#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waa s ILE 2 N 0.00 3.94 0.28 1.47 1.01 -1.26 -5.02 121.20 121.62 1waa s ILE 2 Ca 0.00 1.47 0.10 0.00 0.00 0.00 0.00 60.65 62.22 1waa s ILE 2 Cb 0.00 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 1waa s ILE 2 CO 0.00 0.16 -0.03 -1.61 0.00 0.00 0.00 174.94 173.46 1waa s GLU 3 N 0.58 2.16 -0.16 2.79 2.02 -1.26 -4.03 118.70 120.80 1waa s GLU 3 Ca 0.56 -1.53 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 1waa s GLU 3 Cb -0.30 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 31.84 1waa s GLU 3 CO 0.31 0.32 0.63 0.08 0.02 0.00 0.00 175.26 176.62 1waa s VAL 4 N -2.39 5.04 -0.18 2.63 1.01 -1.26 -0.56 120.40 124.69 1waa s VAL 4 Ca 0.32 1.22 -0.13 0.00 0.00 0.00 0.00 61.98 63.39 1waa s VAL 4 Cb -0.05 -3.95 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 1waa s VAL 4 CO 0.19 0.16 0.20 -0.62 0.00 0.00 0.00 175.10 175.03 1waa n GLU 5 N 4.66 0.66 -3.87 2.72 -0.58 0.97 -4.84 120.64 120.36 1waa n GLU 5 Ca -0.02 0.39 -0.30 0.00 -0.42 0.00 0.00 57.16 56.82 1waa n GLU 5 Cb 0.50 -1.70 -0.16 0.00 -0.57 0.00 0.00 31.44 29.52 1waa n GLU 5 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1waa s LYS 6 N -2.47 1.30 0.84 3.49 1.02 -0.94 -4.98 119.74 118.00 1waa s LYS 6 Ca -0.27 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 54.76 1waa s LYS 6 Cb 0.07 -2.44 0.10 0.00 -0.52 0.00 0.00 37.83 35.04 1waa s LYS 6 CO 0.66 -0.64 1.09 -1.25 -0.92 0.00 0.00 175.35 174.30 1waa s PRO 7 N 1.53 1.71 0.39 -1.68 0.04 -1.26 -1.43 135.00 134.30 1waa s PRO 7 Ca -0.03 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 61.70 1waa s PRO 7 Cb -0.18 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 1waa s PRO 7 CO -0.08 -1.96 1.21 1.28 0.04 0.00 0.00 177.00 177.49 1waa n LEU 8 N -3.71 3.47 -4.37 -3.56 4.32 -1.26 -4.75 117.00 107.14 1waa n LEU 8 Ca 0.08 1.13 -0.28 0.00 -0.02 0.00 0.00 56.01 56.91 1waa n LEU 8 Cb 0.54 -1.45 -0.13 0.00 -1.62 0.00 0.00 43.42 40.76 1waa n LEU 8 CO 0.55 -0.81 -0.56 -0.72 -1.22 0.00 0.00 177.39 174.62 1waa s TYR 9 N -1.17 2.22 0.61 -1.77 1.13 -1.26 -4.74 117.35 112.37 1waa s TYR 9 Ca 0.60 -0.39 -0.18 0.00 -1.41 0.00 0.00 57.07 55.69 1waa s TYR 9 Cb -0.55 -1.21 -0.03 0.00 -1.10 0.00 0.00 41.96 39.08 1waa s TYR 9 CO 0.59 0.31 1.22 0.20 -2.51 0.00 0.00 175.55 175.36 1waa s GLY 10 N -2.00 2.73 -0.00 5.49 0.00 -1.26 -4.74 107.32 107.54 1waa s GLY 10 Ca 0.13 1.04 0.01 0.00 0.00 0.00 0.00 44.72 45.90 1waa s GLY 10 CO 0.06 1.44 -0.04 -1.34 0.00 0.00 0.00 173.10 173.21 1waa s VAL 11 N -1.59 0.30 -0.13 1.40 -7.23 0.35 -4.94 120.40 108.55 1waa s VAL 11 Ca 0.78 -0.18 -0.03 0.00 -1.81 0.00 0.00 61.98 60.74 1waa s VAL 11 Cb -0.32 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.34 1waa s VAL 11 CO 0.35 0.07 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.58 1waa s GLU 12 N -0.12 3.46 0.03 4.82 2.02 -1.26 -0.24 118.70 127.41 1waa s GLU 12 Ca 0.01 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 