#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1waa n ALA -2 N 0.00 -0.39 -2.56 4.61 0.00 -1.26 -5.13 120.51 115.78 1waa n ALA -2 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1waa n ALA -2 Cb 0.00 -0.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.89 1waa n ALA -2 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1waa s MET -1 N -2.97 2.55 0.41 0.00 -1.94 -1.26 -5.11 119.30 110.99 1waa s MET -1 Ca 0.00 -0.69 -0.25 0.00 -1.71 0.00 0.00 55.69 53.04 1waa s MET -1 Cb 0.00 -2.48 -0.08 0.00 2.01 0.00 0.00 34.83 34.28 1waa s MET -1 CO 0.00 0.62 1.16 0.00 -0.01 0.00 0.00 175.02 176.78 1waa s ALA 0 N -0.90 3.13 0.56 3.03 0.00 -1.26 -5.02 121.76 121.30 1waa s ALA 0 Ca 0.15 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 1waa s ALA 0 Cb -0.11 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1waa s ALA 0 CO 0.05 -0.51 1.11 -0.51 0.00 0.00 0.00 175.76 175.90 1waa s LEU 1 N -2.56 3.69 0.22 0.00 1.43 -1.26 -4.99 118.68 115.22 1waa s LEU 1 Ca 0.58 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 55.48 1waa s LEU 1 Cb -0.30 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.27 1waa s LEU 1 CO 0.37 -1.23 1.21 -0.63 0.23 0.00 0.00 176.35 176.30 1waa s ILE 2 N -1.91 3.39 0.19 -0.59 -1.09 -1.26 -5.02 121.20 114.90 1waa s ILE 2 Ca 0.71 1.22 0.08 0.00 -2.23 0.00 0.00 60.65 60.43 1waa s ILE 2 Cb -0.22 -3.78 -0.04 0.00 -1.58 0.00 0.00 42.46 36.83 1waa s ILE 2 CO 0.29 0.22 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.46 1waa s GLU 3 N -0.61 1.29 -0.13 2.79 2.02 -1.26 -3.70 118.70 119.11 1waa s GLU 3 Ca 0.52 -1.51 -0.26 0.00 0.02 0.00 0.00 54.97 53.73 1waa s GLU 3 Cb -0.34 -1.15 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 1waa s GLU 3 CO 0.40 0.20 0.85 0.08 0.02 0.00 0.00 175.26 176.81 1waa s VAL 4 N -2.68 4.89 -0.21 2.63 1.01 -1.26 -0.86 120.40 123.92 1waa s VAL 4 Ca 0.20 1.70 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 1waa s VAL 4 Cb -0.02 -4.16 -0.20 0.00 0.00 0.00 0.00 36.38 32.00 1waa s VAL 4 CO 0.06 0.07 -0.02 -0.62 0.00 0.00 0.00 175.10 174.59 1waa n GLU 5 N 4.83 0.68 -3.84 2.72 -0.58 0.10 -4.83 120.64 119.73 1waa n GLU 5 Ca 0.04 0.20 -0.30 0.00 -0.42 0.00 0.00 57.16 56.69 1waa n GLU 5 Cb 0.49 -1.59 -0.15 0.00 -0.57 0.00 0.00 31.44 29.62 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 -2.53 1.07 0.86 3.49 1.02 -0.85 -4.98 119.74 117.83 1waa s LYS 6 Ca -0.31 -1.13 -0.11 0.00 0.02 0.00 0.00 55.97 54.44 1waa s LYS 6 Cb 0.08 -2.38 0.11 0.00 -0.52 0.00 0.00 37.83 35.13 1waa s LYS 6 CO 0.65 -0.84 1.10 -1.25 -0.92 0.00 0.00 175.35 174.09 1waa s PRO 7 N 1.45 1.49 0.29 -1.68 0.04 -1.26 -1.30 135.00 134.03 1waa s PRO 7 Ca 0.05 1.