#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2daf s SER 2 N 0.00 6.29 -0.02 1.61 0.01 -1.26 -5.02 113.70 115.31 2daf s SER 2 Ca 0.00 -1.70 0.04 0.00 1.31 0.00 0.00 55.95 55.60 2daf s SER 2 Cb 0.00 -2.28 -0.00 0.00 0.21 0.00 0.00 66.02 63.94 2daf s SER 2 CO 0.00 -1.00 -0.13 -0.44 0.41 0.00 0.00 173.24 172.07 2daf s SER 3 N 3.45 1.64 1.27 2.44 0.01 -1.26 -5.14 113.70 116.10 2daf s SER 3 Ca 0.12 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 56.94 2daf s SER 3 Cb -0.22 -0.32 0.30 0.00 0.21 0.00 0.00 66.02 65.99 2daf s SER 3 CO 0.03 0.14 0.67 0.61 0.41 0.00 0.00 173.24 175.09 2daf n GLY 4 N 2.99 -3.27 3.58 3.44 0.00 -1.26 -4.78 105.19 105.89 2daf n GLY 4 Ca -0.16 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.60 6.54 -0.29 1.61 0.01 -1.26 -4.83 113.70 112.88 2daf s SER 5 Ca 0.53 -2.17 -0.17 0.00 1.31 0.00 0.00 55.95 55.44 2daf s SER 5 Cb -0.10 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.71 2daf s SER 5 CO 0.45 -1.48 1.06 -0.55 0.41 0.00 0.00 173.24 173.13 2daf s SER 6 N 4.69 -0.39 0.00 2.44 0.15 -1.26 -5.17 113.70 114.16 2daf s SER 6 Ca 0.55 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.84 2daf s SER 6 Cb 0.03 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 2daf s SER 6 CO 0.06 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.00 2daf n GLY 7 N 3.34 2.68 0.48 9.45 0.00 -1.26 -5.01 105.19 114.87 2daf n GLY 7 Ca -0.17 -1.97 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 2daf n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2daf n GLN 8 N 0.25 0.33 -1.56 1.61 7.27 -1.26 -5.01 117.38 119.01 2daf n GLN 8 Ca 0.00 0.14 -0.47 0.00 0.07 0.00 0.00 57.00 56.74 2daf n GLN 8 Cb 0.00 -1.07 -0.03 0.00 2.41 0.00 0.00 30.24 31.55 2daf n GLN 8 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 2daf n GLU 9 N -3.91 1.12 -3.68 3.69 2.13 -1.26 -4.96 120.64 113.77 2daf n GLU 9 Ca -0.20 0.39 -0.02 0.00 0.66 0.00 0.00 57.16 57.99 2daf n GLU 9 Cb 0.52 -1.77 -0.01 0.00 0.27 0.00 0.00 31.44 30.44 2daf n GLU 9 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2daf s SER 10 N -0.40 -0.15 0.64 4.31 0.15 -1.26 -5.16 113.70 111.83 2daf s SER 10 Ca 0.65 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.91 2daf s SER 10 Cb -0.79 0.35 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 2daf s SER 10 CO 0.57 -0.64 1.05 0.68 1.20 0.00 0.00 173.24 176.09 2daf s VAL 11 N -2.94 4.06 -0.17 4.45 -7.23 -1.26 -4.98 120.40 112.33 2daf s VAL 11 Ca 0.12 0.80 0.17 0.00 -1.81 0.00 0.00 61.98 61.26 2daf s VAL 11 Cb 0.01 -3.47 0.45 0.00 0.56 0.00 0.00 36.38 33.93 2daf s VAL 11 CO -0.01 -0.75 1.34 -1.84 -0.31 0.00 0.00 175.10 173.53 2daf n GLU 12 N -2.58 2.29 -0.01 4.82 0.28 -1.26 -4.64 120.64 119.54 2daf n GLU 12 Ca 0.08 -2.81 -0.12 0.00 -0.16 0.00 0.00 57.16 54.15 2daf n GLU 12 Cb 0.53 -1.73 -0.07 0.00 1.43 0.00 0.00 31.44 31.60 2daf n GLU 12 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2daf h ASP 13 N 1.16 0.10 0.08 -1.84 1.82 -2.00 -3.33 116.42 112.42 2daf h ASP 13 Ca 0.02 -0.24 -0.22 0.00 -0.39 0.00 0.00 57.03 56.20 2daf h ASP 13 Cb 1.32 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.30 2daf h ASP 13 CO 0.16 0.32 -1.11 0.28 -1.61 0.00 0.00 179.24 177.28 2daf h SER 14 N -0.12 0.28 -1.02 2.28 0.02 -1.94 -3.34 113.55 109.70 2daf h SER 14 Ca 0.02 -0.83 -0.66 0.00 -0.84 0.00 0.00 61.79 59.48 2daf h SER 14 Cb 0.26 -0.09 0.11 0.00 0.14 0.00 0.00 62.40 62.82 2daf h SER 14 CO 0.00 1.48 -0.55 0.18 -1.14 0.00 0.00 176.83 176.81 2daf n LEU 15 N -4.13 -1.32 -4.19 5.07 4.77 -1.25 -3.37 117.00 112.58 2daf n LEU 15 Ca -0.23 1.10 -0.26 0.00 -0.03 0.00 0.00 56.01 56.59 2daf n LEU 15 Cb 0.80 -0.93 -0.15 0.00 -2.33 0.00 0.00 43.42 40.80 2daf n LEU 15 CO 0.37 -3.02 -0.51 0.00 -1.33 0.00 0.00 177.39 172.90 2daf s ALA 16 N -1.02 1.57 -0.70 -1.18 0.00 -0.25 -0.75 121.76 119.43 2daf s ALA 16 Ca 0.63 -0.82 -0.26 0.00 0.00 0.00 0.00 51.96 51.51 2daf s ALA 16 Cb -0.90 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2daf s ALA 16 CO 0.56 0.38 1.75 0.99 0.00 0.00 