#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 4.59 -0.52 1.61 0.15 -1.26 -4.87 113.70 113.40 2daf s SER 2 Ca 0.00 0.49 -0.26 0.00 0.70 0.00 0.00 55.95 56.88 2daf s SER 2 Cb 0.00 -2.52 -0.06 0.00 -1.71 0.00 0.00 66.02 61.73 2daf s SER 2 CO 0.00 -2.96 2.28 -0.94 1.20 0.00 0.00 173.24 172.82 2daf s SER 3 N 10.50 4.62 0.48 5.45 1.04 -1.26 -4.69 113.70 129.84 2daf s SER 3 Ca 0.86 0.90 0.00 0.00 0.48 0.00 0.00 55.95 58.19 2daf s SER 3 Cb -0.14 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2daf s SER 3 CO 0.18 -2.78 0.00 0.61 0.98 0.00 0.00 173.24 172.23 2daf n GLY 4 N 5.94 -2.74 3.55 7.32 0.00 -1.26 -4.52 105.19 113.48 2daf n GLY 4 Ca 0.33 -1.11 -0.40 0.00 0.00 0.00 0.00 46.02 44.83 2daf n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2daf s SER 5 N -7.11 5.85 0.05 1.61 0.15 -1.26 -4.99 113.70 108.00 2daf s SER 5 Ca 0.00 -0.06 -0.00 0.00 0.70 0.00 0.00 55.95 56.59 2daf s SER 5 Cb 0.00 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.72 2daf s SER 5 CO 0.00 -2.00 0.20 -0.94 1.20 0.00 0.00 173.24 171.69 2daf s SER 6 N 5.35 6.30 0.00 5.45 1.04 -1.26 -5.06 113.70 125.51 2daf s SER 6 Ca 0.49 0.26 0.00 0.00 0.48 0.00 0.00 55.95 57.18 2daf s SER 6 Cb -0.10 -1.93 0.00 0.00 0.10 0.00 0.00 66.02 64.09 2daf s SER 6 CO 0.19 0.18 0.00 0.61 0.98 0.00 0.00 173.24 175.20 2daf n GLY 7 N 0.37 -0.95 3.41 7.32 0.00 -1.26 -5.12 105.19 108.96 2daf n GLY 7 Ca -0.06 0.86 -0.44 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 3.06 0.03 1.61 0.74 -1.26 -5.04 119.66 118.81 2daf s GLN 8 Ca 0.00 -1.12 0.04 0.00 0.05 0.00 0.00 55.36 54.33 2daf s GLN 8 Cb 0.00 -4.13 -0.02 0.00 1.10 0.00 0.00 33.01 29.96 2daf s GLN 8 CO 0.00 -1.19 -0.12 -1.21 -0.55 0.00 0.00 175.29 172.22 2daf s GLU 9 N 2.26 0.78 0.05 1.67 0.41 -1.26 -5.16 118.70 117.46 2daf s GLU 9 Ca 0.11 -0.68 -0.07 0.00 -0.41 0.00 0.00 54.97 53.91 2daf s GLU 9 Cb -0.22 -0.74 -0.01 0.00 -1.78 0.00 0.00 34.13 31.39 2daf s GLU 9 CO 0.09 0.18 0.15 -1.54 -0.49 0.00 0.00 175.26 173.65 2daf s SER 10 N -1.08 0.13 -0.08 -0.19 1.04 -1.26 -5.15 113.70 107.11 2daf s SER 10 Ca -0.01 -0.53 -0.21 0.00 0.48 0.00 0.00 55.95 55.68 2daf s SER 10 Cb -0.07 0.27 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2daf s SER 10 CO 0.01 -0.58 0.60 -0.69 0.98 0.00 0.00 173.24 173.55 2daf s VAL 11 N -2.97 5.09 -0.05 5.02 1.01 -1.26 -5.06 120.40 122.18 2daf s VAL 11 Ca -0.02 1.22 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 2daf s VAL 11 Cb 0.01 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.46 2daf s VAL 11 CO -0.06 0.30 0.14 -1.61 0.00 0.00 0.00 175.10 173.87 2daf s GLU 12 N 0.63 0.16 0.35 2.72 0.41 -1.26 -5.03 118.70 116.69 2daf s GLU 12 Ca 0.32 0.20 0.25 0.00 -0.41 0.00 0.00 54.97 55.33 2daf s GLU 12 Cb -0.17 0.07 0.61 0.00 -1.78 0.00 0.00 34.13 32.87 2daf s GLU 12 CO 0.15 -0.02 1.70 0.38 -0.49 0.00 0.00 175.26 176.98 2daf h ASP 13 N 5.97 0.00 -0.99 -0.19 3.04 -2.03 -3.28 116.42 118.94 2daf h ASP 13 Ca -0.25 0.00 -0.52 0.00 -3.24 0.00 0.00 57.03 53.01 2daf h ASP 13 Cb 1.20 0.00 -0.20 0.00 -1.04 0.00 0.00 39.33 39.28 2daf h ASP 13 CO 0.42 0.00 0.62 -1.20 -2.04 0.00 0.00 179.24 177.04 2daf n SER 14 N -2.75 6.93 -4.38 4.15 7.64 -1.26 -4.50 113.62 119.45 2daf n SER 14 Ca 0.04 -3.39 -0.33 0.00 1.01 0.00 0.00 58.87 56.20 2daf n SER 14 Cb 0.46 -1.09 -0.14 0.00 -1.01 0.00 0.00 64.21 62.43 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 -2.73 2.69 -0.14 -3.43 1.43 -1.24 -3.60 118.68 111.65 2daf s LEU 15 Ca 0.50 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 2daf s LEU 15 Cb 0.37 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.99 2daf s LEU 15 CO -0.13 0.19 -0.12 0.00 0.23 0.00 0.00 176.35 176.52 2daf s ALA 16 N 0.19 2.63 -0.46 4.21 0.00 0.47 0.30 121.76 129.09 2daf s ALA 16 Ca -0.08 -0.93 -0.26 0.00 0.00 0.00 0.00 51.96 50.68 2daf s ALA 16 Cb -0.15 -1.27 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 2daf s ALA 16 CO 0.05 0.15 2.37 0.99 0.00 0.00 0.00 175.76 179.31 2daf