#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ajv s GLN 2 N 0.00 2.84 -0.23 0.54 0.74 -1.26 -5.09 119.66 117.21 1ajv s GLN 2 Ca 0.00 -0.96 -0.07 0.00 0.05 0.00 0.00 55.36 54.39 1ajv s GLN 2 Cb 0.00 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 31.23 1ajv s GLN 2 CO 0.00 -0.35 0.05 0.42 -0.55 0.00 0.00 175.29 174.86 1ajv s ILE 3 N 1.30 4.24 0.70 -2.34 1.01 -1.26 -5.10 121.20 119.75 1ajv s ILE 3 Ca 0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 1ajv s ILE 3 Cb -0.16 -2.96 0.05 0.00 0.01 0.00 0.00 42.46 39.41 1ajv s ILE 3 CO -0.07 0.38 1.02 0.42 0.00 0.00 0.00 174.94 176.69 1ajv s THR 4 N 1.27 2.46 -0.20 2.92 -4.23 -1.26 -5.02 115.64 111.58 1ajv s THR 4 Ca 0.04 -0.18 0.15 0.00 -1.18 0.00 0.00 61.69 60.53 1ajv s THR 4 Cb -0.15 -3.07 0.49 0.00 1.34 0.00 0.00 72.50 71.11 1ajv s THR 4 CO 0.03 -0.08 1.39 0.18 -0.54 0.00 0.00 174.62 175.60 1ajv n LEU 5 N -2.93 3.72 0.22 4.79 4.77 -1.26 -4.50 117.00 121.82 1ajv n LEU 5 Ca 0.08 -3.21 0.09 0.00 -0.03 0.00 0.00 56.01 52.94 1ajv n LEU 5 Cb 0.60 -0.55 0.50 0.00 -2.33 0.00 0.00 43.42 41.64 1ajv n LEU 5 CO 0.53 0.82 0.82 -0.50 -1.33 0.00 0.00 177.39 177.73 1ajv h TRP 6 N 1.35 0.00 -3.33 -1.77 4.06 -2.06 -3.43 115.95 110.78 1ajv h TRP 6 Ca 0.05 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.64 1ajv h TRP 6 Cb 1.43 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.45 1ajv h TRP 6 CO 0.55 0.24 -0.67 1.14 -3.56 0.00 0.00 178.44 176.14 1ajv s GLN 7 N -3.86 1.27 0.27 0.49 -2.07 -1.26 -5.10 119.66 109.40 1ajv s GLN 7 Ca -0.01 -1.62 -0.30 0.00 -1.82 0.00 0.00 55.36 51.60 1ajv s GLN 7 Cb 0.12 -0.62 -0.13 0.00 -1.09 0.00 0.00 33.01 31.29 1ajv s GLN 7 CO 0.64 -0.05 1.47 0.54 -1.32 0.00 0.00 175.29 176.57 1ajv n ARG 8 N -0.37 2.30 -1.56 9.60 1.74 -1.26 -4.85 116.66 122.27 1ajv n ARG 8 Ca -0.06 0.82 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 1ajv n ARG 8 Cb 0.63 -2.52 -0.01 0.00 -1.02 0.00 0.00 32.46 29.54 1ajv n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1ajv n PRO 9 N 1.94 2.65 -3.17 5.56 -0.04 -1.26 -4.93 135.00 135.75 1ajv n PRO 9 Ca 0.10 -2.39 -0.39 0.00 -0.04 0.00 0.00 63.50 60.78 1ajv n PRO 9 Cb 0.34 -3.16 -0.05 0.00 -0.04 0.00 0.00 33.50 30.59 1ajv n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ajv s LEU 10 N 1.77 4.36 0.22 1.53 1.43 -1.26 -0.70 118.68 126.04 1ajv s LEU 10 Ca 0.51 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 1ajv s LEU 10 Cb 0.14 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 1ajv s LEU 10 CO -0.05 0.02 -0.02 0.68 0.23 0.00 0.00 176.35 177.21 1ajv s VAL 11 N 0.25 1.10 -0.05 -1.59 -7.23 0.36 -4.94 120.40 108.30 1ajv s VAL 11 Ca 0.32 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 58.28 1ajv s VAL 11 Cb -0.18 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 1ajv s VAL 11 CO 0.16 -0.39 0.44 -0.89 -0.31 0.00 0.00 175.10 174.12 1ajv s THR 12 N -3.38 5.08 0.18 5.32 2.01 -1.26 -1.28 115.64 122.31 1ajv s THR 12 Ca 0.27 0.90 0.08 0.00 0.31 0.00 0.00 61.69 63.25 1ajv s THR 12 Cb 0.05 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1ajv s THR 12 CO 0.08 0.47 -0.17 0.27 -0.69 0.00 0.00 174.62 174.58 1ajv s ILE 13 N -0.34 1.80 -0.15 1.82 -4.36 0.34 -2.39 121.20 117.92 1ajv s ILE 13 Ca 0.25 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 