1waa s GLU 12 Cb -0.02 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 31.30 1waa s GLU 12 CO -0.00 0.39 -0.02 0.14 0.02 0.00 0.00 175.26 175.79 1waa s VAL 13 N -0.03 0.14 0.43 2.63 -7.23 0.57 -4.96 120.40 111.94 1waa s VAL 13 Ca 0.02 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 58.89 1waa s VAL 13 Cb -0.13 -0.68 -0.06 0.00 0.56 0.00 0.00 36.38 36.06 1waa s VAL 13 CO 0.02 -0.66 0.80 -0.36 -0.31 0.00 0.00 175.10 174.60 1waa s PHE 14 N -2.27 3.48 0.23 2.82 0.40 -1.26 -0.36 117.98 121.02 1waa s PHE 14 Ca -0.08 1.07 -0.32 0.00 -0.60 0.00 0.00 56.93 57.00 1waa s PHE 14 Cb -0.04 -2.47 -0.12 0.00 0.51 0.00 0.00 43.02 40.90 1waa s PHE 14 CO -0.04 -0.16 1.61 0.28 0.70 0.00 0.00 175.22 177.61 1waa n VAL 15 N -1.44 0.42 0.00 -0.44 0.31 -0.43 -1.59 118.33 115.17 1waa n VAL 15 Ca 0.03 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1waa n VAL 15 Cb 0.54 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1waa n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1waa n GLY 16 N 3.08 2.38 3.98 2.92 0.00 0.13 -4.94 105.19 112.75 1waa n GLY 16 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1waa n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1waa s GLU 17 N -0.76 1.76 0.02 1.61 2.02 -0.62 -4.04 118.70 118.69 1waa s GLU 17 Ca 0.00 -0.98 0.03 0.00 0.02 0.00 0.00 54.97 54.04 1waa s GLU 17 Cb 0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 1waa s GLU 17 CO 0.00 -1.40 -0.03 -0.08 0.02 0.00 0.00 175.26 173.77 1waa s THR 18 N -3.14 3.92 0.04 3.63 -1.32 -1.26 -1.21 115.64 116.30 1waa s THR 18 Ca 0.65 -0.74 0.08 0.00 -1.21 0.00 0.00 61.69 60.46 1waa s THR 18 Cb -0.06 -2.75 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1waa s THR 18 CO 0.44 0.34 -0.20 0.00 -2.21 0.00 0.00 174.62 172.98 1waa s ALA 19 N -1.09 2.50 -0.03 11.08 0.00 -0.51 -4.98 121.76 128.73 1waa s ALA 19 Ca 0.20 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.96 1waa s ALA 19 Cb -0.11 -0.67 0.01 0.00 0.00 0.00 0.00 23.12 22.35 1waa s ALA 19 CO 0.11 0.56 -0.06 -3.38 0.00 0.00 0.00 175.76 172.99 1waa s HIS 20 N -0.89 0.70 0.14 0.00 -3.43 -1.26 -0.27 115.29 110.26 1waa s HIS 20 Ca 0.14 -0.17 0.09 0.00 -0.80 0.00 0.00 55.06 54.33 1waa s HIS 20 Cb -0.10 -0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 30.46 1waa s HIS 20 CO 0.04 -0.11 -0.18 -0.06 -2.00 0.00 0.00 174.74 172.44 1waa s PHE 21 N 0.44 2.52 -0.09 0.38 0.08 0.07 -4.95 117.98 116.43 1waa s PHE 21 Ca -0.06 -0.27 -0.16 0.00 0.12 0.00 0.00 56.93 56.56 1waa s PHE 21 Cb -0.10 -1.31 0.04 0.00 -0.57 0.00 0.00 43.02 41.08 1waa s PHE 21 CO 0.00 0.42 0.40 -1.83 -0.10 0.00 0.00 175.22 174.11 1waa s GLU 22 N -2.31 0.62 -0.01 0.44 -1.05 -1.26 -1.36 118.70 113.76 1waa s GLU 22 Ca 0.19 0.23 -0.02 0.00 -0.15 0.00 0.00 54.97 55.22 1waa s GLU 22 Cb -0.10 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1waa s GLU 22 CO 0.11 -0.14 0.05 -1.50 0.95 0.00 0.00 175.26 174.73 1waa s ILE 23 N -0.56 0.02 -0.16 