s THR 17 N 0.52 3.02 -0.33 0.00 2.01 0.28 -3.15 115.64 117.99 2daf s THR 17 Ca -0.08 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 2daf s THR 17 Cb -0.16 -3.05 0.03 0.00 0.01 0.00 0.00 72.50 69.33 2daf s THR 17 CO 0.04 -0.05 0.12 -0.69 -0.69 0.00 0.00 174.62 173.35 2daf s VAL 18 N 11.63 4.03 -0.08 3.82 1.01 -1.24 -1.73 120.40 137.84 2daf s VAL 18 Ca 0.97 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 2daf s VAL 18 Cb -0.19 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2daf s VAL 18 CO 0.27 -0.11 0.76 -0.54 0.00 0.00 0.00 175.10 175.48 2daf s LYS 19 N 1.47 4.42 -0.15 2.72 1.02 -1.12 -3.54 119.74 124.56 2daf s LYS 19 Ca 0.00 0.97 -0.03 0.00 0.02 0.00 0.00 55.97 56.94 2daf s LYS 19 Cb -0.19 -3.48 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 2daf s LYS 19 CO 0.04 -0.03 -0.07 0.08 -0.92 0.00 0.00 175.35 174.45 2daf s VAL 20 N 1.10 3.58 -0.08 3.17 1.01 0.49 -1.46 120.40 128.21 2daf s VAL 20 Ca 0.39 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2daf s VAL 20 Cb -0.18 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2daf s VAL 20 CO 0.18 0.50 -0.20 -0.69 0.00 0.00 0.00 175.10 174.89 2daf s VAL 21 N 0.44 1.75 -0.10 2.92 1.01 -0.89 0.24 120.40 125.77 2daf s VAL 21 Ca -0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2daf s VAL 21 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 2daf s VAL 21 CO 0.04 0.49 1.05 -0.76 0.00 0.00 0.00 175.10 175.92 2daf s LEU 22 N 0.40 4.25 -0.03 3.92 1.43 0.43 -1.58 118.68 127.50 2daf s LEU 22 Ca -0.16 1.59 -0.18 0.00 -1.03 0.00 0.00 54.13 54.35 2daf s LEU 22 Cb -0.17 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 2daf s LEU 22 CO 0.07 -0.49 0.77 0.40 0.23 0.00 0.00 176.35 177.33 2daf h ILE 23 N 5.09 0.25 0.00 -0.59 1.08 -1.70 1.78 117.51 123.42 2daf h ILE 23 Ca -0.31 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.45 2daf h ILE 23 Cb 1.15 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.31 2daf h ILE 23 CO 0.86 0.06 0.00 1.55 -0.69 0.00 0.00 178.15 179.93 2daf h PRO 24 N -1.06 0.00 0.00 2.37 0.13 -1.93 -3.34 132.00 128.17 2daf h PRO 24 Ca -0.05 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.04 2daf h PRO 24 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 2daf h PRO 24 CO 0.08 0.00 -0.78 0.28 -0.23 0.00 0.00 178.00 177.36 2daf n VAL 25 N -2.65 1.31 0.00 1.56 0.31 -1.23 -5.04 118.33 112.59 2daf n VAL 25 Ca 0.01 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 2daf n VAL 25 Cb 0.26 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 2daf n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2daf n GLY 26 N 2.27 0.55 3.78 2.92 0.00 0.60 -4.99 105.19 110.33 2daf n GLY 26 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.73 4.00 0.00 1.61 0.74 -1.25 -4.57 119.66 119.46 2daf s GLN 27 Ca 0.00 1.58 0.02 0.00 0.05 0.00 0.00 55.36 57.01 2daf s GLN 27 Cb 0.00 -2.45 -0.04 0.00 1.10 0.00 0.00 33.01 31.62 2daf s GLN 27 CO 0.00 -0.30 -0.03 -2.00 -0.55 0.00 0.00 175.29 172.41 2daf s GLU 28 N -2.64 2.69 -0.03 1.67 2.56 -1.26 -0.43 118.70 121.26 2daf s GLU 28 Ca 0.61 -0.66 -0.01 0.00 0.00 0.00 0.00 54.97 54.91 2daf s GLU 28 Cb -0.23 -2.60 0.03 0.00 2.00 0.00 0.00 34.13 33.32 2daf s GLU 28 CO 0.29 0.62 0.06 0.42 -0.56 0.00 0.00 175.26 176.09 2daf s ILE 29 N -1.05 -0.04 -0.21 -3.70 1.01 0.14 -4.99 121.20 112.36 2daf s ILE 29 Ca 0.19 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.95 2daf s ILE 29 Cb -0.11 -0.12 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2daf s ILE 29 CO 0.09 0.06 -0.03 -0.69 0.00 0.00 0.00 174.94 174.37 2daf s VAL 30 N 0.86 3.56 -0.11 2.92 1.01 -1.26 -0.38 120.40 127.00 2daf s VAL 30 Ca -0.07 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2daf s VAL 30 Cb -0.10 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2daf s VAL 30 CO -0.03 0.43 0.27 -0.51 0.00 0.00 0.00 175.10 175.26 2daf s ILE 31 N 1.24 -0.01 0.03 2.22 2.07 -1.23 -5.05 121.20 120.47 2daf s ILE 31 Ca 0.03 0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 