1ajv s ILE 13 Cb -0.16 -1.90 0.02 0.00 1.25 0.00 0.00 42.46 41.66 1ajv s ILE 13 CO 0.12 -0.40 -0.17 -0.75 0.24 0.00 0.00 174.94 173.98 1ajv s LYS 14 N -3.06 2.56 -0.06 0.37 2.20 0.02 -1.22 119.74 120.55 1ajv s LYS 14 Ca 0.18 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 55.08 1ajv s LYS 14 Cb -0.04 -2.23 0.03 0.00 -1.51 0.00 0.00 37.83 34.07 1ajv s LYS 14 CO 0.07 -0.18 0.15 -1.50 -0.36 0.00 0.00 175.35 173.53 1ajv s ILE 15 N 1.28 -0.02 -1.46 5.43 2.07 -0.00 -1.32 121.20 127.17 1ajv s ILE 15 Ca 0.02 0.08 -0.06 0.00 -1.41 0.00 0.00 60.65 59.27 1ajv s ILE 15 Cb -0.13 -0.23 0.03 0.00 0.13 0.00 0.00 42.46 42.25 1ajv s ILE 15 CO -0.09 0.03 0.58 0.61 -1.91 0.00 0.00 174.94 174.16 1ajv n GLY 16 N 3.53 -0.51 2.83 1.50 0.00 -1.26 -1.25 105.19 110.02 1ajv n GLY 16 Ca -0.18 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ajv n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajv n GLY 17 N -1.41 0.38 3.63 -0.02 0.00 -1.26 -4.99 105.19 101.50 1ajv n GLY 17 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 1ajv n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ajv s GLN 18 N -0.73 2.23 -0.14 1.61 -0.21 -0.38 -5.10 119.66 116.94 1ajv s GLN 18 Ca 0.00 -1.43 -0.06 0.00 0.02 0.00 0.00 55.36 53.90 1ajv s GLN 18 Cb 0.00 -2.13 -0.04 0.00 1.00 0.00 0.00 33.01 31.84 1ajv s GLN 18 CO 0.00 0.37 0.06 -0.51 -2.12 0.00 0.00 175.29 173.09 1ajv s LEU 19 N -3.58 3.88 0.09 2.90 1.43 -1.26 -0.82 118.68 121.32 1ajv s LEU 19 Ca 0.31 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.58 1ajv s LEU 19 Cb -0.07 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1ajv s LEU 19 CO 0.19 0.29 0.04 -0.54 0.23 0.00 0.00 176.35 176.56 1ajv s LYS 20 N -0.35 0.78 -0.13 1.70 1.02 -0.36 -4.98 119.74 117.42 1ajv s LYS 20 Ca 0.09 -1.28 -0.06 0.00 0.02 0.00 0.00 55.97 54.74 1ajv s LYS 20 Cb -0.12 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.39 1ajv s LYS 20 CO 0.02 -0.20 0.07 -1.21 -0.92 0.00 0.00 175.35 173.11 1ajv s GLU 21 N -3.97 3.52 0.06 1.68 2.02 -1.26 -0.51 118.70 120.25 1ajv s GLU 21 Ca 0.14 -0.28 -0.00 0.00 0.02 0.00 0.00 54.97 54.85 1ajv s GLU 21 Cb 0.07 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.17 1ajv s GLU 21 CO -0.05 0.57 -0.04 0.00 0.02 0.00 0.00 175.26 175.76 1ajv s ALA 22 N -0.46 0.61 -0.18 5.21 0.00 -0.41 -4.40 121.76 122.13 1ajv s ALA 22 Ca 0.10 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 1ajv s ALA 22 Cb -0.12 0.22 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1ajv s ALA 22 CO 0.02 -0.30 0.16 -1.17 0.00 0.00 0.00 175.76 174.46 1ajv s LEU 23 N -2.79 4.25 -0.41 0.00 2.96 0.29 -0.49 118.68 122.49 1ajv s LEU 23 Ca 0.06 0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 54.00 1ajv s LEU 23 Cb 0.05 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1ajv s LEU 23 CO -0.07 0.22 1.13 -0.76 -1.32 0.00 0.00 176.35 175.54 1ajv s LEU 24 N 0.09 3.75 -0.28 -0.68 1.43 0.12 -0.65 118.68 122.45 1ajv s LEU 24 Ca 0.11 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1ajv s LEU 24 Cb -0.12 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.64 1ajv s LEU 24 CO 0.00 -1.12 0.01 -0.62 0.23 0.00 0.00 176.35 174.85 1ajv s ASP 25 N 2.24 4.17 0.21 2.29 -1.08 -0.43 -4.79 116.67 119.29 1ajv s ASP 25 Ca 0.48 -1.57 0.25 0.00 -0.52 