1.83 2.07 -0.55 -3.98 121.20 119.87 1waa s ILE 23 Ca -0.07 -0.19 -0.01 0.00 -1.41 0.00 0.00 60.65 58.97 1waa s ILE 23 Cb -0.04 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 1waa s ILE 23 CO 0.03 -0.10 -0.11 -0.70 -1.91 0.00 0.00 174.94 172.14 1waa s GLU 24 N -0.30 3.32 0.53 3.50 2.12 -0.51 -0.90 118.70 126.46 1waa s GLU 24 Ca -0.04 -0.69 0.04 0.00 0.36 0.00 0.00 54.97 54.64 1waa s GLU 24 Cb -0.02 -2.74 0.04 0.00 0.26 0.00 0.00 34.13 31.67 1waa s GLU 24 CO 0.00 0.03 0.74 -0.51 -0.54 0.00 0.00 175.26 174.97 1waa s LEU 25 N 0.84 3.34 0.21 2.70 1.43 0.37 -0.02 118.68 127.55 1waa s LEU 25 Ca -0.04 -0.25 0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1waa s LEU 25 Cb -0.15 -2.60 0.87 0.00 0.03 0.00 0.00 46.19 44.34 1waa s LEU 25 CO 0.00 -1.12 1.77 -1.54 0.23 0.00 0.00 176.35 175.69 1waa n SER 26 N -2.24 0.74 -3.97 2.29 3.41 0.27 -4.57 113.62 109.55 1waa n SER 26 Ca 0.09 0.59 -0.13 0.00 -0.26 0.00 0.00 58.87 59.17 1waa n SER 26 Cb 0.60 -0.78 -0.13 0.00 -0.26 0.00 0.00 64.21 63.64 1waa n SER 26 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1waa s GLU 27 N -3.14 0.34 0.61 4.33 0.41 -1.26 -4.97 118.70 115.01 1waa s GLU 27 Ca 0.09 -0.41 -0.08 0.00 -0.41 0.00 0.00 54.97 54.16 1waa s GLU 27 Cb 0.12 -0.17 -0.00 0.00 -1.78 0.00 0.00 34.13 32.30 1waa s GLU 27 CO 0.54 0.03 0.95 -1.25 -0.49 0.00 0.00 175.26 175.05 1waa s PRO 28 N -0.83 3.10 -1.15 0.39 0.04 -1.26 -4.41 135.00 130.87 1waa s PRO 28 Ca -0.06 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.23 1waa s PRO 28 Cb -0.06 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1waa s PRO 28 CO -0.00 -0.69 0.10 -0.25 0.04 0.00 0.00 177.00 176.19 1waa n ASP 29 N -2.67 -4.36 -4.77 6.66 10.43 -1.04 -4.91 116.55 115.90 1waa n ASP 29 Ca 0.05 -0.06 -0.36 0.00 2.57 0.00 0.00 54.79 56.99 1waa n ASP 29 Cb 0.57 -3.46 -0.07 0.00 1.84 0.00 0.00 41.12 40.00 1waa n ASP 29 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1waa s VAL 30 N -2.76 5.39 0.02 2.53 1.01 -1.26 -5.04 120.40 120.30 1waa s VAL 30 Ca 0.05 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1waa s VAL 30 Cb -0.02 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 1waa s VAL 30 CO 0.06 0.47 1.46 -2.28 0.00 0.00 0.00 175.10 174.81 1waa s HIS 31 N 0.03 2.78 0.11 5.22 2.46 -1.26 -5.00 115.29 119.63 1waa s HIS 31 Ca 0.12 0.71 0.07 0.00 0.47 0.00 0.00 55.06 56.43 1waa s HIS 31 Cb -0.12 -3.74 -0.04 0.00 -0.13 0.00 0.00 32.58 28.55 1waa s HIS 31 CO 0.01 -2.78 -0.08 0.20 -2.47 0.00 0.00 174.74 169.62 1waa s GLY 32 N 1.95 1.80 -0.00 1.59 0.00 -1.26 -4.00 107.32 107.40 1waa s GLY 32 Ca 0.66 -1.25 0.04 0.00 0.00 0.00 0.00 44.72 44.16 1waa s GLY 32 CO 0.28 -1.24 -0.11 1.20 0.00 0.00 0.00 173.10 173.23 1waa s GLN 33 N -2.32 0.88 0.10 2.90 -0.21 0.47 -5.00 119.66 116.49 1waa s GLN 33 Ca 0.23 -0.45 0.08 0.00 0.02 0.00 0.00 55.36 55.24 1waa s GLN 33 Cb -0.11 -0.86 -0.04 0.00 1.00 0.00 0.00 33.01 33.01 1waa s GLN 33 CO 0.15 0.23 