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1waa s PRO 7 Cb -0.18 -1.81 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1waa s PRO 7 CO -0.15 -2.17 1.31 1.28 0.04 0.00 0.00 177.00 177.31 1waa n LEU 8 N -3.88 3.18 -4.83 -3.56 4.32 -1.26 -4.75 117.00 106.23 1waa n LEU 8 Ca 0.09 1.18 -0.31 0.00 -0.02 0.00 0.00 56.01 56.95 1waa n LEU 8 Cb 0.53 -1.44 -0.06 0.00 -1.62 0.00 0.00 43.42 40.84 1waa n LEU 8 CO 0.53 -0.58 -0.22 -0.31 -1.22 0.00 0.00 177.39 175.59 1waa s TYR 9 N -0.65 3.32 0.75 -1.77 2.02 -1.26 -4.74 117.35 115.02 1waa s TYR 9 Ca 0.61 0.15 -0.15 0.00 -0.37 0.00 0.00 57.07 57.32 1waa s TYR 9 Cb -0.62 -1.68 0.05 0.00 -0.40 0.00 0.00 41.96 39.31 1waa s TYR 9 CO 0.57 0.55 1.21 0.20 -1.57 0.00 0.00 175.55 176.51 1waa s GLY 10 N -2.37 2.31 -0.02 0.71 0.00 -1.26 -4.75 107.32 101.95 1waa s GLY 10 Ca 0.31 0.89 0.02 0.00 0.00 0.00 0.00 44.72 45.93 1waa s GLY 10 CO 0.23 1.30 -0.05 0.14 0.00 0.00 0.00 173.10 174.72 1waa s VAL 11 N -2.00 0.50 -0.01 1.40 1.01 -0.58 -4.96 120.40 115.75 1waa s VAL 11 Ca 0.74 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1waa s VAL 11 Cb -0.30 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1waa s VAL 11 CO 0.47 0.17 -0.10 -1.61 0.00 0.00 0.00 175.10 174.03 1waa s GLU 12 N 0.29 2.50 -0.07 2.72 2.02 -1.26 -0.94 118.70 123.97 1waa s GLU 12 Ca -0.03 -0.73 -0.12 0.00 0.02 0.00 0.00 54.97 54.11 1waa s GLU 12 Cb -0.08 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.73 1waa s GLU 12 CO -0.00 0.61 0.29 0.54 0.02 0.00 0.00 175.26 176.72 1waa s VAL 13 N -0.91 0.03 0.45 2.63 0.11 0.39 -4.95 120.40 118.15 1waa s VAL 13 Ca 0.15 -0.24 -0.06 0.00 -2.93 0.00 0.00 61.98 58.90 1waa s VAL 13 Cb -0.11 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1waa s VAL 13 CO 0.05 -0.13 0.76 -0.36 -3.33 0.00 0.00 175.10 172.09 1waa s PHE 14 N -0.54 3.54 0.23 1.54 0.40 -1.26 -0.74 117.98 121.15 1waa s PHE 14 Ca -0.06 0.84 -0.32 0.00 -0.60 0.00 0.00 56.93 56.79 1waa s PHE 14 Cb -0.04 -2.31 -0.12 0.00 0.51 0.00 0.00 43.02 41.06 1waa s PHE 14 CO 0.02 -0.21 1.66 0.28 0.70 0.00 0.00 175.22 177.67 1waa n VAL 15 N -1.99 0.30 0.00 -0.44 0.31 -0.14 -1.54 118.33 114.82 1waa n VAL 15 Ca 0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1waa n VAL 15 Cb 0.55 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 3.37 2.00 3.96 2.92 0.00 0.16 -4.93 105.19 112.65 1waa n GLY 16 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.64 1.77 0.01 1.61 0.41 -0.59 -3.94 118.70 117.34 1waa s GLU 17 Ca 0.00 -0.64 0.02 0.00 -0.41 0.00 0.00 54.97 53.94 1waa s GLU 17 Cb 0.00 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 30.11 1waa s GLU 17 CO 0.00 -1.46 -0.00 -0.08 -0.49 0.00 0.00 175.26 173.23 1waa