0.00 0.00 52.55 51.19 1ajv s ASP 25 Cb -0.09 -1.25 0.90 0.00 -1.46 0.00 0.00 42.92 41.02 1ajv s ASP 25 CO 0.26 -0.32 1.74 0.35 0.52 0.00 0.00 175.17 177.72 1ajv n THR 26 N 4.58 0.68 0.78 1.71 -2.24 -1.26 -2.53 114.28 116.00 1ajv n THR 26 Ca -0.05 -0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1ajv n THR 26 Cb 0.43 -0.85 0.40 0.00 -2.10 0.00 0.00 70.33 68.21 1ajv n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ajv n GLY 27 N 0.70 -1.52 3.67 3.38 0.00 -1.26 -4.79 105.19 105.37 1ajv n GLY 27 Ca 0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1ajv n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajv s ALA 28 N -3.07 3.58 0.21 4.61 0.00 -1.05 -4.97 121.76 121.07 1ajv s ALA 28 Ca 0.11 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1ajv s ALA 28 Cb 0.15 -2.48 0.17 0.00 0.00 0.00 0.00 23.12 20.97 1ajv s ALA 28 CO 0.62 -0.20 1.61 -0.44 0.00 0.00 0.00 175.76 177.34 1ajv h ASP 29 N 7.32 0.76 -0.97 0.00 3.32 -1.87 0.62 116.42 125.59 1ajv h ASP 29 Ca -0.37 -0.30 -0.63 0.00 0.02 0.00 0.00 57.03 55.75 1ajv h ASP 29 Cb 1.16 -0.21 -0.11 0.00 0.22 0.00 0.00 39.33 40.40 1ajv h ASP 29 CO 0.70 1.00 -0.50 -1.81 -1.72 0.00 0.00 179.24 176.91 1ajv s ASP 30 N -6.79 4.22 -0.21 6.45 1.01 -1.26 -2.25 116.67 117.83 1ajv s ASP 30 Ca -0.09 -1.40 -0.07 0.00 0.71 0.00 0.00 52.55 51.71 1ajv s ASP 30 Cb 0.13 0.06 -0.03 0.00 1.01 0.00 0.00 42.92 44.09 1ajv s ASP 30 CO 0.84 -0.73 0.06 -0.89 0.21 0.00 0.00 175.17 174.65 1ajv s THR 31 N -2.76 4.44 -0.07 -1.27 2.01 -1.26 -3.10 115.64 113.63 1ajv s THR 31 Ca 0.25 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1ajv s THR 31 Cb 0.04 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.52 1ajv s THR 31 CO 0.14 0.40 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 1ajv s VAL 32 N 1.02 1.32 0.23 3.82 1.01 -0.52 -0.47 120.40 126.81 1ajv s VAL 32 Ca 0.04 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1ajv s VAL 32 Cb -0.14 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 1ajv s VAL 32 CO 0.03 0.40 -0.22 -0.76 0.00 0.00 0.00 175.10 174.55 1ajv s LEU 33 N 0.62 2.51 0.89 3.92 1.43 0.14 -0.43 118.68 127.75 1ajv s LEU 33 Ca -0.15 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 51.90 1ajv s LEU 33 Cb -0.16 -1.11 0.13 0.00 0.03 0.00 0.00 46.19 45.07 1ajv s LEU 33 CO 0.04 0.07 1.14 -1.61 0.23 0.00 0.00 176.35 176.23 1ajv s GLU 34 N -3.07 1.24 -0.14 1.70 2.02 -1.26 -1.77 118.70 117.42 1ajv s GLU 34 Ca 0.25 1.50 -0.41 0.00 0.02 0.00 0.00 54.97 56.32 1ajv s GLU 34 Cb -0.06 -1.76 -0.19 0.00 0.10 0.00 0.00 34.13 32.22 1ajv s GLU 34 CO 0.12 -2.46 1.36 -1.91 0.02 0.00 0.00 175.26 172.39 1ajv n GLU 35 N -4.09 0.45 -3.64 1.61 4.07 -1.25 -4.59 120.64 113.20 1ajv n GLU 35 Ca 0.11 0.16 -0.06 0.00 -0.06 0.00 0.00 57.16 57.32 1ajv n GLU 35 Cb 0.52 -1.73 -0.02 0.00 -0.06 0.00 0.00 31.44 30.16 1ajv n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ajv s MET 36 N 1.36 1.03 -0.21 5.31 0.23 -1.26 -5.04 119.30 120.71 1ajv s MET 36 Ca 0.94 -0.50 -0.14 0.00 -1.03 0.00 0.00 55.69 54.96 1ajv s MET 36 Cb -1.22 0.39 -0.04 0.00 -1.53 0.00 0.00 34.83 32.43 1ajv s MET 36 CO 0.62 -0.46 0.30 0.45 -2.03 0.00 0.00 175.02 173.89 1ajv s SER 37 N -2.75 6.33 0.22 -1.18 0.15 -1.26 -5.04 113.70 110.17 1ajv s SER 37 Ca 0.09 0.38 0.10 0.00 