0.00 175.76 179.45 2daf s THR 17 N -0.46 3.46 -0.37 0.00 2.01 0.91 -1.28 115.64 119.90 2daf s THR 17 Ca 0.07 0.10 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 2daf s THR 17 Cb -0.07 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.28 2daf s THR 17 CO -0.01 -1.13 0.23 -0.69 -0.69 0.00 0.00 174.62 172.34 2daf s VAL 18 N 8.47 4.88 -0.03 3.82 1.01 -1.22 -2.18 120.40 135.16 2daf s VAL 18 Ca 0.61 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2daf s VAL 18 Cb -0.10 -3.66 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2daf s VAL 18 CO 0.15 -0.19 1.02 -0.54 0.00 0.00 0.00 175.10 175.54 2daf s LYS 19 N 1.62 4.50 -0.20 2.72 1.02 -1.15 -3.36 119.74 124.90 2daf s LYS 19 Ca 0.04 1.45 -0.04 0.00 0.02 0.00 0.00 55.97 57.45 2daf s LYS 19 Cb -0.19 -3.48 -0.01 0.00 -0.52 0.00 0.00 37.83 33.63 2daf s LYS 19 CO 0.08 -0.16 -0.04 0.08 -0.92 0.00 0.00 175.35 174.38 2daf s VAL 20 N 1.36 3.51 -0.10 3.17 1.01 0.19 -1.47 120.40 128.07 2daf s VAL 20 Ca 0.52 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.07 2daf s VAL 20 Cb -0.21 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.60 2daf s VAL 20 CO 0.25 0.44 -0.22 -0.69 0.00 0.00 0.00 175.10 174.88 2daf s VAL 21 N 1.10 1.96 -0.07 2.92 1.01 -0.56 0.48 120.40 127.24 2daf s VAL 21 Ca 0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2daf s VAL 21 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 2daf s VAL 21 CO -0.00 0.54 0.98 -0.76 0.00 0.00 0.00 175.10 175.85 2daf s LEU 22 N 0.48 4.29 -0.03 3.92 1.43 -0.14 -0.22 118.68 128.41 2daf s LEU 22 Ca -0.16 1.54 -0.19 0.00 -1.03 0.00 0.00 54.13 54.29 2daf s LEU 22 Cb -0.17 -3.53 -0.11 0.00 0.03 0.00 0.00 46.19 42.40 2daf s LEU 22 CO 0.06 -0.37 0.81 0.40 0.23 0.00 0.00 176.35 177.48 2daf h ILE 23 N 4.99 0.19 -0.19 -0.59 1.08 -1.16 0.89 117.51 122.72 2daf h ILE 23 Ca -0.34 -0.62 -0.13 0.00 -0.39 0.00 0.00 64.86 63.38 2daf h ILE 23 Cb 1.17 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2daf h ILE 23 CO 0.82 0.04 -0.44 1.55 -0.69 0.00 0.00 178.15 179.43 2daf h PRO 24 N -1.09 0.46 0.06 2.37 0.13 -1.92 -3.30 132.00 128.71 2daf h PRO 24 Ca -0.06 -0.24 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 2daf h PRO 24 Cb 0.50 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.63 2daf h PRO 24 CO 0.09 0.81 -1.12 0.28 -0.23 0.00 0.00 178.00 177.84 2daf h VAL 25 N 0.37 1.14 0.00 1.56 2.07 -1.82 -3.48 116.25 116.09 2daf h VAL 25 Ca 0.03 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.22 2daf h VAL 25 Cb 0.92 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2daf h VAL 25 CO 0.08 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.86 2daf n GLY 26 N 1.63 1.17 3.78 2.17 0.00 0.31 -4.99 105.19 109.26 2daf n GLY 26 Ca -0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.49 3.05 -0.05 1.61 0.74 -1.25 -4.64 119.66 118.63 2daf s GLN 27 Ca 0.00 1.41 0.02 0.00 0.05 0.00 0.00 55.36 56.84 2daf s GLN 27 Cb 0.00 -1.98 -0.03 0.00 1.10 0.00 0.00 33.01 32.10 2daf s GLN 27 CO 0.00 -1.05 -0.08 -1.21 -0.55 0.00 0.00 175.29 172.39 2daf s GLU 28 N -3.87 2.66 0.06 1.67 2.02 -1.26 -0.96 118.70 119.01 2daf s GLU 28 Ca 0.68 -0.61 0.02 0.00 0.02 0.00 0.00 54.97 55.08 2daf s GLU 28 Cb -0.20 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.46 2daf s GLU 28 CO 0.37 0.65 -0.07 0.42 0.02 0.00 0.00 175.26 176.64 2daf s ILE 29 N -0.83 0.56 -0.16 -1.63 1.01 0.18 -4.93 121.20 115.39 2daf s ILE 29 Ca 0.13 -1.34 -0.02 0.00 0.00 0.00 0.00 60.65 59.42 2daf s ILE 29 Cb -0.11 -0.93 0.05 0.00 0.01 0.00 0.00 42.46 41.48 2daf s ILE 29 CO 0.02 -0.54 0.00 -0.69 0.00 0.00 0.00 174.94 173.73 2daf s VAL 30 N -2.10 0.69 -0.06 2.92 1.01 -1.26 -0.64 120.40 120.96 2daf s VAL 30 Ca -0.03 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2daf s VAL 30 Cb -0.05 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.34 2daf s VAL 30 CO -0.01 -0.02 0.12 -0.51 0.00 0.00 0.00 175.10 174.68 2daf s ILE 31 N 1.81 -0.08 0.01 2.22 2.07 -1.21 -5.04 121.20 120.97 2daf s ILE 31 Ca 0.01 