0.00 0.00 52.86 50.38 2daf s ASN 91 Cb 0.16 -1.43 1.20 0.00 -1.45 0.00 0.00 41.25 39.73 2daf s ASN 91 CO 0.79 -0.21 1.85 1.55 -3.72 0.00 0.00 177.10 177.37 2daf h PRO 92 N 6.34 0.00 -0.13 0.43 0.13 -1.76 -1.38 132.00 135.62 2daf h PRO 92 Ca -0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 2daf h PRO 92 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 2daf h PRO 92 CO 0.63 0.00 -0.40 -0.44 -0.23 0.00 0.00 178.00 177.56 2daf h ASP 93 N 0.00 0.31 0.00 1.44 3.32 -1.95 -2.76 116.42 116.78 2daf h ASP 93 Ca 0.00 -0.13 -0.43 0.00 0.02 0.00 0.00 57.03 56.49 2daf h ASP 93 Cb 0.42 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 2daf h ASP 93 CO 0.00 0.68 -2.41 0.18 -1.72 0.00 0.00 179.24 175.97 2daf n LEU 94 N -4.03 2.08 -3.73 1.55 4.77 -1.09 -4.80 117.00 111.75 2daf n LEU 94 Ca -0.01 0.29 -0.28 0.00 -0.03 0.00 0.00 56.01 55.98 2daf n LEU 94 Cb 0.48 -0.85 -0.11 0.00 -2.33 0.00 0.00 43.42 40.60 2daf n LEU 94 CO 0.42 0.59 -0.14 -0.31 -1.33 0.00 0.00 177.39 176.63 2daf s TYR 95 N -2.50 2.71 0.64 -1.77 1.51 -0.54 -5.11 117.35 112.29 2daf s TYR 95 Ca -0.37 -2.98 -0.16 0.00 -1.01 0.00 0.00 57.07 52.55 2daf s TYR 95 Cb 0.13 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 2daf s TYR 95 CO 0.52 -0.65 1.11 -1.25 -1.11 0.00 0.00 175.55 174.17 2daf s PRO 96 N -0.89 2.87 -0.30 -1.71 0.04 -1.04 -4.36 135.00 129.61 2daf s PRO 96 Ca 0.27 1.42 -0.15 0.00 0.04 0.00 0.00 61.00 62.58 2daf s PRO 96 Cb -0.03 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2daf s PRO 96 CO -0.17 -1.20 0.39 0.08 0.04 0.00 0.00 177.00 176.14 2daf s VAL 97 N -2.27 5.15 0.72 -0.36 1.01 -1.26 -4.96 120.40 118.43 2daf s VAL 97 Ca 0.68 0.42 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2daf s VAL 97 Cb -0.21 -3.76 0.14 0.00 0.00 0.00 0.00 36.38 32.55 2daf s VAL 97 CO 0.40 0.05 0.99 0.00 0.00 0.00 0.00 175.10 176.54 2daf s ARG 98 N 2.10 1.64 0.03 2.72 1.70 -1.26 -4.62 118.95 121.26 2daf s ARG 98 Ca 0.15 -1.31 -0.05 0.00 -0.47 0.00 0.00 55.73 54.05 2daf s ARG 98 Cb -0.16 -2.37 -0.05 0.00 -0.57 0.00 0.00 34.95 31.80 2daf s ARG 98 CO 0.11 -1.46 0.27 0.50 -1.08 0.00 0.00 175.30 173.63 2daf s ARG 99 N -5.11 3.56 -0.40 3.89 3.52 -1.26 -4.91 118.95 118.24 2daf s ARG 99 Ca 0.67 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 56.15 2daf s ARG 99 Cb -0.04 -3.05 0.11 0.00 -1.56 0.00 0.00 34.95 30.41 2daf s ARG 99 CO 0.44 0.62 0.14 0.42 -0.81 0.00 0.00 175.30 176.12 2daf s ILE 100 N -1.37 2.65 0.23 4.11 1.01 -1.26 -4.99 121.20 121.58 2daf s ILE 100 Ca 0.30 -2.45 -0.14 0.00 0.00 0.00 0.00 60.65 58.36 2daf s ILE 100 Cb -0.13 -2.89 0.28 0.00 0.01 0.00 0.00 42.46 39.73 2daf s ILE 100 CO 0.19 -0.67 1.46 -0.67 0.00 0.00 0.00 174.94 175.25 2daf n ASP 101 N 4.13 -0.54 -0.50 3.58 2.03 -1.26 -4.88 116.55 119.10 2daf n ASP 101 Ca 0.03 1.63 0.00 0.00 0.52 0.00 0.00 54.79 56.97 2daf n ASP 101 Cb 0.40 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2daf n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2daf n GLY 102 N -1.48 -1.47 3.65 0.27 0.00 -1.26 -4.71 105.19 100.19 2daf n GLY 102 Ca 0.11 -1.20 -0.52 0.00 0.00 0.00 0.00 46.02 44.41 2daf n GLY 102 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2daf n LEU 103 N 0.00 2.83 -3.29 0.99 -0.00 -1.26 -4.82 117.00 111.44 2daf n LEU 103 Ca 0.00 0.90 -0.31 0.00 -0.00 0.00 0.00 56.01 56.60 2daf n LEU 103 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.16 2daf n LEU 103 CO 0.00 -0.32 -0.41 0.41 -0.00 0.00 0.00 177.39 177.08 2daf n THR 104 N 5.35 0.27 -0.62 1.96 -1.04 -1.26 -4.85 114.28 114.10 2daf n THR 104 Ca 0.27 -0.38 -0.26 0.00 -2.04 0.00 0.00 64.05 61.64 2daf n THR 104 Cb 0.22 0.00 0.15 0.00 -1.82 0.00 0.00 70.33 68.88 2daf