s THR 18 N -3.27 4.12 -0.03 3.63 -1.32 -1.26 -1.35 115.64 116.17 1waa s THR 18 Ca 0.64 -0.66 0.02 0.00 -1.21 0.00 0.00 61.69 60.48 1waa s THR 18 Cb -0.08 -2.86 -0.03 0.00 -1.51 0.00 0.00 72.50 68.03 1waa s THR 18 CO 0.45 0.34 -0.06 0.00 -2.21 0.00 0.00 174.62 173.14 1waa s ALA 19 N -1.12 3.02 -0.11 11.08 0.00 -0.41 -4.97 121.76 129.25 1waa s ALA 19 Ca 0.20 -0.95 -0.00 0.00 0.00 0.00 0.00 51.96 51.21 1waa s ALA 19 Cb -0.12 -1.19 0.02 0.00 0.00 0.00 0.00 23.12 21.84 1waa s ALA 19 CO 0.11 0.60 -0.07 -1.01 0.00 0.00 0.00 175.76 175.39 1waa s HIS 20 N -0.91 1.42 0.07 0.00 3.76 -1.26 -0.93 115.29 117.44 1waa s HIS 20 Ca 0.15 -0.69 0.04 0.00 -0.15 0.00 0.00 55.06 54.41 1waa s HIS 20 Cb -0.11 -1.19 -0.04 0.00 1.11 0.00 0.00 32.58 32.35 1waa s HIS 20 CO 0.05 -0.48 0.03 -0.06 -0.85 0.00 0.00 174.74 173.42 1waa s PHE 21 N 1.65 3.07 -0.06 1.40 0.08 0.35 -4.98 117.98 119.49 1waa s PHE 21 Ca 0.04 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.01 1waa s PHE 21 Cb -0.13 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1waa s PHE 21 CO -0.07 0.49 0.27 -1.83 -0.10 0.00 0.00 175.22 173.98 1waa s GLU 22 N -2.19 0.46 0.00 0.44 -1.05 -1.26 -1.78 118.70 113.32 1waa s GLU 22 Ca 0.26 0.10 -0.01 0.00 -0.15 0.00 0.00 54.97 55.17 1waa s GLU 22 Cb -0.12 0.21 -0.01 0.00 -0.44 0.00 0.00 34.13 33.77 1waa s GLU 22 CO 0.18 -0.09 0.01 -1.50 0.95 0.00 0.00 175.26 174.81 1waa s ILE 23 N -0.52 0.04 -0.11 1.83 2.07 -0.50 -4.06 121.20 119.96 1waa s ILE 23 Ca -0.06 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 58.84 1waa s ILE 23 Cb -0.04 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.40 1waa s ILE 23 CO 0.02 -0.19 -0.17 -0.70 -1.91 0.00 0.00 174.94 171.98 1waa s GLU 24 N -0.57 3.18 0.45 3.50 2.12 -0.42 -0.82 118.70 126.14 1waa s GLU 24 Ca -0.06 -0.76 0.08 0.00 0.36 0.00 0.00 54.97 54.60 1waa s GLU 24 Cb -0.04 -2.49 0.03 0.00 0.26 0.00 0.00 34.13 31.89 1waa s GLU 24 CO -0.00 0.24 0.62 -0.51 -0.54 0.00 0.00 175.26 175.07 1waa s LEU 25 N 0.24 3.54 0.10 2.70 1.02 0.13 0.01 118.68 126.43 1waa s LEU 25 Ca -0.11 -0.51 0.25 0.00 0.02 0.00 0.00 54.13 53.78 1waa s LEU 25 Cb -0.16 -2.44 0.98 0.00 0.02 0.00 0.00 46.19 44.58 1waa s LEU 25 CO 0.06 -0.88 1.79 -1.54 0.02 0.00 0.00 176.35 175.80 1waa n SER 26 N -1.93 0.36 -3.89 2.29 3.41 -0.04 -4.58 113.62 109.24 1waa n SER 26 Ca 0.10 0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 59.14 1waa n SER 26 Cb 0.60 -0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.07 0.20 0.70 4.33 0.41 -1.26 -4.98 118.70 115.04 1waa s GLU 27 Ca 0.11 -0.19 -0.11 0.00 -0.41 0.00 0.00 54.97 54.37 1waa s GLU 27 Cb 0.14 0.08 0.01 0.00 -1.78 0.00 0.00 34.13 32.59 1waa s GLU 27 CO 0.50 -0.04 