0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.16 2daf s ILE 31 Cb -0.16 -0.21 -0.06 0.00 0.13 0.00 0.00 42.46 42.17 2daf s ILE 31 CO -0.07 0.09 1.45 -2.16 -1.91 0.00 0.00 174.94 172.33 2daf s PRO 32 N 1.31 4.26 -0.04 3.50 0.04 -1.26 -3.37 135.00 139.44 2daf s PRO 32 Ca -0.07 2.02 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2daf s PRO 32 Cb -0.12 -3.59 -0.00 0.00 0.04 0.00 0.00 34.50 30.82 2daf s PRO 32 CO -0.05 -0.61 -0.17 0.12 0.04 0.00 0.00 177.00 176.33 2daf s PHE 33 N 2.51 1.66 0.24 0.56 5.36 -0.41 -4.86 117.98 123.05 2daf s PHE 33 Ca 0.65 -0.46 -0.31 0.00 -0.96 0.00 0.00 56.93 55.86 2daf s PHE 33 Cb -0.33 -1.11 -0.11 0.00 -0.34 0.00 0.00 43.02 41.13 2daf s PHE 33 CO 0.27 -0.15 1.56 0.15 -1.46 0.00 0.00 175.22 175.59 2daf s LYS 34 N 0.00 4.19 0.13 10.12 -0.14 -1.26 -1.09 119.74 131.69 2daf s LYS 34 Ca -0.03 2.45 -0.08 0.00 -1.36 0.00 0.00 55.97 56.95 2daf s LYS 34 Cb -0.11 -3.08 -0.08 0.00 -1.68 0.00 0.00 37.83 32.88 2daf s LYS 34 CO 0.02 -0.57 1.35 -0.39 -0.76 0.00 0.00 175.35 174.99 2daf h VAL 35 N 3.62 1.32 -0.38 3.17 -1.51 -1.91 -3.16 116.25 117.39 2daf h VAL 35 Ca -0.45 -2.07 -0.23 0.00 -1.23 0.00 0.00 66.70 62.72 2daf h VAL 35 Cb 1.21 2.07 -0.11 0.00 -2.13 0.00 0.00 31.29 32.33 2daf h VAL 35 CO 0.83 0.64 0.30 -0.90 -1.23 0.00 0.00 177.57 177.21 2daf n ASP 36 N -3.89 4.95 -3.93 4.19 5.75 -1.26 -2.18 116.55 120.18 2daf n ASP 36 Ca -0.06 -2.79 -0.15 0.00 -0.01 0.00 0.00 54.79 51.78 2daf n ASP 36 Cb 0.75 -0.88 -0.14 0.00 -1.03 0.00 0.00 41.12 39.81 2daf n ASP 36 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2daf s THR 37 N -1.57 0.29 1.11 2.12 2.01 -1.20 -5.03 115.64 113.38 2daf s THR 37 Ca 0.23 -0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 2daf s THR 37 Cb 0.19 -0.25 0.09 0.00 0.01 0.00 0.00 72.50 72.54 2daf s THR 37 CO 0.02 0.08 -0.06 2.30 -0.69 0.00 0.00 174.62 176.27 2daf n ILE 38 N 3.03 0.00 -0.01 1.82 -6.64 -1.26 -4.10 119.36 112.20 2daf n ILE 38 Ca -0.13 -0.29 -0.05 0.00 -1.77 0.00 0.00 62.75 60.51 2daf n ILE 38 Cb 0.58 -0.58 -0.12 0.00 -1.44 0.00 0.00 39.64 38.09 2daf n ILE 38 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2daf n LEU 39 N -1.44 0.75 0.00 7.28 4.77 -1.12 -4.51 117.00 122.73 2daf n LEU 39 Ca 0.01 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2daf n LEU 39 Cb 0.63 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2daf n LEU 39 CO 0.52 0.30 0.31 1.17 -1.33 0.00 0.00 177.39 178.35 2daf n LYS 40 N -2.93 0.00 -0.20 3.23 4.81 -1.21 -0.76 118.16 121.10 2daf n LYS 40 Ca -0.16 0.62 -0.05 0.00 -0.87 0.00 0.00 58.31 57.85 2daf n LYS 40 Cb 0.97 -0.95 -0.05 0.00 0.02 0.00 0.00 35.03 35.02 2daf n LYS 40 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2daf n TYR 41 N -2.46 -0.21 -0.34 5.64 4.01 -1.26 0.18 117.16 122.73 2daf n TYR 41 Ca 0.00 0.59 0.24 0.00 -0.16 0.00 0.00 57.90 58.57 2daf n TYR 41 Cb 0.00 -0.50 0.53 0.00 -0.31 0.00 0.00 39.34 39.06 2daf n TYR 41 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2daf h LEU 42 N 0.00 0.42 0.58 7.72 5.85 -1.25 0.88 115.31 129.50 2daf h LEU 42 Ca 0.08 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2daf h LEU 42 Cb 0.19 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.26 2daf h LEU 42 CO -0.44 0.05 -0.28 0.50 -0.34 0.00 0.00 178.44 177.93 2daf h LYS 43 N 0.35 -0.75 -0.34 1.25 3.64 0.42 -3.09 116.57 118.05 2daf h LYS 43 Ca 0.62 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 60.15 2daf h LYS 43 Cb 1.63 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.61 2daf h LYS 43 CO -0.31 -0.50 0.38 0.22 -2.27 0.00 0.00 179.45 176.97 2daf h ASP 44 N -1.21 0.00 -0.65 4.20 1.82 0.18 0.12 116.42 120.88 2daf h ASP 44 Ca -0.08 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.52 2daf h ASP 44 Cb 0.60 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.58 2daf h ASP 44 CO 0.13 0.00 0.27 -0.74 -1.61 0.00 0.00 179.24 177.29 2daf h HIS 45 N 0.00 1.00 0.05 0.28 2.76 -0.78 -1.94 115.15 116.52 2daf h HIS 45 Ca 0.16 -0.06 -0.31 0.00 -2.20 0.00 0.00 60.37 57.96 2daf h HIS 45 Cb 0.93 -0.30 -0.04 0.00 1.55 0.00 0.00 27.41 29.55 2daf h HIS 45 CO 0.00 0.76 -1.75 0.74 -1.30 0.00 0.00 177.93 176.38 2daf h PHE 46 N 0.97 0.18 0.73 5.26 -1.00 -0.84 -3.26 116.94 118.98 2daf h PHE 46 Ca 0.23 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 2daf h PHE 46 Cb 0.18 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2daf h PHE 46 CO 0.01 1.26 -0.43 0.66 -1.61 0.00 0.00 178.31 178.20 2daf h SER 47 N 0.03 -1.08 0.24 2.17 4.64 -1.00 0.18 113.55 118.72 2daf h SER 47 Ca -0.31 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2daf h SER 47 Cb 2.01 0.31 -0.01 0.00 -0.31 0.00 0.00 62.40 64.40 2daf h SER 47 CO 0.09 -0.68 -0.21 1.12 -0.87 0.00 0.00 176.83 176.28 2daf h HIS 48 N -1.09 -0.55 0.09 4.77 2.07 -1.45 0.45 115.15 119.44 2daf h HIS 48 Ca -0.10 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.45 2daf h HIS 48 Cb 0.87 0.21 -0.05 0.00 2.57 0.00 0.00 27.41 31.01 2daf h HIS 48 CO -0.09 -0.32 -0.46 1.25 -3.07 0.00 0.00 177.93 175.24 2daf h LEU 49 N -0.47 -1.38 -2.62 6.12 7.12 -1.59 0.12 115.31 122.61 2daf h LEU 49 Ca -0.01 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.16 2daf h LEU 49 Cb 0.43 0.52 -0.00 0.00 -0.53 0.00 0.00 40.66 41.08 2daf h LEU 49 CO -0.03 -0.51 0.12 -0.07 -0.13 0.00 0.00 178.44 177.81 2daf h LEU 50 N -0.68 0.00 0.00 2.25 3.38 -0.55 -3.45 115.31 116.26 2daf h LEU 50 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2daf h LEU 50 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2daf h LEU 50 CO -0.28 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.86 2daf n GLY 51 N -1.15 0.75 3.48 0.83 0.00 0.41 -4.82 105.19 104.69 2daf n GLY 51 Ca -0.02 0.00 -0.29 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 -2.56 2.79 0.73 -0.61 -4.36 -0.02 -4.96 121.20 112.21 2daf s ILE 52 Ca 0.00 -1.61 -0.12 0.00 -0.26 0.00 0.00 60.65 58.66 2daf s ILE 52 Cb 0.00 -2.30 0.04 0.00 1.25 0.00 0.00 42.46 41.45 2daf s ILE 52 CO 0.00 0.04 1.10 -2.16 0.24 0.00 0.00 174.94 174.16 2daf s PRO 53 N -2.30 2.44 0.43 0.37 0.04 -1.26 -3.78 135.00 130.93 2daf s PRO 53 Ca 0.19 1.24 0.25 0.00 0.04 0.00 0.00 61.00 62.72 2daf s PRO 53 Cb -0.10 -1.92 0.54 0.00 0.04 0.00 0.00 34.50 33.07 2daf s PRO 53 CO 0.10 -1.51 1.68 1.12 0.04 0.00 0.00 177.00 178.44 2daf h HIS 54 N -0.73 0.00 -0.94 0.56 2.07 -1.91 -3.17 115.15 111.03 2daf h HIS 54 Ca -0.45 0.00 0.16 0.00 -2.85 0.00 0.00 60.37 57.23 2daf h HIS 54 Cb 1.24 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.13 2daf h HIS 54 CO 0.57 0.00 0.60 1.03 -3.07 0.00 0.00 177.93 177.06 2daf h SER 55 N 0.00 0.70 0.05 3.10 0.87 -2.02 -2.82 113.55 113.44 2daf h SER 55 Ca 0.00 0.06 -0.30 0.00 -1.23 0.00 0.00 61.79 60.32 2daf h SER 55 Cb 0.90 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 2daf h SER 55 CO 0.00 0.32 -1.63 1.33 -0.53 0.00 0.00 176.83 176.32 2daf n VAL 56 N -4.61 1.64 -2.11 2.23 0.24 -1.23 -4.91 118.33 109.57 2daf n VAL 56 Ca 0.19 -0.31 -0.41 0.00 -2.04 0.00 0.00 64.34 61.78 2daf n VAL 56 Cb 0.51 -1.90 -0.02 0.00 -1.47 0.00 0.00 33.84 30.96 2daf n VAL 56 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2daf s LEU 57 N -7.50 4.42 0.23 1.34 2.96 -1.07 -2.01 118.68 117.06 2daf s LEU 57 Ca -0.26 2.69 -0.01 0.00 -0.22 0.00 0.00 54.13 56.33 2daf s LEU 57 Cb 0.07 -3.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 2daf s LEU 57 CO 0.66 -0.54 0.21 -1.10 -1.32 0.00 0.00 176.35 174.26 2daf s GLN 58 N -1.81 1.35 0.06 1.98 -1.52 -0.22 -4.78 119.66 114.71 2daf s GLN 58 Ca 0.49 -1.64 0.06 0.00 -1.95 0.00 0.00 55.36 52.31 2daf s GLN 58 Cb -0.40 0.31 -0.03 0.00 -0.22 0.00 0.00 33.01 32.68 2daf s GLN 58 CO 0.53 -0.48 -0.16 0.42 -0.25 0.00 0.00 175.29 175.35 2daf s ILE 59 N -3.99 1.29 -0.02 1.08 1.01 -1.26 -2.87 121.20 116.43 2daf s ILE 59 Ca 0.37 -1.17 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2daf s ILE 59 Cb 0.05 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.33 2daf s ILE 59 CO 0.14 -0.02 -0.22 -0.60 0.00 0.00 0.00 174.94 174.24 2daf s ARG 60 N -1.38 1.86 -0.21 2.79 3.52 -0.94 -3.72 118.95 120.86 2daf