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.79 1waa s TRP 34 N -0.36 2.55 0.08 0.91 0.52 -1.26 -1.33 118.94 120.06 1waa s TRP 34 Ca 0.04 -0.25 0.04 0.00 0.02 0.00 0.00 56.10 55.94 1waa s TRP 34 Cb -0.05 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.86 1waa s TRP 34 CO -0.00 0.36 -0.11 0.15 0.02 0.00 0.00 176.95 177.37 1waa s LYS 35 N -2.00 0.79 -0.10 4.98 1.02 0.91 -2.08 119.74 123.27 1waa s LYS 35 Ca 0.17 -1.04 0.02 0.00 0.02 0.00 0.00 55.97 55.14 1waa s LYS 35 Cb -0.11 -0.58 0.01 0.00 -0.52 0.00 0.00 37.83 36.64 1waa s LYS 35 CO 0.09 0.10 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.31 1waa s LEU 36 N -2.12 1.72 -1.17 3.17 0.20 -0.82 -0.65 118.68 119.01 1waa s LEU 36 Ca 0.01 -0.41 -0.07 0.00 0.69 0.00 0.00 54.13 54.35 1waa s LEU 36 Cb -0.06 -1.05 0.06 0.00 -0.43 0.00 0.00 46.19 44.71 1waa s LEU 36 CO 0.01 0.03 0.37 0.29 -0.29 0.00 0.00 176.35 176.75 1waa n LYS 37 N 4.09 -3.08 -0.83 1.98 5.02 0.45 -0.94 118.16 124.85 1waa n LYS 37 Ca -0.20 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1waa n LYS 37 Cb 0.51 -5.12 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 1waa n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1waa n GLY 38 N -1.06 0.86 3.64 0.72 0.00 -1.26 -5.01 105.19 103.08 1waa n GLY 38 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1waa n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1waa s GLN 39 N -0.17 4.02 0.42 1.61 -1.52 -0.11 -5.03 119.66 118.88 1waa s GLN 39 Ca 0.00 -0.31 -0.26 0.00 -1.95 0.00 0.00 55.36 52.84 1waa s GLN 39 Cb 0.00 -3.39 -0.09 0.00 -0.22 0.00 0.00 33.01 29.30 1waa s GLN 39 CO 0.00 0.14 1.47 -2.14 -0.25 0.00 0.00 175.29 174.51 1waa s PRO 40 N 0.79 3.84 -0.22 2.91 0.02 -1.26 -1.95 135.00 139.12 1waa s PRO 40 Ca 0.06 2.51 -0.10 0.00 0.02 0.00 0.00 61.00 63.49 1waa s PRO 40 Cb -0.13 -2.78 -0.05 0.00 0.02 0.00 0.00 34.50 31.56 1waa s PRO 40 CO 0.02 -0.73 0.13 -0.51 -0.33 0.00 0.00 177.00 175.58 1waa s LEU 41 N -2.49 4.07 0.05 -5.54 1.43 -0.88 -4.89 118.68 110.44 1waa s LEU 41 Ca 0.58 0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 1waa s LEU 41 Cb -0.45 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.64 1waa s LEU 41 CO 0.60 0.12 0.40 0.00 0.23 0.00 0.00 176.35 177.70 1waa s ALA 42 N 0.72 3.72 0.31 4.21 0.00 -1.26 -4.81 121.76 124.65 1waa s ALA 42 Ca 0.07 -0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1waa s ALA 42 Cb -0.12 -2.30 -0.11 0.00 0.00 0.00 0.00 23.12 20.59 1waa s ALA 42 CO 0.01 0.54 1.50 0.00 0.00 0.00 0.00 175.76 177.82 1waa s ALA 43 N -1.30 3.65 0.29 0.00 0.00 -1.26 -4.83 121.76 118.31 1waa s ALA 43 Ca 0.30 1.49 -0.14 0.00 0.00 0.00 0.00 51.96 53.61 1waa s ALA 43 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.39 1waa s ALA 43 CO 0.16 -0.92 0.60 -1.54 0.00 0.00 0.00 175.76 174.06 1waa s SER 44 N 0.19 0.00 0.41 0.00 1.04 0.26 -4.97 113.70 110.62 1waa s SER 44 Ca 0.58 -0.94 0.17 0.00 0.48 0.00 0.00 55.95 56.24 1waa s SER 44 Cb -0.45 0.69 1.07 0.00 