2daf s ILE 31 Cb -0.14 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 41.98 2daf s ILE 31 CO -0.01 0.02 1.42 -2.16 -1.91 0.00 0.00 174.94 172.30 2daf s PRO 32 N 0.49 4.28 0.07 3.50 0.04 -1.26 -3.65 135.00 138.48 2daf s PRO 32 Ca -0.03 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.09 2daf s PRO 32 Cb -0.04 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.97 2daf s PRO 32 CO -0.03 -0.56 -0.15 0.12 0.04 0.00 0.00 177.00 176.43 2daf s PHE 33 N 2.11 1.29 0.31 0.56 5.36 -1.19 -4.94 117.98 121.49 2daf s PHE 33 Ca 0.65 -0.45 -0.26 0.00 -0.96 0.00 0.00 56.93 55.91 2daf s PHE 33 Cb -0.33 -0.72 -0.10 0.00 -0.34 0.00 0.00 43.02 41.52 2daf s PHE 33 CO 0.28 0.08 0.93 0.15 -1.46 0.00 0.00 175.22 175.19 2daf s LYS 34 N -1.75 4.56 0.05 10.12 1.02 -1.26 -0.40 119.74 132.08 2daf s LYS 34 Ca -0.01 1.29 0.26 0.00 0.02 0.00 0.00 55.97 57.53 2daf s LYS 34 Cb -0.10 -2.80 0.68 0.00 -0.52 0.00 0.00 37.83 35.08 2daf s LYS 34 CO 0.02 0.29 1.56 1.33 -0.92 0.00 0.00 175.35 177.63 2daf n VAL 35 N 0.57 0.16 -0.05 3.17 0.24 -1.24 -3.75 118.33 117.43 2daf n VAL 35 Ca 0.02 -0.10 0.01 0.00 -2.04 0.00 0.00 64.34 62.22 2daf n VAL 35 Cb 0.50 -0.12 -0.15 0.00 -1.47 0.00 0.00 33.84 32.60 2daf n VAL 35 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2daf n ASP 36 N -1.74 0.56 -4.58 -1.34 8.00 -1.26 -2.38 116.55 113.81 2daf n ASP 36 Ca 0.05 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.12 2daf n ASP 36 Cb 0.37 1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.89 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2daf s THR 37 N -2.92 4.22 0.45 -3.53 2.01 -1.25 -4.92 115.64 109.70 2daf s THR 37 Ca -0.08 0.97 -0.13 0.00 0.31 0.00 0.00 61.69 62.76 2daf s THR 37 Cb 0.09 -4.60 -0.11 0.00 0.01 0.00 0.00 72.50 67.89 2daf s THR 37 CO 0.77 -1.07 -0.20 2.30 -0.69 0.00 0.00 174.62 175.73 2daf n ILE 38 N 6.67 0.00 0.30 1.82 -0.00 -1.26 -4.75 119.36 122.14 2daf n ILE 38 Ca 0.09 -0.37 0.17 0.00 -0.00 0.00 0.00 62.75 62.64 2daf n ILE 38 Cb 0.49 0.00 0.78 0.00 -0.00 0.00 0.00 39.64 40.91 2daf n ILE 38 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2daf h LEU 39 N -0.16 0.00 -0.99 7.28 3.38 -1.64 -3.10 115.31 120.08 2daf h LEU 39 Ca -0.31 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.01 2daf h LEU 39 Cb 1.05 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.63 2daf h LEU 39 CO 0.28 0.00 0.44 0.50 0.09 0.00 0.00 178.44 179.75 2daf h LYS 40 N 0.00 0.11 0.43 1.13 3.11 -1.65 0.16 116.57 119.85 2daf h LYS 40 Ca 0.00 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 2daf h LYS 40 Cb 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2daf h LYS 40 CO 0.00 0.07 -0.21 1.88 -2.81 0.00 0.00 179.45 178.38 2daf h TYR 41 N 0.11 -0.53 0.00 1.91 -1.99 -1.85 -1.90 116.97 112.72 2daf h TYR 41 Ca 0.75 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.47 2daf h TYR 41 Cb 1.82 0.18 0.00 0.00 2.00 0.00 0.00 36.73 40.73 2daf h TYR 41 CO -0.11 -0.21 0.11 1.25 -0.00 0.00 0.00 178.16 179.19 2daf h LEU 42 N -0.86 0.00 0.00 3.88 5.85 -1.01 -1.94 115.31 121.23 2daf h LEU 42 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2daf h LEU 42 Cb 0.56 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2daf h LEU 42 CO 0.10 0.00 -0.15 0.50 -0.34 0.00 0.00 178.44 178.54 2daf h LYS 43 N 0.00 0.00 -0.94 1.25 3.64 -0.59 -3.33 116.57 116.61 2daf h LYS 43 Ca 0.00 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.54 2daf h LYS 43 Cb 0.21 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.94 2daf h LYS 43 CO 0.00 0.06 0.54 -0.44 -2.27 0.00 0.00 179.45 177.34 2daf h ASP 44 N -1.00 0.71 -0.33 4.20 5.19 -0.95 0.14 116.42 124.38 2daf h ASP 44 Ca -0.01 0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.55 2daf h ASP 44 Cb 0.19 -0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.58 2daf h ASP 44 CO -0.00 0.30 -0.44 -0.74 -3.12 0.00 0.00 179.24 175.24 2daf h HIS 45 N 0.76 -1.28 -0.22 4.55 2.76 -1.52 0.17 115.15 120.36 2daf h HIS 