n THR 104 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 2daf n ASP 105 N 1.86 -2.76 -4.67 8.00 5.68 -1.26 -4.76 116.55 118.64 2daf n ASP 105 Ca 0.08 -0.26 -0.44 0.00 -0.50 0.00 0.00 54.79 53.67 2daf n ASP 105 Cb 0.33 -0.82 -0.03 0.00 -1.14 0.00 0.00 41.12 39.45 2daf n ASP 105 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2daf n VAL 106 N -4.38 0.66 -4.33 2.12 0.31 -1.26 -4.97 118.33 106.49 2daf n VAL 106 Ca 0.03 -0.12 -0.16 0.00 -0.01 0.00 0.00 64.34 64.08 2daf n VAL 106 Cb 0.50 -2.18 -0.04 0.00 -0.91 0.00 0.00 33.84 31.21 2daf n VAL 106 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2daf n SER 107 N 7.01 1.64 -3.84 4.52 3.41 -1.26 -5.14 113.62 119.97 2daf n SER 107 Ca 0.20 -2.26 -0.30 0.00 -0.26 0.00 0.00 58.87 56.26 2daf n SER 107 Cb 0.38 0.47 -0.15 0.00 -0.26 0.00 0.00 64.21 64.64 2daf n SER 107 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2daf s GLN 108 N -2.94 1.10 0.05 4.33 0.74 -1.26 -5.11 119.66 116.56 2daf s GLN 108 Ca 0.08 -1.00 -0.01 0.00 0.05 0.00 0.00 55.36 54.48 2daf s GLN 108 Cb 0.00 -2.36 -0.04 0.00 1.10 0.00 0.00 33.01 31.72 2daf s GLN 108 CO 0.06 -0.78 -0.02 0.96 -0.55 0.00 0.00 175.29 174.96 2daf s ILE 109 N 1.51 0.20 -0.01 -2.34 -0.00 -1.26 -5.17 121.20 114.14 2daf s ILE 109 Ca 0.02 -1.68 -0.29 0.00 -0.00 0.00 0.00 60.65 58.70 2daf s ILE 109 Cb -0.18 -1.36 0.08 0.00 -0.00 0.00 0.00 42.46 41.00 2daf s ILE 109 CO -0.13 -0.93 0.71 -0.51 -0.00 0.00 0.00 174.94 174.08 2daf s ILE 110 N -3.62 0.00 0.20 8.37 2.07 -1.26 -5.19 121.20 121.78 2daf s ILE 110 Ca 0.04 0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.14 2daf s ILE 110 Cb 0.06 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.66 2daf s ILE 110 CO -0.09 0.00 0.45 0.28 -1.91 0.00 0.00 174.94 173.67 2daf s THR 111 N -1.97 0.03 -0.40 4.00 -1.32 -1.26 -5.09 115.64 109.64 2daf s THR 111 Ca -0.06 -1.09 -0.36 0.00 -1.21 0.00 0.00 61.69 58.98 2daf s THR 111 Cb -0.00 -1.79 -0.15 0.00 -1.51 0.00 0.00 72.50 69.04 2daf s THR 111 CO 0.02 -0.15 1.61 0.52 -2.21 0.00 0.00 174.62 174.41 2daf n VAL 112 N -0.31 0.00 -2.07 5.08 0.31 -1.26 -4.89 118.33 115.19 2daf n VAL 112 Ca -0.07 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.97 2daf n VAL 112 Cb 0.62 -0.40 0.16 0.00 -0.91 0.00 0.00 33.84 33.32 2daf n VAL 112 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2daf s SER 113 N 4.27 3.50 0.00 4.52 0.01 -1.26 -5.10 113.70 119.64 2daf s SER 113 Ca 0.93 0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.37 2daf s SER 113 Cb -1.19 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 64.70 2daf s SER 113 CO 0.55 -2.48 0.00 0.61 0.41 0.00 0.00 173.24 172.34 2daf n GLY 114 N -3.53 -0.38 2.16 3.44 0.00 -1.26 -5.07 105.19 100.55 2daf n GLY 114 Ca 0.14 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.37 2daf n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2daf n PRO 115 N 0.00 -2.36 -3.71 1.61 -0.04 -1.26 -5.08 135.00 124.16 2daf n PRO 115 Ca 0.00 -1.08 -0.16 0.00 -0.04 0.00 0.00 63.50 62.22 2daf n PRO 115 Cb 0.00 -1.01 -0.16 0.00 -0.04 0.00 0.00 33.50 32.29 2daf n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2daf s SER 116 N -3.32 0.45 1.12 3.54 0.15 -1.26 -5.15 113.70 109.23 2daf s SER 116 Ca 0.44 0.24 -0.13 0.00 0.70 0.00 0.00 55.95 57.21 2daf s SER 116 Cb -0.04 0.14 0.26 0.00 -1.71 0.00 0.00 66.02 64.66 2daf s SER 116 CO 0.34 -0.20 1.05 -0.55 1.20 0.00 0.00 173.24 175.07 2daf s SER 117 N 1.76 1.37 0.00 5.45 0.15 -1.26 -5.35 113.70 115.81 2daf s SER 117 Ca -0.02 1.50 0.29 0.00 0.70 0.00 0.00 55.95 58.42 2daf s SER 117 Cb -0.12 -2.24 1.28 0.00 -1.71 0.00 0.00 66.02 63.23 2daf s SER 117 CO -0.05 -3.96 1.88 0.61 1.20 0.00 0.00 173.24 172.92