0.10 0.00 0.00 66.02 67.42 1waa s SER 44 CO 0.52 -1.32 1.83 -0.65 0.98 0.00 0.00 173.24 174.59 1waa h PRO 45 N 2.12 0.42 -0.01 4.02 0.11 -2.00 -1.86 132.00 134.79 1waa h PRO 45 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1waa h PRO 45 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1waa h PRO 45 CO 0.33 0.28 -0.29 -0.25 -0.21 0.00 0.00 178.00 177.85 1waa n ASP 46 N -4.55 1.60 -3.60 -2.05 8.00 -1.26 -4.72 116.55 109.97 1waa n ASP 46 Ca 0.21 -1.27 -0.29 0.00 0.71 0.00 0.00 54.79 54.15 1waa n ASP 46 Cb 0.74 0.24 -0.14 0.00 -0.02 0.00 0.00 41.12 41.94 1waa n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1waa s GLU 48 N 1.40 3.61 -0.25 0.00 2.02 0.10 -0.57 118.70 125.02 1waa s GLU 48 Ca 0.13 -0.53 -0.01 0.00 0.02 0.00 0.00 54.97 54.58 1waa s GLU 48 Cb -0.20 -3.02 0.03 0.00 0.10 0.00 0.00 34.13 31.05 1waa s GLU 48 CO -0.17 0.07 -0.08 0.42 0.02 0.00 0.00 175.26 175.52 1waa s ILE 49 N 0.83 2.72 -0.06 -1.63 1.01 -1.26 -0.83 121.20 121.98 1waa s ILE 49 Ca -0.00 -1.10 0.06 0.00 0.00 0.00 0.00 60.65 59.60 1waa s ILE 49 Cb -0.14 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.92 1waa s ILE 49 CO 0.02 0.19 -0.24 -0.63 0.00 0.00 0.00 174.94 174.28 1waa s ILE 50 N 1.29 2.19 -0.04 2.92 -1.09 0.46 -5.00 121.20 121.94 1waa s ILE 50 Ca -0.01 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.43 1waa s ILE 50 Cb -0.17 -1.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.91 1waa s ILE 50 CO -0.05 0.57 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.46 1waa s GLU 51 N -0.21 1.59 -0.27 2.79 2.02 -1.26 -0.81 118.70 122.55 1waa s GLU 51 Ca -0.02 -0.55 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 1waa s GLU 51 Cb -0.13 -1.40 0.15 0.00 0.10 0.00 0.00 34.13 32.84 1waa s GLU 51 CO 0.03 0.23 0.40 0.34 0.02 0.00 0.00 175.26 176.28 1waa s ASP 52 N 0.04 0.21 1.95 -0.19 -1.08 -0.36 -5.03 116.67 112.20 1waa s ASP 52 Ca -0.03 0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1waa s ASP 52 Cb -0.11 1.17 0.00 0.00 -1.46 0.00 0.00 42.92 42.52 1waa s ASP 52 CO 0.02 -0.32 0.00 0.61 0.52 0.00 0.00 175.17 176.00 1waa n GLY 53 N 5.36 3.99 0.04 2.66 0.00 -1.26 -1.91 105.19 114.08 1waa n GLY 53 Ca -0.02 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.18 1waa n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1waa n LYS 54 N 14.00 0.10 -3.39 1.61 5.02 -1.26 -2.50 118.16 131.74 1waa n LYS 54 Ca 0.00 0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.99 1waa n LYS 54 Cb 0.00 -1.61 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 1waa n LYS 54 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1waa s LYS 55 N -3.04 4.26 -0.09 1.97 -0.14 -0.80 -0.48 119.74 121.42 1waa s LYS 55 Ca 0.12 0.37 0.04 0.00 -1.36 0.00 0.00 55.97 55.14 1waa s LYS 55 Cb 0.16 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.91 1waa s LYS 55 CO 0.58 0.25 -0.22 -1.01 -0.76 0.00 0.00 175.35 174.20 1waa s HIS 56 N 0.34 2.58 -0.01 3.18 3.76 -0.08 -1.23 115.29 