s ARG 60 Ca 0.02 -0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 54.70 2daf s ARG 60 Cb -0.09 -1.77 0.07 0.00 -1.56 0.00 0.00 34.95 31.59 2daf s ARG 60 CO 0.02 0.47 0.52 -0.47 -0.81 0.00 0.00 175.30 175.03 2daf s TYR 61 N -0.49 -0.78 -1.85 5.12 5.04 -0.92 -3.08 117.35 120.39 2daf s TYR 61 Ca 0.08 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 2daf s TYR 61 Cb -0.09 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.63 2daf s TYR 61 CO -0.01 -0.41 0.00 0.43 -1.34 0.00 0.00 175.55 174.22 2daf n SER 62 N 4.22 -5.34 0.00 4.32 7.64 -1.26 -0.46 113.62 122.73 2daf n SER 62 Ca -0.22 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2daf n SER 62 Cb 0.57 -4.60 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 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 -0.68 0.55 3.33 0.23 0.00 -1.26 -5.00 105.19 102.36 2daf n GLY 63 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 2daf n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2daf s LYS 64 N -0.38 2.24 -0.31 1.61 -2.85 0.39 -5.10 119.74 115.34 2daf s LYS 64 Ca 0.00 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 53.79 2daf s LYS 64 Cb 0.00 -2.11 0.01 0.00 -2.06 0.00 0.00 37.83 33.67 2daf s LYS 64 CO 0.00 0.54 1.16 0.42 0.10 0.00 0.00 175.35 177.57 2daf s ILE 65 N -0.55 4.37 0.68 3.79 -1.09 -1.26 -2.16 121.20 124.98 2daf s ILE 65 Ca 0.08 1.57 -0.11 0.00 -2.23 0.00 0.00 60.65 59.96 2daf s ILE 65 Cb -0.11 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.45 2daf s ILE 65 CO -0.00 -0.47 1.06 -0.76 -1.23 0.00 0.00 174.94 173.54 2daf s LEU 66 N 3.89 3.05 0.34 2.97 1.43 -1.24 -5.02 118.68 124.10 2daf s LEU 66 Ca 0.49 1.36 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 2daf s LEU 66 Cb -0.14 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 2daf s LEU 66 CO 0.18 -1.22 0.11 -0.75 0.23 0.00 0.00 176.35 174.90 2daf s LYS 67 N -5.20 2.30 -0.03 1.70 2.20 -1.26 -4.82 119.74 114.62 2daf s LYS 67 Ca 0.57 -1.61 -0.26 0.00 -0.36 0.00 0.00 55.97 54.31 2daf s LYS 67 Cb -0.12 -2.11 -0.21 0.00 -1.51 0.00 0.00 37.83 33.89 2daf s LYS 67 CO 0.54 0.11 1.21 -2.95 -0.36 0.00 0.00 175.35 173.89 2daf h ASN 68 N 1.60 0.04 0.14 1.43 -1.07 -1.98 -2.95 115.58 112.79 2daf h ASN 68 Ca -0.43 -0.56 0.00 0.00 0.07 0.00 0.00 56.30 55.38 2daf h ASN 68 Cb 1.25 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.49 2daf h ASN 68 CO 0.64 0.59 0.00 -3.20 0.07 0.00 0.00 177.43 175.53 2daf n ASN 69 N -4.79 0.00 -4.89 6.14 2.85 -1.26 -2.77 115.26 110.54 2daf n ASN 69 Ca -0.08 -0.19 -0.29 0.00 -0.11 0.00 0.00 54.58 53.91 2daf n ASN 69 Cb 0.30 -0.15 0.00 0.00 1.24 0.00 0.00 39.78 41.17 2daf n ASN 69 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2daf s GLU 70 N -2.29 3.56 0.09 1.20 0.41 -1.11 -4.95 118.70 115.61 2daf s GLU 70 Ca 0.18 0.45 0.09 0.00 -0.41 0.00 0.00 54.97 55.28 2daf s GLU 70 Cb 0.10 -2.24 -0.03 0.00 -1.78 0.00 0.00 34.13 30.18 2daf s GLU 70 CO 0.20 -0.38 -0.24 0.99 -0.49 0.00 0.00 175.26 175.33 2daf s THR 71 N -2.95 1.96 0.18 3.63 2.01 -1.26 -2.97 115.64 116.24 2daf s THR 71 Ca 0.51 -1.53 -0.13 0.00 0.31 0.00 0.00 61.69 60.84 2daf s THR 71 Cb -0.11 -1.74 0.08 0.00 0.01 0.00 0.00 72.50 70.74 2daf s THR 71 CO 0.49 0.11 1.82 -0.07 -0.69 0.00 0.00 174.62 176.28 2daf h LEU 72 N 4.26 0.54 -1.70 4.42 -0.00 -1.68 -1.42 115.31 119.73 2daf h LEU 72 Ca -0.47 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.37 2daf h LEU 72 Cb 1.17 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 2daf h LEU 72 CO 0.41 0.38 -0.18 -0.37 -0.00 0.00 0.00 178.44 178.68 2daf h VAL 73 N 0.65 0.77 0.00 1.22 -1.51 -1.61 -1.23 116.25 114.54 2daf h VAL 73 Ca 0.21 -0.72 -0.06 0.00 -1.23 0.00 0.00 66.70 64.91 2daf h VAL 73 Cb 0.00 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2daf h VAL 73 CO -0.09 0.18 -0.27 1.56 -1.23 0.00 0.00 177.57 177.72 2daf h GLN 74 N 0.00 0.00 0.10 5.19 4.20 -1.56 -3.19 115.11 119.85 2daf h GLN 74 Ca -0.00 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.34 2daf h GLN 74 