0.70 0.00 0.00 55.95 57.22 1ajv s SER 37 Cb -0.01 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.07 1ajv s SER 37 CO -0.03 -0.00 -0.20 -0.76 1.20 0.00 0.00 173.24 173.45 1ajv s LEU 38 N 1.09 2.50 0.73 3.45 1.43 -1.26 -5.00 118.68 121.62 1ajv s LEU 38 Ca 0.15 -0.94 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 1ajv s LEU 38 Cb -0.14 -1.00 0.03 0.00 0.03 0.00 0.00 46.19 45.11 1ajv s LEU 38 CO 0.06 0.02 1.08 -2.16 0.23 0.00 0.00 176.35 175.57 1ajv s PRO 39 N -3.10 2.66 1.41 1.29 0.04 -1.26 -4.96 135.00 131.07 1ajv s PRO 39 Ca 0.23 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1ajv s PRO 39 Cb -0.05 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1ajv s PRO 39 CO 0.10 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1ajv n GLY 40 N -2.23 -1.85 3.90 0.56 0.00 -1.26 -4.91 105.19 99.39 1ajv n GLY 40 Ca 0.07 -1.38 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 1ajv n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ajv s ARG 41 N 0.00 3.66 0.19 1.61 0.52 -1.26 -5.10 118.95 118.57 1ajv s ARG 41 Ca 0.00 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.43 1ajv s ARG 41 Cb 0.00 -2.54 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 1ajv s ARG 41 CO 0.00 0.09 -0.13 1.67 0.02 0.00 0.00 175.30 176.95 1ajv s TRP 42 N -2.25 1.58 0.25 -0.53 1.48 -1.26 -4.66 118.94 113.55 1ajv s TRP 42 Ca 0.46 -0.63 0.12 0.00 -1.06 0.00 0.00 56.10 54.99 1ajv s TRP 42 Cb -0.10 -0.76 -0.05 0.00 -1.16 0.00 0.00 33.47 31.40 1ajv s TRP 42 CO 0.32 0.27 -0.21 0.15 -4.06 0.00 0.00 176.95 173.43 1ajv s LYS 43 N -3.68 1.65 0.29 3.25 1.02 -0.55 -4.89 119.74 116.83 1ajv s LYS 43 Ca 0.21 -1.66 -0.17 0.00 0.02 0.00 0.00 55.97 54.37 1ajv s LYS 43 Cb 0.00 -1.82 -0.09 0.00 -0.52 0.00 0.00 37.83 35.41 1ajv s LYS 43 CO 0.05 0.36 0.74 -1.25 -0.92 0.00 0.00 175.35 174.33 1ajv s PRO 44 N -3.19 4.10 -0.06 -1.68 0.04 -1.26 0.32 135.00 133.26 1ajv s PRO 44 Ca 0.27 0.75 -0.14 0.00 0.04 0.00 0.00 61.00 61.92 1ajv s PRO 44 Cb -0.06 -2.59 0.03 0.00 0.04 0.00 0.00 34.50 31.92 1ajv s PRO 44 CO 0.13 0.24 0.34 0.21 0.04 0.00 0.00 177.00 177.96 1ajv s LYS 45 N -2.62 0.58 -0.16 4.56 2.20 -0.73 -4.82 119.74 118.75 1ajv s LYS 45 Ca 0.50 0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 56.19 1ajv s LYS 45 Cb -0.13 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.44 1ajv s LYS 45 CO 0.19 -0.13 -0.07 -1.64 -0.36 0.00 0.00 175.35 173.33 1ajv s MET 46 N -0.70 3.51 0.02 4.03 -1.94 -1.26 -0.30 119.30 122.66 1ajv s MET 46 Ca -0.08 -0.60 0.06 0.00 -1.71 0.00 0.00 55.69 53.36 1ajv s MET 46 Cb -0.04 -2.84 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1ajv s MET 46 CO 0.03 0.14 -0.17 0.96 -0.01 0.00 0.00 175.02 175.97 1ajv s ILE 47 N 0.59 1.33 0.03 2.53 -4.36 -0.64 -4.95 121.20 115.72 1ajv s ILE 47 Ca -0.05 -0.93 0.06 0.00 -0.26 0.00 0.00 60.65 59.48 1ajv s ILE 47 Cb -0.15 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 1ajv s ILE 47 CO 0.03 0.21 -0.16 -0.83 0.24 0.00 0.00 174.94 174.43 1ajv s GLY 48 N -0.84 1.59 0.00 6.27 0.00 -1.26 -0.89 107.32 112.20 1ajv s GLY 48 Ca 0.05 -1.14 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1ajv s GLY 48 CO 0.01 -1.02 0.00 0.61 0.00 0.00 0.00 173.10 172.70 1ajv n GLY 49 N 1.63 6.71 0.19 0.20 0.00 0.99 -4.97 105.19 109.95 1ajv