123.83 1waa s HIS 56 Ca 0.24 -0.84 0.04 0.00 -0.15 0.00 0.00 55.06 54.35 1waa s HIS 56 Cb -0.15 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 1waa s HIS 56 CO 0.09 -0.29 -0.13 0.42 -0.85 0.00 0.00 174.74 173.98 1waa s ILE 57 N 0.14 1.02 -0.15 0.60 1.01 0.01 -1.49 121.20 122.34 1waa s ILE 57 Ca -0.12 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.02 1waa s ILE 57 Cb -0.16 -0.85 0.01 0.00 0.01 0.00 0.00 42.46 41.47 1waa s ILE 57 CO 0.06 0.29 -0.21 -0.22 0.00 0.00 0.00 174.94 174.87 1waa s LEU 58 N -0.22 2.05 -0.19 2.97 2.96 -0.47 -0.40 118.68 125.38 1waa s LEU 58 Ca 0.03 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.33 1waa s LEU 58 Cb -0.06 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.22 1waa s LEU 58 CO -0.00 0.05 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.36 1waa s ILE 59 N 0.96 3.16 -0.33 6.68 1.01 -0.01 -0.75 121.20 131.92 1waa s ILE 59 Ca -0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 1waa s ILE 59 Cb -0.15 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.97 1waa s ILE 59 CO -0.05 0.47 0.08 -0.76 0.00 0.00 0.00 174.94 174.68 1waa s LEU 60 N 1.09 4.25 0.31 2.97 1.43 0.62 -0.72 118.68 128.63 1waa s LEU 60 Ca 0.01 -1.23 -0.06 0.00 -1.03 0.00 0.00 54.13 51.82 1waa s LEU 60 Cb -0.15 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1waa s LEU 60 CO -0.02 -0.32 0.59 -1.00 0.23 0.00 0.00 176.35 175.83 1waa s HIS 61 N 1.34 3.48 -1.29 0.29 3.76 0.46 -1.43 115.29 121.90 1waa s HIS 61 Ca -0.02 0.69 -0.00 0.00 -0.15 0.00 0.00 55.06 55.58 1waa s HIS 61 Cb -0.20 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.34 1waa s HIS 61 CO 0.01 0.12 0.76 -1.71 -0.85 0.00 0.00 174.74 173.08 1waa n ASN 62 N -1.05 -1.42 -4.75 1.40 4.05 -1.12 -4.86 115.26 107.51 1waa n ASN 62 Ca -0.01 -0.78 -0.40 0.00 0.45 0.00 0.00 54.58 53.84 1waa n ASN 62 Cb 0.54 -4.26 0.02 0.00 1.23 0.00 0.00 39.78 37.32 1waa n ASN 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1waa s GLN 64 N -2.49 1.15 0.32 0.00 -1.52 -1.26 -0.69 119.66 115.16 1waa s GLN 64 Ca 0.63 -1.33 0.09 0.00 -1.95 0.00 0.00 55.36 52.80 1waa s GLN 64 Cb -0.45 -1.10 0.92 0.00 -0.22 0.00 0.00 33.01 32.16 1waa s GLN 64 CO 0.56 0.22 1.67 -0.07 -0.25 0.00 0.00 175.29 177.42 1waa h LEU 65 N 3.37 0.35 -0.15 2.90 3.38 -1.96 -1.27 115.31 121.94 1waa h LEU 65 Ca -0.41 0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1waa h LEU 65 Cb 1.20 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1waa h LEU 65 CO 0.51 -0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1waa n GLY 66 N -1.32 -0.94 0.02 0.83 0.00 -1.26 -2.29 105.19 100.23 1waa n GLY 66 Ca 0.27 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.41 1waa n GLY 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1waa n MET 67 N -1.63 0.08 -1.65 1.61 2.81 -0.48 -4.88 117.12 112.98 1waa n MET 67 Ca 0.02 0.04 -0.50 0.00 -1.81 0.00 0.00 57.70 55.45 1waa n MET 67 Cb 0.14 -1.57 -0.05 0.00 -0.71 0.00 0.00 33.22 