45 Ca 0.51 0.06 -0.16 0.00 -2.20 0.00 0.00 60.37 58.59 2daf h HIS 45 Cb 0.70 0.61 0.00 0.00 1.55 0.00 0.00 27.41 30.27 2daf h HIS 45 CO -0.04 -0.46 -0.49 0.74 -1.30 0.00 0.00 177.93 176.39 2daf h PHE 46 N -0.38 0.91 0.05 5.26 -1.00 -1.50 -2.76 116.94 117.51 2daf h PHE 46 Ca 0.11 -0.34 0.01 0.00 2.81 0.00 0.00 57.97 60.56 2daf h PHE 46 Cb 0.60 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 2daf h PHE 46 CO -0.60 1.13 -0.32 1.03 -1.61 0.00 0.00 178.31 177.95 2daf h SER 47 N 0.43 -0.96 0.01 2.17 0.87 -0.13 0.22 113.55 116.16 2daf h SER 47 Ca 0.00 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2daf h SER 47 Cb 1.10 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 63.37 2daf h SER 47 CO 0.11 -0.32 -0.30 1.12 -0.53 0.00 0.00 176.83 176.91 2daf h HIS 48 N -0.43 -0.81 -0.22 2.24 2.07 -0.79 -0.21 115.15 117.00 2daf h HIS 48 Ca -0.00 0.03 0.03 0.00 -2.85 0.00 0.00 60.37 57.58 2daf h HIS 48 Cb 0.44 0.35 -0.06 0.00 2.57 0.00 0.00 27.41 30.71 2daf h HIS 48 CO -0.41 -0.39 -0.50 1.25 -3.07 0.00 0.00 177.93 174.81 2daf h LEU 49 N -0.45 -1.61 -2.30 6.12 7.12 -1.26 0.37 115.31 123.31 2daf h LEU 49 Ca 0.06 0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.30 2daf h LEU 49 Cb 0.53 0.64 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2daf h LEU 49 CO -0.24 -0.41 0.21 -0.07 -0.13 0.00 0.00 178.44 177.80 2daf h LEU 50 N -0.46 0.00 0.00 2.25 3.38 -0.36 -3.45 115.31 116.67 2daf h LEU 50 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2daf h LEU 50 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2daf h LEU 50 CO -0.45 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.69 2daf n GLY 51 N -1.31 0.71 3.48 0.83 0.00 0.13 -4.92 105.19 104.11 2daf n GLY 51 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 2daf n GLY 51 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2daf s ILE 52 N -2.00 2.74 0.51 -0.61 -4.36 -0.58 -4.98 121.20 111.91 2daf s ILE 52 Ca 0.00 -1.71 -0.21 0.00 -0.26 0.00 0.00 60.65 58.47 2daf s ILE 52 Cb 0.00 -2.29 -0.06 0.00 1.25 0.00 0.00 42.46 41.35 2daf s ILE 52 CO 0.00 -0.01 1.14 -2.16 0.24 0.00 0.00 174.94 174.15 2daf s PRO 53 N -2.44 3.52 0.39 0.37 0.04 -1.26 -3.94 135.00 131.67 2daf s PRO 53 Ca 0.20 1.68 0.28 0.00 0.04 0.00 0.00 61.00 63.20 2daf s PRO 53 Cb -0.09 -2.17 1.10 0.00 0.04 0.00 0.00 34.50 33.38 2daf s PRO 53 CO 0.11 -0.73 1.83 1.12 0.04 0.00 0.00 177.00 179.37 2daf h HIS 54 N 1.55 0.00 0.07 0.56 2.07 -1.91 -3.14 115.15 114.34 2daf h HIS 54 Ca -0.50 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.05 2daf h HIS 54 Cb 1.26 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.19 2daf h HIS 54 CO 0.52 0.00 -0.34 0.77 -3.07 0.00 0.00 177.93 175.81 2daf h SER 55 N 0.00 -1.00 -0.10 3.10 0.02 -2.01 -2.94 113.55 110.62 2daf h SER 55 Ca 0.00 0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 60.87 2daf h SER 55 Cb 0.49 0.39 0.01 0.00 0.14 0.00 0.00 62.40 63.43 2daf h SER 55 CO 0.00 -0.41 -0.71 -0.37 -1.14 0.00 0.00 176.83 174.19 2daf h VAL 56 N -0.54 1.32 -3.26 2.27 -1.51 -1.97 -3.44 116.25 109.12 2daf h VAL 56 Ca 0.04 -1.98 -0.53 0.00 -1.23 0.00 0.00 66.70 63.01 2daf h VAL 56 Cb 0.59 2.18 0.03 0.00 -2.13 0.00 0.00 31.29 31.96 2daf h VAL 56 CO -0.23 0.61 0.68 -0.22 -1.23 0.00 0.00 177.57 177.18 2daf s LEU 57 N -8.42 4.40 0.37 4.19 2.96 -1.11 -1.19 118.68 119.88 2daf s LEU 57 Ca -0.11 2.38 0.05 0.00 -0.22 0.00 0.00 54.13 56.23 2daf s LEU 57 Cb 0.07 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 2daf s LEU 57 CO 0.87 -0.57 0.18 -1.10 -1.32 0.00 0.00 176.35 174.41 2daf s GLN 58 N 0.28 1.82 0.05 1.98 -1.52 -0.30 -4.77 119.66 117.20 2daf s GLN 58 Ca 0.59 -2.08 0.04 0.00 -1.95 0.00 0.00 55.36 51.96 2daf s GLN 58 Cb -0.37 -0.21 -0.02 0.00 -0.22 0.00 0.00 33.01 32.19 2daf s GLN 58 CO 0.36 -0.53 -0.12 0.42 -0.25 0.00 0.00 175.29 175.16 2daf s ILE 59 N -3.36 0.94 -0.07 1.08 1.01 -1.26 -3.11 121.20 116.44 2daf s ILE 59 Ca 0.31 -1.11 0.02 0.00 0.00 0.00 0.00 60.65 59.87 2daf s ILE 59 Cb 