n GLY 49 Ca -0.16 -2.05 0.04 0.00 0.00 0.00 0.00 46.02 43.85 1ajv n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ajv h ILE 50 N 0.08 1.17 -0.01 -0.61 2.10 -2.04 -3.03 117.51 115.17 1ajv h ILE 50 Ca 0.00 -1.20 0.00 0.00 1.08 0.00 0.00 64.86 64.74 1ajv h ILE 50 Cb 0.00 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1ajv h ILE 50 CO 0.00 0.34 -0.51 0.61 -1.08 0.00 0.00 178.15 177.50 1ajv n GLY 51 N -0.45 -0.20 0.00 8.18 0.00 -1.26 -5.07 105.19 106.39 1ajv n GLY 51 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ajv n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ajv n GLY 52 N 1.42 0.67 3.67 -0.02 0.00 -1.15 -5.11 105.19 104.68 1ajv n GLY 52 Ca 0.09 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1ajv n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ajv s PHE 53 N -2.84 2.92 0.10 1.61 0.40 -1.26 -0.01 117.98 118.90 1ajv s PHE 53 Ca 0.00 -0.08 0.05 0.00 -0.60 0.00 0.00 56.93 56.30 1ajv s PHE 53 Cb 0.00 -1.47 -0.03 0.00 0.51 0.00 0.00 43.02 42.02 1ajv s PHE 53 CO 0.00 0.49 -0.13 0.96 0.70 0.00 0.00 175.22 177.24 1ajv s ILE 54 N -1.45 1.13 -0.06 0.64 -4.36 -0.07 -4.96 121.20 112.08 1ajv s ILE 54 Ca 0.26 -1.56 -0.13 0.00 -0.26 0.00 0.00 60.65 58.96 1ajv s ILE 54 Cb -0.11 -1.32 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 1ajv s ILE 54 CO 0.18 -0.40 0.34 -0.54 0.24 0.00 0.00 174.94 174.76 1ajv s LYS 55 N -2.40 3.92 0.23 0.37 1.02 -1.26 -1.62 119.74 120.00 1ajv s LYS 55 Ca 0.04 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.30 1ajv s LYS 55 Cb -0.06 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1ajv s LYS 55 CO 0.02 0.59 0.08 0.14 -0.92 0.00 0.00 175.35 175.26 1ajv s VAL 56 N -0.68 0.55 -0.16 3.17 -7.23 0.60 -4.63 120.40 112.01 1ajv s VAL 56 Ca 0.21 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1ajv s VAL 56 Cb -0.15 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 1ajv s VAL 56 CO 0.10 -0.11 0.08 -0.13 -0.31 0.00 0.00 175.10 174.73 1ajv s ARG 57 N -4.02 3.81 -0.22 4.82 0.52 -0.17 -1.78 118.95 121.91 1ajv s ARG 57 Ca 0.35 -0.28 -0.09 0.00 -0.52 0.00 0.00 55.73 55.18 1ajv s ARG 57 Cb 0.07 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1ajv s ARG 57 CO 0.11 0.42 0.11 -1.14 0.02 0.00 0.00 175.30 174.83 1ajv s GLN 58 N -0.04 3.95 -0.09 3.54 0.74 0.15 -1.10 119.66 126.81 1ajv s GLN 58 Ca 0.07 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.18 1ajv s GLN 58 Cb -0.12 -3.39 -0.01 0.00 1.10 0.00 0.00 33.01 30.59 1ajv s GLN 58 CO 0.01 0.08 -0.18 0.71 -0.55 0.00 0.00 175.29 175.35 1ajv s TYR 59 N 0.95 2.66 0.18 1.67 1.51 0.31 -1.48 117.35 123.15 1ajv s TYR 59 Ca 0.06 -0.62 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 1ajv s TYR 59 Cb -0.14 -1.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.96 1ajv s TYR 59 CO 0.03 -0.16 0.25 -0.51 -1.11 0.00 0.00 175.55 174.05 1ajv s ASP 60 N -0.00 6.04 -1.40 2.29 1.01 -1.26 -0.71 116.67 122.64 1ajv s ASP 60 Ca -0.06 0.03 -0.07 0.00 0.71 0.00 0.00 52.55 53.17 1ajv s ASP 60 Cb -0.15 -1.73 0.04 0.00 1.01 0.00 0.00 42.92 42.09 1ajv s ASP 60 CO 0.05 0.02 0.90 0.00 0.21 0.00 0.00 175.17 176.35 1ajv n GLN 61 N -0.73 -5.71 -3.39 8.23 6.02 -1.14 -4.91 117.38 115.76 1ajv n GLN 61 Ca -0.08 0.66 -0.37 0.00 -0.01 0.00 0.00 57.00 57.20 1ajv n GLN 61 Cb 0.55 -5.45 -0.06 0.00 1.02 0.00 0.00 30.24 26.30 1ajv n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1ajv s ILE 62 N -3.45 5.23 0.03 5.09 -1.09 0.51 -4.70 121.20 122.81 1ajv s ILE 62 Ca 0.34 0.82 -0.28 0.00 -2.23 0.00 0.00 60.65 59.31 1ajv s ILE 62 Cb -0.17 -3.76 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 1ajv s ILE 62 CO 0.80 0.35 0.87 -0.22 -1.23 0.00 0.00 174.94 175.51 1ajv s LEU 63 N 0.57 4.42 -0.10 2.97 2.96 -1.26 -0.79 118.68 127.44 1ajv s LEU 63 Ca 0.23 1.56 -0.07 0.00 -0.22 0.00 0.00 54.13 55.63 1ajv s LEU 63 Cb -0.14 -3.40 0.03 0.00 0.50 0.00 0.00 46.19 43.18 1ajv s LEU 63 CO 0.08 -0.11 0.24 -0.51 -1.32 0.00 0.00 176.35 174.74 1ajv s ILE 64 N 0.42 -0.02 -0.22 6.68 2.07 -0.51 -4.56 121.20 125.07 1ajv s ILE 64 Ca 0.45 0.07 -0.07 0.00 -1.41 0.00 0.00 60.65 59.68 1ajv s ILE 64 Cb -0.21 -0.36 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 1ajv s ILE 64 CO 0.25 0.03 0.07 -0.70 -1.91 0.00 0.00 174.94 172.68 1ajv s GLU 65 N 0.64 3.82 -0.29 3.50 2.12 -0.43 -0.66 118.70 127.40 1ajv s GLU 65 Ca -0.04 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 1ajv s GLU 65 Cb -0.06 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.11 1ajv s GLU 65 CO -0.04 0.04 -0.02 0.42 -0.54 0.00 0.00 175.26 175.12 1ajv s ILE 66 N 1.01 2.83 -1.32 -3.70 1.01 0.20 -0.80 121.20 120.43 1ajv s ILE 66 Ca 0.04 -1.45 -0.05 0.00 0.00 0.00 0.00 60.65 59.19 1ajv s ILE 66 Cb -0.14 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 1ajv s ILE 66 CO 0.03 -0.10 0.55 0.00 0.00 0.00 0.00 174.94 175.42 1ajv n GLY 68 N -1.84 1.73 3.61 0.00 0.00 -1.26 -4.97 105.19 102.45 1ajv n GLY 68 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1ajv n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ajv s HIS 69 N -2.98 3.25 0.12 1.61 4.02 0.86 -5.07 115.29 117.11 1ajv s HIS 69 Ca 0.00 0.30 -0.26 0.00 1.02 0.00 0.00 55.06 56.13 1ajv s HIS 69 Cb 0.00 -2.47 -0.07 0.00 -1.02 0.00 0.00 32.58 29.02 1ajv s HIS 69 CO 0.00 -0.16 0.80 0.15 1.02 0.00 0.00 174.74 176.55 1ajv s LYS 70 N 1.80 4.57 0.06 1.40 1.02 -1.26 0.62 119.74 127.95 1ajv s LYS 70 Ca 0.12 1.17 0.01 0.00 0.02 0.00 0.00 55.97 57.28 1ajv s LYS 70 Cb -0.16 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1ajv s LYS 70 CO 0.10 0.42 -0.06 0.00 -0.92 0.00 0.00 175.35 174.89 1ajv s ALA 71 N -0.59 0.65 -0.19 5.17 0.00 0.17 -4.91 121.76 122.06 1ajv s ALA 71 Ca 0.38 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1ajv s ALA 71 Cb -0.22 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.11 1ajv s ALA 71 CO 0.26 -0.20 0.05 0.42 0.00 0.00 0.00 175.76 176.29 1ajv s ILE 72 N -2.81 0.33 0.00 0.00 1.01 -1.26 -1.43 121.20 117.04 1ajv s ILE 72 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1ajv s ILE 72 Cb -0.00 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.57 1ajv s ILE 72 CO -0.04 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.27 1ajv n GLY 73 N 5.12 2.31 3.72 6.18 0.00 0.03 -4.79 105.19 117.77 1ajv n GLY 73 Ca -0.08 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1ajv n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ajv s THR 74 N -2.92 4.19 -0.04 2.61 2.01 -1.26 -0.36 115.64 119.87 1ajv s THR 74 Ca 0.00 1.70 0.04 0.00 0.31 0.00 0.00 61.69 63.73 1ajv s THR 74 Cb 0.00 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.42 