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2daf h GLN 74 CO 0.02 0.27 -2.09 0.72 -0.67 0.00 0.00 178.83 177.08 2daf n HIS 75 N -3.58 1.02 0.00 2.96 8.25 -0.77 -5.00 115.22 118.10 2daf n HIS 75 Ca -0.01 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2daf n HIS 75 Cb 0.41 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.39 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 2.05 -0.21 3.00 -1.41 0.00 -0.54 -5.14 105.19 102.95 2daf n GLY 76 Ca -0.35 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2daf n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2daf s VAL 77 N 0.00 0.87 0.20 1.61 1.01 -1.00 -4.98 120.40 118.11 2daf s VAL 77 Ca 0.00 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.65 2daf s VAL 77 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 2daf s VAL 77 CO 0.00 0.28 0.23 -0.54 0.00 0.00 0.00 175.10 175.07 2daf s LYS 78 N 0.38 3.14 0.49 2.72 1.02 -1.26 -4.25 119.74 121.98 2daf s LYS 78 Ca -0.07 -0.85 -0.22 0.00 0.02 0.00 0.00 55.97 54.86 2daf s LYS 78 Cb -0.11 -2.74 -0.07 0.00 -0.52 0.00 0.00 37.83 34.39 2daf s LYS 78 CO 0.01 0.45 1.15 -1.25 -0.92 0.00 0.00 175.35 174.80 2daf s PRO 79 N -3.55 3.61 -1.32 -1.68 0.04 -1.26 -3.55 135.00 127.28 2daf s PRO 79 Ca 0.33 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 2daf s PRO 79 Cb -0.09 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2daf s PRO 79 CO 0.26 -0.66 1.05 1.04 0.04 0.00 0.00 177.00 178.73 2daf n GLN 80 N -0.78 -6.91 -4.57 4.56 6.02 0.07 -4.95 117.38 110.82 2daf n GLN 80 Ca 0.09 0.78 -0.26 0.00 -0.01 0.00 0.00 57.00 57.60 2daf n GLN 80 Cb 0.49 -5.76 -0.11 0.00 1.02 0.00 0.00 30.24 25.89 2daf n GLN 80 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2daf s GLU 81 N -6.01 1.87 -0.16 -1.09 -1.05 -1.23 -4.86 118.70 106.17 2daf s GLU 81 Ca 0.34 -2.02 0.00 0.00 -0.15 0.00 0.00 54.97 53.14 2daf s GLU 81 Cb -0.16 -1.55 0.00 0.00 -0.44 0.00 0.00 34.13 31.98 2daf s GLU 81 CO 0.75 -0.00 -0.16 0.42 0.95 0.00 0.00 175.26 177.22 2daf s ILE 82 N -2.76 2.60 0.28 1.83 1.01 -1.26 -0.07 121.20 122.84 2daf s ILE 82 Ca 0.34 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.22 2daf s ILE 82 Cb 0.07 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2daf s ILE 82 CO 0.17 0.52 0.08 1.33 0.00 0.00 0.00 174.94 177.03 2daf n VAL 83 N 4.13 0.00 -3.58 2.92 0.24 -0.93 -5.04 118.33 116.07 2daf n VAL 83 Ca -0.19 -1.56 -0.16 0.00 -2.04 0.00 0.00 64.34 60.39 2daf n VAL 83 Cb 0.52 0.51 -0.14 0.00 -1.47 0.00 0.00 33.84 33.26 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 -3.05 0.14 0.05 7.34 0.74 -1.26 -2.93 119.66 120.69 2daf s GLN 84 Ca 0.11 0.46 0.07 0.00 0.05 0.00 0.00 55.36 56.05 2daf s GLN 84 Cb 0.01 -0.61 -0.03 0.00 1.10 0.00 0.00 33.01 33.47 2daf s GLN 84 CO 0.08 -0.46 -0.20 0.14 -0.55 0.00 0.00 175.29 174.30 2daf s VAL 85 N 2.35 1.62 -0.09 1.34 -7.23 -0.54 -4.83 120.40 113.02 2daf s VAL 85 Ca 0.04 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.95 2daf s VAL 85 Cb -0.14 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 2daf s VAL 85 CO -0.10 0.13 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.19 2daf s GLU 86 N -1.32 2.98 -0.02 4.82 8.01 -1.18 -1.50 118.70 130.50 2daf s GLU 86 Ca 0.07 -0.47 0.03 0.00 0.01 0.00 0.00 54.97 54.61 2daf s GLU 86 Cb -0.09 -2.74 -0.03 0.00 -4.31 0.00 0.00 34.13 26.96 2daf s GLU 86 CO 0.02 0.64 -0.08 0.42 0.01 0.00 0.00 175.26 176.27 2daf s ILE 87 N -0.71 3.60 0.10 -1.63 1.01 0.69 -2.20 121.20 122.06 2daf s ILE 87 Ca 0.11 -0.71 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 2daf s ILE 87 Cb -0.11 -2.53 0.08 0.00 0.01 0.00 0.00 42.46 39.90 2daf s ILE 87 CO 0.02 0.45 0.82 0.72 0.00 0.00 0.00 174.94 176.95 2daf s PHE 88 N -0.93 -0.32 -0.00 3.97 -0.12 -1.14 -0.54 117.98 118.89 2daf s PHE 88 Ca 0.16 0.10 0.05 0.00 -0.05 0.00 0.00 56.93 57.19 2daf s PHE 88 Cb -0.11 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.83 2daf s PHE 88 CO 0.06 -0.75 -0.15 0.45 -0.05 0.00 0.00 175.22 174.77 2daf s SER 89 N -2.70 3.98 0.14 1.98 0.15 -1.26 -1.06 113.70 114.93 