31.03 1waa n MET 67 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1waa n THR 68 N -1.70 0.17 -3.84 2.03 -1.04 -0.97 -4.82 114.28 104.12 1waa n THR 68 Ca 0.06 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1waa n THR 68 Cb 0.37 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1waa n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1waa n GLY 69 N 3.48 -1.36 3.67 3.41 0.00 -0.47 -4.98 105.19 108.94 1waa n GLY 69 Ca 0.20 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1waa n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1waa s GLU 70 N -2.00 4.32 -0.15 1.61 2.12 -1.26 -0.77 118.70 122.57 1waa s GLU 70 Ca 0.00 1.09 -0.15 0.00 0.36 0.00 0.00 54.97 56.27 1waa s GLU 70 Cb 0.00 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1waa s GLU 70 CO 0.00 -0.33 0.34 0.08 -0.54 0.00 0.00 175.26 174.81 1waa s VAL 71 N 2.13 5.28 0.07 3.70 1.01 0.79 -0.41 120.40 132.96 1waa s VAL 71 Ca 0.40 0.65 0.02 0.00 0.00 0.00 0.00 61.98 63.05 1waa s VAL 71 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1waa s VAL 71 CO 0.13 0.37 -0.07 -0.94 0.00 0.00 0.00 175.10 174.59 1waa s SER 72 N 0.52 1.01 0.03 3.32 1.04 0.18 -0.87 113.70 118.92 1waa s SER 72 Ca 0.19 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.87 1waa s SER 72 Cb -0.13 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1waa s SER 72 CO 0.05 -0.33 -0.07 0.12 0.98 0.00 0.00 173.24 174.00 1waa s PHE 73 N -2.45 0.59 -0.08 5.02 2.19 0.10 -0.06 117.98 123.28 1waa s PHE 73 Ca 0.01 -0.36 -0.06 0.00 0.33 0.00 0.00 56.93 56.85 1waa s PHE 73 Cb -0.03 -0.36 0.03 0.00 -1.31 0.00 0.00 43.02 41.35 1waa s PHE 73 CO -0.02 -0.06 0.21 -1.14 1.83 0.00 0.00 175.22 176.04 1waa s GLN 74 N -1.07 0.21 -0.05 10.12 0.74 -0.44 -1.65 119.66 127.52 1waa s GLN 74 Ca -0.06 0.37 -0.02 0.00 0.05 0.00 0.00 55.36 55.70 1waa s GLN 74 Cb -0.07 0.00 0.04 0.00 1.10 0.00 0.00 33.01 34.08 1waa s GLN 74 CO 0.00 -0.09 0.09 0.00 -0.55 0.00 0.00 175.29 174.74 1waa s ALA 75 N 0.60 0.06 0.00 1.58 0.00 -0.71 -0.39 121.76 122.90 1waa s ALA 75 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1waa s ALA 75 Cb -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.48 1waa s ALA 75 CO -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 175.76 175.32 1waa n ALA 76 N 5.01 0.00 0.57 0.00 0.00 -1.26 -0.89 120.51 123.93 1waa n ALA 76 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1waa n ALA 76 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 1waa n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1waa n ASN 77 N 3.78 0.67 -4.74 0.00 0.23 -1.26 -4.94 115.26 109.00 1waa n ASN 77 Ca 0.00 0.04 -0.40 0.00 -0.53 0.00 0.00 54.58 53.69 1waa n ASN 77 Cb 0.00 0.32 -0.05 0.00 -2.08 0.00 0.00 39.78 37.98 1waa n ASN 77 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1waa s THR 78 N -3.18 4.63 0.04 5.53 -1.32 -0.07 -5.02 115.64 116.25 1waa s THR 78 Ca 0.06 1.77 0.05 0.00 -1.21 0.00 0.00 61.69 62.35 1waa s THR 78 Cb 0.14 -4.18 -0.02 0.00 -1.51 0.00 0.00 72.50 66.92 1waa s THR 78 CO 0.74 0.36 -0.14 -0.54 -2.21 0.00 0.00 174.62 172.84 1waa s LYS 79 N -0.13 0.88 -0.07 7.08 1.02 -1.26 -1.74 119.74 125.53 1waa s LYS 79 Ca 0.41 -0.77 -0.22 0.00 0.02 0.00 0.00 55.97 55.41 1waa s LYS 79 Cb -0.22 -0.87 0.05 0.00 -0.52 0.00 0.00 37.83 36.27 1waa s LYS 79 CO 0.25 0.21 0.49 0.45 -0.92 0.00 0.00 175.35 175.84 1waa s SER 80 N -1.23 -0.44 0.03 2.83 0.15 -0.66 -4.96 113.70 109.42 1waa s SER 80 Ca 0.00 0.54 -0.02 0.00 0.70 0.00 0.00 55.95 57.18 1waa s SER 80 Cb -0.08 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.78 1waa s SER 80 CO 0.01 -0.45 0.01 0.00 1.20 0.00 0.00 173.24 174.02 1waa s ALA 81 N -0.90 0.19 0.24 5.45 0.00 -1.26 -0.73 121.76 124.75 1waa s ALA 81 Ca -0.09 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.88 1waa s ALA 81 Cb -0.03 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1waa s ALA 81 CO 0.06 -0.28 0.65 0.00 0.00 0.00 0.00 175.76 176.19 1waa s ALA 82 N -2.60 -1.20 -0.09 0.00 0.00 -0.05 -4.74 121.76 113.09 1waa s ALA 82 Ca -0.05 -0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.62 1waa s ALA 82 Cb -0.01 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1waa s ALA 82 CO -0.05 -0.93 0.31 -0.80 0.00 0.00 0.00 175.76 174.29 1waa s ASN 83 N -2.88 6.58 -0.23 0.00 0.01 -1.26 -0.15 114.94 117.01 1waa s ASN 83 Ca 0.09 0.68 -0.14 0.00 -0.71 0.00 0.00 52.86 52.78 1waa s ASN 83 Cb -0.04 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1waa s ASN 83 CO 0.01 0.24 0.33 -0.22 -1.51 0.00 0.00 177.10 175.96 1waa s LEU 84 N -0.42 4.11 -0.22 0.60 0.20 0.05 -0.50 118.68 122.51 1waa s LEU 84 Ca 0.19 0.35 0.01 0.00 0.69 0.00 0.00 54.13 55.37 1waa s LEU 84 Cb -0.14 -2.38 0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1waa s LEU 84 CO 0.08 -0.07 -0.15 -0.75 -0.29 0.00 0.00 176.35 175.17 1waa s LYS 85 N 1.47 2.71 -0.17 1.98 2.20 0.66 -1.37 119.74 127.21 1waa s LYS 85 Ca 0.15 -1.03 -0.09 0.00 -0.36 0.00 0.00 55.97 54.64 1waa s LYS 85 Cb -0.15 -2.74 -0.05 0.00 -1.51 0.00 0.00 37.83 33.38 1waa s LYS 85 CO 0.08 -0.36 0.12 0.08 -0.36 0.00 0.00 175.35 174.91 1waa s VAL 86 N 1.23 5.34 0.06 4.02 1.01 -1.26 -0.32 120.40 130.49 1waa s VAL 86 Ca -0.01 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1waa s VAL 86 Cb -0.16 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1waa s VAL 86 CO -0.09 0.51 -0.08 -1.59 0.00 0.00 0.00 175.10 173.84 1waa s LYS 87 N -0.13 0.66 0.17 2.72 -2.85 0.52 -4.82 119.74 116.01 1waa s LYS 87 Ca 0.10 -0.95 -0.26 0.00 -1.00 0.00 0.00 55.97 53.86 1waa s LYS 87 Cb -0.11 -0.34 -0.08 0.00 -2.06 0.00 0.00 37.83 35.24 1waa s LYS 87 CO 0.00 0.05 0.80 -1.21 0.10 0.00 0.00 175.35 175.09 1waa s GLU 88 N -2.26 4.61 0.00 1.78 2.02 -1.26 -1.31 118.70 122.27 1waa s GLU 88 Ca -0.03 1.20 0.29 0.00 0.02 0.00 0.00 54.97 56.45 1waa s GLU 88 Cb -0.06 -3.27 1.71 0.00 0.10 0.00 0.00 34.13 32.61 1waa s GLU 88 CO -0.01 0.54 2.05 1.47 0.02 0.00 0.00 175.26 179.33