0.03 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.61 2daf s ILE 59 CO 0.19 -0.18 -0.09 -0.60 0.00 0.00 0.00 174.94 174.26 2daf s ARG 60 N -1.44 1.43 -0.08 2.79 3.52 -0.81 -3.15 118.95 121.21 2daf s ARG 60 Ca -0.03 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.20 2daf s ARG 60 Cb -0.09 -1.27 0.02 0.00 -1.56 0.00 0.00 34.95 32.05 2daf s ARG 60 CO 0.01 -0.05 0.22 -0.47 -0.81 0.00 0.00 175.30 174.21 2daf s TYR 61 N 0.89 -0.24 -1.54 5.12 5.04 -0.99 -2.16 117.35 123.46 2daf s TYR 61 Ca -0.11 0.59 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2daf s TYR 61 Cb -0.15 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.24 2daf s TYR 61 CO 0.01 -0.12 0.00 0.45 -1.34 0.00 0.00 175.55 174.55 2daf n SER 62 N 2.97 -4.87 -0.72 4.32 2.88 -1.26 -0.33 113.62 116.61 2daf n SER 62 Ca -0.13 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.48 2daf n SER 62 Cb 0.58 -4.16 -0.04 0.00 -0.75 0.00 0.00 64.21 59.85 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 -0.77 1.06 3.12 0.46 0.00 -1.26 -4.99 105.19 102.81 2daf n GLY 63 Ca -0.19 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.60 1.52 -0.45 1.61 -2.85 0.55 -5.09 119.74 112.43 2daf s LYS 64 Ca 0.00 -0.55 -0.28 0.00 -1.00 0.00 0.00 55.97 54.14 2daf s LYS 64 Cb 0.00 -1.37 -0.02 0.00 -2.06 0.00 0.00 37.83 34.39 2daf s LYS 64 CO 0.00 0.25 1.81 0.42 0.10 0.00 0.00 175.35 177.93 2daf s ILE 65 N -0.05 3.45 1.06 3.79 -1.09 -1.26 -2.35 121.20 124.74 2daf s ILE 65 Ca -0.01 0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 58.63 2daf s ILE 65 Cb -0.10 -3.79 0.27 0.00 -1.58 0.00 0.00 42.46 37.26 2daf s ILE 65 CO 0.01 -0.62 0.83 0.18 -1.23 0.00 0.00 174.94 174.10 2daf n LEU 66 N 11.30 0.00 0.00 2.97 4.77 -1.19 -5.01 117.00 129.84 2daf n LEU 66 Ca 0.22 -0.87 -0.14 0.00 -0.03 0.00 0.00 56.01 55.19 2daf n LEU 66 Cb 0.49 -0.81 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2daf n LEU 66 CO 0.70 -2.15 -0.09 0.29 -1.33 0.00 0.00 177.39 174.81 2daf n LYS 67 N -4.48 0.72 -0.09 3.23 4.76 -1.26 -4.85 118.16 116.19 2daf n LYS 67 Ca 0.12 -1.94 -0.11 0.00 -2.87 0.00 0.00 58.31 53.52 2daf n LYS 67 Cb 0.48 1.07 -0.12 0.00 -1.84 0.00 0.00 35.03 34.62 2daf n LYS 67 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2daf n ASN 68 N -1.78 1.51 -0.42 4.39 3.02 -1.26 -4.40 115.26 116.33 2daf n ASN 68 Ca -0.03 -0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.61 2daf n ASN 68 Cb 0.34 0.42 0.42 0.00 -0.61 0.00 0.00 39.78 40.35 2daf n ASN 68 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2daf n ASN 69 N -2.81 1.43 -2.98 6.41 5.15 -1.26 -1.96 115.26 119.25 2daf n ASN 69 Ca -0.31 -1.30 -0.15 0.00 -0.60 0.00 0.00 54.58 52.22 2daf n ASN 69 Cb 0.98 0.07 0.11 0.00 -0.53 0.00 0.00 39.78 40.40 2daf n ASN 69 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2daf n GLU 70 N -0.07 -0.69 -3.80 1.20 -0.00 -1.26 -4.94 120.64 111.07 2daf n GLU 70 Ca 0.16 -1.05 -0.12 0.00 -0.00 0.00 0.00 57.16 56.14 2daf n GLU 70 Cb 0.37 -0.71 -0.11 0.00 -0.00 0.00 0.00 31.44 31.00 2daf n GLU 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2daf s THR 71 N -2.48 0.02 0.18 3.84 2.01 -1.26 -3.74 115.64 114.22 2daf s THR 71 Ca 0.39 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 2daf s THR 71 Cb -0.01 -0.38 0.09 0.00 0.01 0.00 0.00 72.50 72.21 2daf s THR 71 CO 0.27 -0.10 1.79 -0.07 -0.69 0.00 0.00 174.62 175.82 2daf h LEU 72 N 5.30 0.41 -1.83 4.42 -0.00 -1.88 -1.17 115.31 120.55 2daf h LEU 72 Ca -0.27 0.03 0.08 0.00 -0.00 0.00 0.00 57.88 57.72 2daf h LEU 72 Cb 1.19 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 2daf h LEU 72 CO 0.37 0.28 0.29 -0.37 -0.00 0.00 0.00 178.44 179.02 2daf h VAL 73 N 0.54 0.89 0.00 1.22 -1.51 -1.66 0.19 116.25 115.91 2daf h VAL 73 Ca 0.23 -0.07 -0.03 0.00 -1.23 0.00 0.00 66.70 65.61 2daf h VAL 73 Cb 0.13 0.67 -0.00 0.00 -2.13 0.00 0.00 31.29 29.96 2daf h VAL 73 CO -0.16 0.04 -0.12 1.56 -1.23 0.00 0.00 177.57 177.66 2daf h GLN 74 N 0.20 0.00 0.00 5.19 4.20 -1.52 -2.92 115.11 120.27 2daf h GLN 74 Ca 0.20 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.68 2daf h GLN 74 Cb 0.51 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.25 2daf h GLN 74 CO -0.03 0.12 -1.77 0.72 -0.67 0.00 0.00 178.83 177.19 2daf n HIS 75 N -3.29 0.66 0.00 2.96 8.25 0.50 -5.01 115.22 119.29 2daf n HIS 75 Ca 0.00 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 2daf n HIS 75 Cb 0.35 -1.03 0.00 0.00 1.12 0.00 0.00 29.99 30.43 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 1.50 0.51 2.91 -1.41 0.00 -0.27 -5.12 105.19 103.31 2daf n GLY 76 Ca -0.16 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.26 0.49 0.18 1.61 1.01 -1.15 -4.98 120.40 117.30 2daf s VAL 77 Ca 0.00 -0.14 0.03 0.00 0.00 0.00 0.00 61.98 61.87 2daf s VAL 77 Cb 0.00 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2daf s VAL 77 CO 0.00 0.20 0.31 -0.54 0.00 0.00 0.00 175.10 175.07 2daf s LYS 78 N 0.66 3.44 0.54 2.72 1.02 -1.26 -4.32 119.74 122.55 2daf s LYS 78 Ca -0.08 -0.64 -0.19 0.00 0.02 0.00 0.00 55.97 55.07 2daf s LYS 78 Cb -0.12 -2.94 -0.06 0.00 -0.52 0.00 0.00 37.83 34.20 2daf s LYS 78 CO -0.00 0.49 1.13 -1.25 -0.92 0.00 0.00 175.35 174.79 2daf s PRO 79 N -3.48 3.36 -1.22 -1.68 0.04 -1.26 -3.53 135.00 127.23 2daf s PRO 79 Ca 0.35 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 2daf s PRO 79 Cb -0.10 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2daf s PRO 79 CO 0.29 -0.84 0.79 1.04 0.04 0.00 0.00 177.00 178.32 2daf n GLN 80 N -1.29 -5.63 -4.47 4.56 6.02 0.15 -4.90 117.38 111.82 2daf n GLN 80 Ca 0.12 0.73 -0.26 0.00 -0.01 0.00 0.00 57.00 57.58 2daf n GLN 80 Cb 0.51 -5.34 -0.10 0.00 1.02 0.00 0.00 30.24 26.33 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 -5.86 1.94 -0.14 -1.09 -1.05 -1.23 -4.82 118.70 106.46 2daf s GLU 81 Ca 0.39 -1.89 -0.02 0.00 -0.15 0.00 0.00 54.97 53.30 2daf s GLU 81 Cb -0.17 -1.78 -0.02 0.00 -0.44 0.00 0.00 34.13 31.71 2daf s GLU 81 CO 0.49 0.11 -0.08 0.42 0.95 0.00 0.00 175.26 177.14 2daf s ILE 82 N -2.59 3.54 0.32 1.83 1.01 -1.26 0.10 121.20 124.15 2daf s ILE 82 Ca 0.34 -0.49 0.05 0.00 0.00 0.00 0.00 60.65 60.55 2daf s ILE 82 Cb 0.03 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2daf s ILE 82 CO 0.18 0.51 0.21 0.68 0.00 0.00 0.00 174.94 176.52 2daf s VAL 83 N 0.32 0.16 -0.07 2.92 -7.23 -0.71 -5.02 120.40 110.78 2daf s VAL 83 Ca -0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 2daf s VAL 83 Cb -0.15 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.34 2daf s VAL 83 CO 0.04 0.00 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.21 2daf s GLN 84 N -3.66 0.99 0.07 4.82 0.74 -1.26 -2.79 119.66 118.57 2daf s GLN 84 Ca 0.37 -0.10 0.05 0.00 0.05 0.00 0.00 55.36 55.73 2daf s GLN 84 Cb 0.04 -1.09 -0.03 0.00 1.10 0.00 0.00 33.01 33.03 2daf s GLN 84 CO 0.21 -0.18 -0.14 0.14 -0.55 0.00 0.00 175.29 174.78 2daf s VAL 85 N 1.38 1.10 -0.04 1.34 -7.23 -0.53 -4.67 120.40 111.74 2daf s VAL 85 Ca -0.03 -1.29 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 2daf s VAL 85 Cb -0.13 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.72 2daf s VAL 85 CO -0.03 -0.22 -0.19 -1.61 -0.31 0.00 0.00 175.10 172.74 2daf s GLU 86 N -1.72 2.40 -0.00 4.82 8.01 -0.92 -2.09 118.70 129.20 2daf s GLU 86 Ca -0.02 -0.78 0.06 0.00 0.01 0.00 0.00 54.97 54.23 2daf s GLU 86 Cb -0.10 -2.26 -0.03 0.00 -4.31 0.00 0.00 34.13 27.43 2daf s GLU 86 CO 0.02 0.58 -0.17 0.42 0.01 0.00 0.00 175.26 176.12 2daf s ILE 87 N -0.63 2.87 0.17 -1.63 1.01 -0.61 -1.93 121.20 120.45 2daf s ILE 87 Ca 0.10 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 2daf s ILE 87 Cb -0.11 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.27 2daf s ILE 87 CO 0.00 0.46 0.97 0.72 0.00 0.00 0.00 174.94 177.09 2daf s PHE 88 N -0.83 -0.09 0.01 3.97 -0.12 -1.18 -1.80 117.98 117.95 2daf s PHE 88 Ca 0.13 -0.25 0.06 0.00 -0.05 0.00 0.00 56.93 56.82 2daf s PHE 88 Cb -0.11 0.66 -0.03 0.00 -0.63 0.00 0.00 43.02 42.91 2daf s PHE 88 CO 0.03 -0.88 -0.17 0.45 -0.05 0.00 0.00 175.22 174.60 2daf s SER 89 N -3.03 3.84 0.28 1.98 0.15 -1.26 -1.15 113.70 114.51 2daf s SER 89 Ca 0.14 -0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.46 2daf s SER 89 Cb -0.02 -0.67 0.39 0.00 -1.71 0.00 0.00 66.02 64.02 2daf s SER 89 CO 0.03 0.28 1.69 0.71 1.20 0.00 0.00 173.24 177.15 2daf h THR 90 N 4.07 1.29 -2.84 6.45 1.35 -1.51 -3.37 112.91 118.34 2daf h THR 90 Ca -0.47 -1.42 -0.60 0.00 -0.55 0.00 0.00 66.41 63.36 2daf h THR 90 Cb 1.15 1.53 -0.40 0.00 -1.73 0.00 0.00 68.15 68.70 2daf h THR 90 CO 0.49 0.44 -0.77 0.21 -0.25 0.00 0.00 175.52 175.63 2daf s ASN 91 N -6.85 3.31 0.03 5.36 2.47 -1.26 -4.95 114.94 113.05 2daf s ASN 91 Ca -0.06 -2.85 0.15 0.00 0.42 0.00 0.00 52.86 50.52 2daf s ASN 91 Cb 0.13 -0.94 0.65 0.00 -1.45 0.00 0.00 41.25 39.65 2daf s ASN 91 CO 0.79 -0.22 1.48 -0.81 -3.72 0.00 0.00 177.10 174.62 2daf n PRO 92 N 3.22 0.02 0.06 0.43 -0.04 -1.26 -1.94 135.00 135.49 2daf n PRO 92 Ca 0.15 0.28 -0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2daf n PRO 92 Cb 0.37 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2daf n PRO 92 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2daf h ASP 93 N 0.00 0.55 0.00 3.54 1.82 -1.96 -3.06 116.42 117.31 2daf h ASP 93 Ca 0.00 -0.42 -0.28 0.00 -0.39 0.00 0.00 57.03 55.94 2daf h ASP 93 Cb 0.26 -0.17 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 2daf h ASP 93 CO 0.00 1.21 -1.62 0.18 -1.61 0.00 0.00 179.24 177.40 2daf n LEU 94 N -3.77 1.89 -3.71 2.28 4.77 -1.08 -4.78 117.00 112.59 2daf n LEU 94 Ca -0.06 0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 56.04 2daf n LEU 94 Cb 0.81 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 2daf n LEU 94 CO 0.51 0.30 -0.17 -0.31 -1.33 0.00 0.00 177.39 176.39 2daf s TYR 95 N -2.42 2.49 0.67 -1.77 1.51 -0.82 -5.11 117.35 111.89 2daf s TYR 95 Ca -0.31 -2.84 -0.15 0.00 -1.01 0.00 0.00 57.07 52.76 2daf s TYR 95 Cb 0.08 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2daf s TYR 95 CO 0.53 -0.69 1.11 -1.25 -1.11 0.00 0.00 175.55 174.14 2daf s PRO 96 N -0.58 2.77 0.02 -1.71 0.04 -1.16 -4.43 135.00 129.94 2daf s PRO 96 Ca 0.25 1.38 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2daf s PRO 96 Cb -0.07 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 2daf s PRO 96 CO -0.13 -1.28 0.33 0.08 0.04 0.00 0.00 177.00 176.04 2daf s VAL 97 N -2.37 5.19 0.21 -0.36 1.01 -1.26 -4.95 120.40 117.86 2daf s VAL 97 Ca 0.67 0.42 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2daf s VAL 97 Cb -0.20 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 2daf s VAL 97 CO 0.42 0.42 0.02 0.00 0.00 0.00 0.00 175.10 175.96 2daf s ARG 98 N -1.57 1.25 0.60 2.72 1.70 -1.26 -4.80 118.95 117.58 2daf s ARG 98 Ca 0.27 -1.63 -0.16 0.00 -0.47 0.00 0.00 55.73 53.74 2daf s ARG 98 Cb -0.14 -0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 33.82 2daf s ARG 98 CO 0.15 -0.15 1.07 -0.98 -1.08 0.00 0.00 175.30 174.30 2daf s ARG 99 N -3.92 3.25 0.20 3.89 1.70 -1.26 -4.97 118.95 117.84 2daf s ARG 99 Ca 0.28 1.25 -0.27 0.00 -0.47 0.00 0.00 55.73 56.52 2daf s ARG 99 Cb 0.06 -2.02 -0.08 0.00 -0.57 0.00 0.00 34.95 32.34 2daf s ARG 99 CO 0.08 -0.87 0.85 0.42 -1.08 0.00 0.00 175.30 174.69 2daf s ILE 100 N -2.39 4.25 0.20 4.99 -1.09 -1.26 -4.96 121.20 120.94 2daf s ILE 100 Ca 0.65 1.87 -0.22 0.00 -2.23 0.00 0.00 60.65 60.71 2daf s ILE 100 Cb -0.17 -4.22 0.13 0.00 -1.58 0.00 0.00 42.46 36.62 2daf s ILE 100 CO 0.37 0.51 1.53 -0.67 -1.23 0.00 0.00 174.94 175.45 2daf n ASP 101 N 1.57 -0.78 0.00 3.58 2.03 -1.26 -4.86 116.55 116.82 2daf n ASP 101 Ca -0.04 1.74 0.00 0.00 0.52 0.00 0.00 54.79 57.01 2daf n ASP 101 Cb 0.48 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 -1.39 0.71 2.52 0.27 0.00 -1.26 -4.51 105.19 101.54 2daf n GLY 102 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.10 -4.09 0.99 0.00 -1.26 -4.85 117.00 107.69 2daf n LEU 103 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 56.01 55.94 