2daf s SER 89 Ca 0.06 -0.30 -0.07 0.00 0.70 0.00 0.00 55.95 56.35 2daf s SER 89 Cb -0.02 -0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 63.49 2daf s SER 89 CO -0.06 0.30 1.37 0.71 1.20 0.00 0.00 173.24 176.76 2daf h THR 90 N 4.09 1.33 -3.31 6.45 1.35 -1.76 -3.37 112.91 117.69 2daf h THR 90 Ca -0.47 -2.09 -0.70 0.00 -0.55 0.00 0.00 66.41 62.60 2daf h THR 90 Cb 1.15 2.08 -0.36 0.00 -1.73 0.00 0.00 68.15 69.29 2daf h THR 90 CO 0.50 0.64 -0.13 0.20 -0.25 0.00 0.00 175.52 176.47 2daf s ASN 91 N -7.04 5.90 0.21 5.36 -0.87 -1.26 -4.89 114.94 112.34 2daf s ASN 91 Ca -0.08 -3.69 -0.03 0.00 -1.57 0.00 0.00 52.86 47.49 2daf s ASN 91 Cb 0.09 -1.89 0.17 0.00 -0.02 0.00 0.00 41.25 39.60 2daf s ASN 91 CO 0.87 -0.19 1.56 1.55 -2.57 0.00 0.00 177.10 178.33 2daf h PRO 92 N 6.02 0.61 -0.79 -0.60 0.13 -1.74 0.36 132.00 136.00 2daf h PRO 92 Ca 0.15 -0.32 -0.03 0.00 -0.87 0.00 0.00 66.00 64.93 2daf h PRO 92 Cb 0.82 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.92 2daf h PRO 92 CO 0.84 0.92 0.39 -0.44 -0.23 0.00 0.00 178.00 179.48 2daf h ASP 93 N 0.50 1.02 0.00 1.44 3.32 -1.96 -1.31 116.42 119.43 2daf h ASP 93 Ca 0.04 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.84 2daf h ASP 93 Cb 0.94 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 2daf h ASP 93 CO 0.08 0.85 -0.83 -0.07 -1.72 0.00 0.00 179.24 177.55 2daf h LEU 94 N 1.12 0.00 -6.90 1.55 3.38 -1.96 -3.43 115.31 109.07 2daf h LEU 94 Ca 0.27 -0.53 -0.61 0.00 0.09 0.00 0.00 57.88 57.11 2daf h LEU 94 Cb 0.09 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.44 2daf h LEU 94 CO -0.04 1.25 -0.69 -0.31 0.09 0.00 0.00 178.44 178.74 2daf s TYR 95 N -2.28 2.84 0.21 1.13 1.51 0.13 -5.10 117.35 115.79 2daf s TYR 95 Ca -0.24 -3.03 -0.30 0.00 -1.01 0.00 0.00 57.07 52.49 2daf s TYR 95 Cb 0.03 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.59 2daf s TYR 95 CO 0.54 -0.64 1.30 -1.25 -1.11 0.00 0.00 175.55 174.39 2daf s PRO 96 N -0.95 4.40 -0.20 -1.71 0.04 -0.50 -4.25 135.00 131.84 2daf s PRO 96 Ca 0.26 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 2daf s PRO 96 Cb -0.04 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2daf s PRO 96 CO -0.16 -0.23 1.31 0.08 0.04 0.00 0.00 177.00 178.04 2daf s VAL 97 N 0.02 4.19 0.64 -0.36 1.01 -1.26 -5.00 120.40 119.62 2daf s VAL 97 Ca 0.56 1.41 0.05 0.00 0.00 0.00 0.00 61.98 63.99 2daf s VAL 97 Cb -0.36 -4.00 0.10 0.00 0.00 0.00 0.00 36.38 32.12 2daf s VAL 97 CO 0.39 -0.23 0.88 0.00 0.00 0.00 0.00 175.10 176.14 2daf s ARG 98 N 3.75 2.03 0.57 2.72 1.70 -1.26 -4.61 118.95 123.86 2daf s ARG 98 Ca 0.57 -1.38 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 2daf s ARG 98 Cb -0.21 -2.50 0.06 0.00 -0.57 0.00 0.00 34.95 31.72 2daf s ARG 98 CO 0.18 -1.11 0.79 -0.98 -1.08 0.00 0.00 175.30 173.10 2daf s ARG 99 N -4.88 2.37 -0.02 3.89 3.03 -1.26 -4.92 118.95 117.17 2daf s ARG 99 Ca 0.64 -1.02 -0.02 0.00 2.03 0.00 0.00 55.73 57.36 2daf s ARG 99 Cb -0.06 -2.51 0.00 0.00 -1.03 0.00 0.00 34.95 31.35 2daf s ARG 99 CO 0.41 -0.82 0.05 0.42 -1.13 0.00 0.00 175.30 174.23 2daf s ILE 100 N -2.77 0.02 1.35 4.99 1.01 -1.26 -5.01 121.20 119.52 2daf s ILE 100 Ca 0.59 -0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.89 2daf s ILE 100 Cb -0.09 -0.13 0.34 0.00 0.01 0.00 0.00 42.46 42.59 2daf s ILE 100 CO 0.39 -0.08 0.99 1.51 0.00 0.00 0.00 174.94 177.75 2daf s ASP 101 N -0.22 -0.37 0.00 3.58 1.47 -1.26 -5.03 116.67 114.84 2daf s ASP 101 Ca -0.03 0.80 0.00 0.00 1.18 0.00 0.00 52.55 54.50 2daf s ASP 101 Cb -0.02 -1.12 0.00 0.00 -0.34 0.00 0.00 42.92 41.44 2daf s ASP 101 CO 0.00 -4.94 0.00 0.61 0.68 0.00 0.00 175.17 171.52 2daf n GLY 102 N 0.59 2.64 3.43 2.12 0.00 -1.26 -5.05 105.19 107.66 2daf n GLY 102 Ca 0.13 -1.72 -0.44 0.00 0.00 0.00 0.00 46.02 43.99 2daf n GLY 102 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2daf s LEU 103 N 0.00 5.13 0.36 0.99 2.34 -1.26 -5.04 118.68 121.19 2daf s LEU 103 Ca 0.00 -1.02 0.07 0.00 0.06 0.00 0.00 54.13 53.24 2daf s LEU 103 Cb 0.00 -2.38 -0.07 0.00 -0.56 