1ajv s THR 74 CO 0.00 0.20 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.30 1ajv s VAL 75 N 0.49 1.19 0.01 3.82 1.01 0.11 -4.54 120.40 122.49 1ajv s VAL 75 Ca 0.53 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1ajv s VAL 75 Cb -0.27 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 1ajv s VAL 75 CO 0.31 0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 174.99 1ajv s LEU 76 N 0.14 3.46 -0.07 3.92 1.43 0.38 -0.53 118.68 127.42 1ajv s LEU 76 Ca -0.04 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1ajv s LEU 76 Cb -0.11 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1ajv s LEU 76 CO 0.02 0.27 -0.15 -0.69 0.23 0.00 0.00 176.35 176.03 1ajv s VAL 77 N -1.10 1.30 -0.80 -1.59 1.01 -0.26 0.24 120.40 119.21 1ajv s VAL 77 Ca 0.20 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1ajv s VAL 77 Cb -0.11 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.10 1ajv s VAL 77 CO 0.11 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1ajv n GLY 78 N 3.68 -1.31 2.72 4.51 0.00 -0.73 -1.00 105.19 113.06 1ajv n GLY 78 Ca -0.22 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 1ajv n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ajv n PRO 79 N -0.06 1.80 -3.25 1.61 -0.04 -1.26 -3.80 135.00 130.00 1ajv n PRO 79 Ca 0.00 -1.42 -0.32 0.00 -0.04 0.00 0.00 63.50 61.72 1ajv n PRO 79 Cb 0.00 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 30.93 1ajv n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ajv s THR 80 N 3.79 4.78 0.37 0.52 -1.32 -1.26 -4.97 115.64 117.55 1ajv s THR 80 Ca 0.38 0.77 0.10 0.00 -1.21 0.00 0.00 61.69 61.73 1ajv s THR 80 Cb 0.10 -3.62 0.12 0.00 -1.51 0.00 0.00 72.50 67.59 1ajv s THR 80 CO -0.01 -0.13 1.86 -0.65 -2.21 0.00 0.00 174.62 173.48 1ajv h PRO 81 N 2.40 0.17 -3.60 7.08 0.11 -1.97 -3.46 132.00 132.74 1ajv h PRO 81 Ca -0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1ajv h PRO 81 Cb 1.17 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1ajv h PRO 81 CO 0.67 0.41 -0.18 0.14 -0.21 0.00 0.00 178.00 178.82 1ajv s VAL 82 N -4.50 0.08 0.04 3.15 -7.23 -1.26 -5.10 120.40 105.57 1ajv s VAL 82 Ca -0.05 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.85 1ajv s VAL 82 Cb 0.15 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1ajv s VAL 82 CO 0.74 -0.34 1.24 0.20 -0.31 0.00 0.00 175.10 176.62 1ajv s ASN 83 N -2.88 7.03 -0.13 4.85 0.01 -1.26 -4.73 114.94 117.83 1ajv s ASN 83 Ca 0.09 2.02 0.02 0.00 -0.71 0.00 0.00 52.86 54.28 1ajv s ASN 83 Cb 0.02 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1ajv s ASN 83 CO -0.07 -0.53 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.16 1ajv s ILE 84 N 1.38 1.93 -0.30 0.60 1.01 0.43 -0.55 121.20 125.69 1ajv s ILE 84 Ca 0.59 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 60.21 1ajv s ILE 84 Cb -0.30 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1ajv s ILE 84 CO 0.28 0.52 0.28 -0.63 0.00 0.00 0.00 174.94 175.39 1ajv s ILE 85 N 0.84 5.24 0.18 2.92 -1.09 0.17 -1.44 121.20 128.02 1ajv s ILE 85 Ca -0.07 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1ajv s ILE 85 Cb -0.15 -3.66 0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1ajv s ILE 85 CO -0.01 0.11 0.25 0.61 -1.23 0.00 0.00 174.94 174.67 1ajv n GLY 86 N 