2daf n LEU 103 Cb 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 43.42 42.30 2daf n LEU 103 CO 0.00 0.01 -0.51 0.28 0.00 0.00 0.00 177.39 177.17 2daf s THR 104 N -1.93 1.72 0.03 1.96 -1.32 -1.26 -5.04 115.64 109.80 2daf s THR 104 Ca 0.10 -0.76 -0.28 0.00 -1.21 0.00 0.00 61.69 59.54 2daf s THR 104 Cb -0.06 -1.56 -0.17 0.00 -1.51 0.00 0.00 72.50 69.21 2daf s THR 104 CO 0.12 0.48 1.33 -0.78 -2.21 0.00 0.00 174.62 173.57 2daf h ASP 105 N 7.56 -0.56 -2.49 8.08 3.58 -1.95 -3.43 116.42 127.20 2daf h ASP 105 Ca -0.34 -0.06 -0.54 0.00 0.42 0.00 0.00 57.03 56.51 2daf h ASP 105 Cb 1.17 0.15 0.05 0.00 1.72 0.00 0.00 39.33 42.41 2daf h ASP 105 CO 0.53 -0.25 1.06 0.55 -2.88 0.00 0.00 179.24 178.25 2daf n VAL 106 N -5.29 0.25 -3.93 2.25 3.14 -1.26 -4.98 118.33 108.51 2daf n VAL 106 Ca -0.11 -0.04 -0.10 0.00 -2.96 0.00 0.00 64.34 61.13 2daf n VAL 106 Cb 0.31 -2.03 -0.06 0.00 -1.06 0.00 0.00 33.84 31.00 2daf n VAL 106 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2daf s SER 107 N 2.22 -0.04 -0.00 6.55 0.01 -1.26 -5.10 113.70 116.08 2daf s SER 107 Ca 0.80 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 57.25 2daf s SER 107 Cb -0.51 0.49 -0.00 0.00 0.21 0.00 0.00 66.02 66.20 2daf s SER 107 CO 0.37 -0.97 -0.03 0.00 0.41 0.00 0.00 173.24 173.02 2daf s GLN 108 N -3.97 0.25 0.21 12.44 -2.07 -1.26 -5.16 119.66 120.10 2daf s GLN 108 Ca 0.17 -0.14 0.11 0.00 -1.82 0.00 0.00 55.36 53.69 2daf s GLN 108 Cb 0.02 -0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 31.66 2daf s GLN 108 CO 0.02 0.06 -0.23 0.96 -1.32 0.00 0.00 175.29 174.78 2daf s ILE 109 N -0.14 2.40 -0.29 3.63 -5.25 -1.26 -5.14 121.20 115.15 2daf s ILE 109 Ca 0.00 -2.08 -0.16 0.00 -0.99 0.00 0.00 60.65 57.42 2daf s ILE 109 Cb -0.02 -2.17 0.16 0.00 2.95 0.00 0.00 42.46 43.39 2daf s ILE 109 CO -0.00 -0.16 1.03 -0.51 -1.79 0.00 0.00 174.94 173.50 2daf s ILE 110 N -1.81 -0.17 0.09 8.37 1.10 -1.26 -5.13 121.20 122.39 2daf s ILE 110 Ca 0.22 0.00 -0.35 0.00 -0.51 0.00 0.00 60.65 60.02 2daf s ILE 110 Cb -0.07 -1.00 -0.14 0.00 0.15 0.00 0.00 42.46 41.39 2daf s ILE 110 CO 0.11 0.00 1.57 0.35 -2.11 0.00 0.00 174.94 174.86 2daf n THR 111 N 4.08 0.10 -1.87 4.00 -2.24 -1.26 -4.89 114.28 112.20 2daf n THR 111 Ca -0.15 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 2daf n THR 111 Cb 0.56 -1.40 -0.01 0.00 -2.10 0.00 0.00 70.33 67.37 2daf n THR 111 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2daf s VAL 112 N 1.39 2.23 -0.52 2.28 0.11 -1.26 -4.84 120.40 119.79 2daf s VAL 112 Ca 0.83 0.21 -0.27 0.00 -2.93 0.00 0.00 61.98 59.82 2daf s VAL 112 Cb -0.76 -3.14 -0.09 0.00 -1.53 0.00 0.00 36.38 30.86 2daf s VAL 112 CO 0.43 0.05 2.43 -1.54 -3.33 0.00 0.00 175.10 173.14 2daf n SER 113 N 1.06 2.14 0.00 3.54 3.41 -1.26 -4.73 113.62 117.78 2daf n SER 113 Ca 0.03 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 2daf n SER 113 Cb 0.39 -1.49 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 2daf n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2daf n GLY 114 N 6.07 4.35 3.56 5.00 0.00 -1.26 -5.07 105.19 117.84 2daf n GLY 114 Ca 0.40 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.99 2.80 -0.29 1.61 0.04 -1.26 -4.90 135.00 130.00 2daf s PRO 115 Ca 0.00 0.76 -0.20 0.00 0.04 0.00 0.00 61.00 61.60 2daf s PRO 115 Cb 0.00 -4.34 0.15 0.00 0.04 0.00 0.00 34.50 30.35 2daf s PRO 115 CO 0.00 -2.52 1.07 0.45 0.04 0.00 0.00 177.00 176.04 2daf s SER 116 N 7.52 -0.40 0.27 6.66 0.15 -1.26 -5.18 113.70 121.46 2daf s SER 116 Ca 0.69 0.69 0.11 0.00 0.70 0.00 0.00 55.95 58.14 2daf s SER 116 Cb -0.14 0.95 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 2daf s SER 116 CO 0.23 -0.11 -0.14 -0.55 1.20 0.00 0.00 173.24 173.87 2daf s SER 117 N 0.77 3.87 0.00 5.45 0.15 -1.26 -4.99 113.70 117.70 2daf s SER 117 Ca -0.03 -0.89 0.29 0.00 0.70 0.00 0.00 55.95 56.02 2daf s SER 117 Cb -0.04 -0.47 1.36 0.00 -1.71 0.00 0.00 66.02 65.16 2daf s SER 117 CO -0.12 0.04 1.92 0.61 1.20 0.00 0.00 173.24 176.89