0.00 0.00 46.19 43.18 2daf s LEU 103 CO 0.00 -0.84 -0.01 0.42 -1.06 0.00 0.00 176.35 174.86 2daf s THR 104 N 2.40 1.83 -1.33 5.48 -4.23 -1.26 -4.77 115.64 113.76 2daf s THR 104 Ca 0.12 -2.06 -0.08 0.00 -1.18 0.00 0.00 61.69 58.50 2daf s THR 104 Cb -0.20 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 70.84 2daf s THR 104 CO 0.11 -0.08 1.03 0.47 -0.54 0.00 0.00 174.62 175.61 2daf n ASP 105 N -0.82 -6.15 -4.66 3.99 9.92 -1.26 -4.89 116.55 112.69 2daf n ASP 105 Ca -0.04 -0.47 -0.42 0.00 -0.53 0.00 0.00 54.79 53.32 2daf n ASP 105 Cb 0.66 -4.81 -0.03 0.00 -0.64 0.00 0.00 41.12 36.30 2daf n ASP 105 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2daf s VAL 106 N -3.28 3.08 0.04 2.53 1.01 -1.26 -4.98 120.40 117.54 2daf s VAL 106 Ca 0.51 0.10 0.04 0.00 0.00 0.00 0.00 61.98 62.63 2daf s VAL 106 Cb -0.23 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2daf s VAL 106 CO 0.63 -0.01 -0.13 -0.94 0.00 0.00 0.00 175.10 174.65 2daf s SER 107 N 4.60 1.53 -0.55 3.32 1.04 -1.26 -5.05 113.70 117.33 2daf s SER 107 Ca 0.88 -0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.86 2daf s SER 107 Cb -0.41 -0.08 0.44 0.00 0.10 0.00 0.00 66.02 66.07 2daf s SER 107 CO 0.40 -0.00 1.70 0.00 0.98 0.00 0.00 173.24 176.32 2daf n GLN 108 N 1.84 3.05 0.07 4.02 6.02 -1.26 -4.63 117.38 126.49 2daf n GLN 108 Ca -0.19 -3.69 -0.12 0.00 -0.01 0.00 0.00 57.00 53.00 2daf n GLN 108 Cb 0.55 -2.28 -0.04 0.00 1.02 0.00 0.00 30.24 29.49 2daf n GLN 108 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 2daf h ILE 109 N 1.61 1.43 -3.16 5.09 2.10 -2.00 -3.44 117.51 119.14 2daf h ILE 109 Ca 0.51 -2.53 -0.55 0.00 1.08 0.00 0.00 64.86 63.37 2daf h ILE 109 Cb 0.96 2.46 0.20 0.00 -1.09 0.00 0.00 36.82 39.35 2daf h ILE 109 CO 1.26 0.75 -0.62 0.00 -1.08 0.00 0.00 178.15 178.46 2daf n ILE 110 N -3.71 0.81 -1.51 2.19 3.06 -1.26 -4.61 119.36 114.33 2daf n ILE 110 Ca -0.06 -0.32 -0.39 0.00 -2.50 0.00 0.00 62.75 59.48 2daf n ILE 110 Cb 0.84 -0.60 -0.12 0.00 0.54 0.00 0.00 39.64 40.29 2daf n ILE 110 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2daf n THR 111 N -2.90 -0.03 -4.13 9.51 -1.04 -1.26 -4.88 114.28 109.56 2daf n THR 111 Ca 0.07 -0.24 -0.15 0.00 -2.04 0.00 0.00 64.05 61.70 2daf n THR 111 Cb 0.52 -1.15 -0.13 0.00 -1.82 0.00 0.00 70.33 67.75 2daf n THR 111 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2daf s VAL 112 N 9.83 0.49 -0.18 12.58 1.01 -1.26 -5.09 120.40 137.78 2daf s VAL 112 Ca 1.25 -0.58 -0.33 0.00 0.00 0.00 0.00 61.98 62.32 2daf s VAL 112 Cb -0.94 -0.48 -0.15 0.00 0.00 0.00 0.00 36.38 34.81 2daf s VAL 112 CO 0.42 -0.08 1.00 -0.24 0.00 0.00 0.00 175.10 176.21 2daf n SER 113 N 2.34 0.42 -4.96 3.32 2.88 -1.26 -4.92 113.62 111.44 2daf n SER 113 Ca -0.17 0.89 -0.19 0.00 -1.33 0.00 0.00 58.87 58.08 2daf n SER 113 Cb 0.57 -0.69 -0.01 0.00 -0.75 0.00 0.00 64.21 63.34 2daf n SER 113 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2daf s GLY 114 N 1.06 2.02 0.00 0.46 0.00 -1.26 -5.13 107.32 104.48 2daf s GLY 114 Ca 0.74 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2daf s GLY 114 CO 0.52 -1.58 0.00 -1.55 0.00 0.00 0.00 173.10 170.49 2daf n PRO 115 N -1.74 -0.59 -3.58 2.90 -0.04 -1.26 -5.11 135.00 125.58 2daf n PRO 115 Ca 0.06 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.46 2daf n PRO 115 Cb 0.60 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.03 2daf n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2daf s SER 116 N -1.51 -0.22 -0.25 3.54 1.04 -1.26 -5.18 113.70 109.86 2daf s SER 116 Ca 0.00 0.08 -0.27 0.00 0.48 0.00 0.00 55.95 56.24 2daf s SER 116 Cb 0.00 0.21 0.14 0.00 0.10 0.00 0.00 66.02 66.47 2daf s SER 116 CO 0.00 -0.32 1.10 -0.94 0.98 0.00 0.00 173.24 174.07 2daf s SER 117 N -1.93 -0.34 0.00 7.02 1.04 -1.26 -5.38 113.70 112.85 2daf s SER 117 Ca 0.06 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2daf s SER 117 Cb -0.01 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2daf s SER 117 CO -0.05 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.60