4.95 1.99 0.29 6.18 0.00 -1.18 -1.31 105.19 116.11 1ajv n GLY 86 Ca -0.11 -2.16 0.11 0.00 0.00 0.00 0.00 46.02 43.85 1ajv n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ajv h ARG 87 N 0.00 0.05 -0.68 1.61 3.08 -0.80 -0.59 114.38 117.05 1ajv h ARG 87 Ca -0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1ajv h ARG 87 Cb 0.39 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 1ajv h ARG 87 CO 0.12 0.03 0.44 -2.95 -1.07 0.00 0.00 179.97 176.55 1ajv h ASN 88 N 0.05 0.79 0.28 7.04 -1.07 -1.71 -1.80 115.58 119.15 1ajv h ASN 88 Ca 0.08 -0.02 -0.33 0.00 0.07 0.00 0.00 56.30 56.09 1ajv h ASN 88 Cb 0.25 -0.20 -0.05 0.00 -2.07 0.00 0.00 38.32 36.25 1ajv h ASN 88 CO -0.01 0.58 -1.97 0.18 0.07 0.00 0.00 177.43 176.28 1ajv n LEU 89 N -4.43 1.10 -0.10 6.14 4.77 -0.75 -3.86 117.00 119.87 1ajv n LEU 89 Ca 0.07 0.25 0.04 0.00 -0.03 0.00 0.00 56.01 56.33 1ajv n LEU 89 Cb 0.04 -0.03 0.36 0.00 -2.33 0.00 0.00 43.42 41.46 1ajv n LEU 89 CO 0.36 0.53 1.20 -0.07 -1.33 0.00 0.00 177.39 178.08 1ajv h LEU 90 N 0.01 0.63 -0.83 2.23 3.38 -1.01 -0.85 115.31 118.86 1ajv h LEU 90 Ca -0.39 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1ajv h LEU 90 Cb 2.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1ajv h LEU 90 CO 0.06 0.44 -0.48 0.71 0.09 0.00 0.00 178.44 179.26 1ajv h THR 91 N 0.73 1.34 -0.45 0.22 1.35 -1.48 -0.50 112.91 114.13 1ajv h THR 91 Ca 0.22 -1.69 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 1ajv h THR 91 Cb -0.01 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 1ajv h THR 91 CO -0.05 0.50 0.07 1.56 -0.25 0.00 0.00 175.52 177.35 1ajv h GLN 92 N 0.20 0.69 -0.43 4.72 4.20 -1.28 -2.12 115.11 121.09 1ajv h GLN 92 Ca 0.01 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1ajv h GLN 92 Cb 0.92 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.60 1ajv h GLN 92 CO 0.08 0.65 0.00 0.44 -0.67 0.00 0.00 178.83 179.33 1ajv n ILE 93 N -4.28 0.57 -2.25 2.54 -5.35 -0.88 -4.92 119.36 104.78 1ajv n ILE 93 Ca 0.03 -0.59 -0.12 0.00 -0.27 0.00 0.00 62.75 61.80 1ajv n ILE 93 Cb 0.23 0.32 -0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1ajv n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ajv n GLY 94 N 1.22 -0.13 3.73 3.28 0.00 -0.80 -4.99 105.19 107.50 1ajv n GLY 94 Ca 0.15 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 1ajv n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ajv s THR 96 N -0.05 1.01 -0.17 0.00 -4.23 -1.26 -4.67 115.64 106.27 1ajv s THR 96 Ca 0.48 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.89 1ajv s THR 96 Cb -0.25 -1.78 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 1ajv s THR 96 CO 0.31 -0.78 0.13 -0.76 -0.54 0.00 0.00 174.62 172.98 1ajv s LEU 97 N -3.11 4.28 0.00 4.79 1.43 -1.26 -5.09 118.68 119.71 1ajv s LEU 97 Ca 0.15 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1ajv s LEU 97 Cb 0.03 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1ajv s LEU 97 CO -0.01 0.26 -0.09 0.20 0.23 0.00 0.00 176.35 176.94 1ajv s ASN 98 N -0.15 1.02 0.00 2.29 0.01 -1.26 -5.29 114.94 111.57 1ajv s ASN 98 Ca 0.11 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 1ajv s ASN 98 Cb -0.11 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1ajv s ASN 98 CO 0.00 0.07 0.00 2.22 -1.51 0.00 0.00 177.10 177.88