1.07 -1.25 -0.49 0.00 0.00 175.26 175.05 1waa s PRO 28 N -0.61 2.87 -1.36 0.39 0.04 -1.26 -4.33 135.00 130.73 1waa s PRO 28 Ca -0.07 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1waa s PRO 28 Cb -0.04 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1waa s PRO 28 CO 0.00 -1.11 0.00 -0.25 0.04 0.00 0.00 177.00 175.68 1waa n ASP 29 N -3.12 -4.54 -4.78 6.66 8.00 -1.09 -4.91 116.55 112.76 1waa n ASP 29 Ca 0.07 0.14 -0.39 0.00 0.71 0.00 0.00 54.79 55.33 1waa n ASP 29 Cb 0.55 -3.54 -0.06 0.00 -0.02 0.00 0.00 41.12 38.05 1waa n ASP 29 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1waa s VAL 30 N -2.64 4.81 -0.04 2.53 1.01 -1.26 -5.06 120.40 119.74 1waa s VAL 30 Ca 0.00 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.08 1waa s VAL 30 Cb 0.00 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1waa s VAL 30 CO 0.00 0.48 0.45 -1.00 0.00 0.00 0.00 175.10 175.03 1waa s HIS 31 N -0.61 3.65 0.04 5.22 3.76 -1.26 -5.06 115.29 121.03 1waa s HIS 31 Ca 0.31 0.98 0.01 0.00 -0.15 0.00 0.00 55.06 56.21 1waa s HIS 31 Cb -0.19 -2.42 -0.00 0.00 1.11 0.00 0.00 32.58 31.07 1waa s HIS 31 CO 0.18 0.44 0.03 0.41 -0.85 0.00 0.00 174.74 174.96 1waa n GLY 32 N 2.41 3.90 3.13 -2.22 0.00 -1.26 -4.42 105.19 106.72 1waa n GLY 32 Ca -0.11 -1.68 -0.12 0.00 0.00 0.00 0.00 46.02 44.11 1waa n GLY 32 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1waa s GLN 33 N -2.14 0.28 -0.01 1.61 0.74 0.18 -4.98 119.66 115.34 1waa s GLN 33 Ca 0.04 0.50 -0.05 0.00 0.05 0.00 0.00 55.36 55.90 1waa s GLN 33 Cb 0.00 0.01 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 1waa s GLN 33 CO 0.03 -0.11 0.23 -1.58 -0.55 0.00 0.00 175.29 173.31 1waa s TRP 34 N 0.79 3.57 0.06 1.67 0.52 -1.26 -1.40 118.94 122.89 1waa s TRP 34 Ca -0.05 0.51 0.02 0.00 0.02 0.00 0.00 56.10 56.59 1waa s TRP 34 Cb -0.06 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.29 1waa s TRP 34 CO -0.05 0.63 -0.07 0.15 0.02 0.00 0.00 176.95 177.63 1waa s LYS 35 N -1.75 0.60 -0.10 4.98 1.02 0.44 -1.92 119.74 123.01 1waa s LYS 35 Ca 0.26 -0.92 0.01 0.00 0.02 0.00 0.00 55.97 55.34 1waa s LYS 35 Cb -0.13 -0.23 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 1waa s LYS 35 CO 0.16 0.02 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.34 1waa s LEU 36 N -2.01 1.40 -1.58 3.17 0.20 -0.07 -0.97 118.68 118.83 1waa s LEU 36 Ca -0.04 -0.32 -0.11 0.00 0.69 0.00 0.00 54.13 54.35 1waa s LEU 36 Cb -0.05 -0.87 0.09 0.00 -0.43 0.00 0.00 46.19 44.93 1waa s LEU 36 CO -0.01 -0.06 0.64 0.29 -0.29 0.00 0.00 176.35 176.92 1waa n LYS 37 N 4.51 -3.33 -0.89 1.98 5.02 0.16 -0.77 118.16 124.85 1waa n LYS 37 Ca -0.17 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1waa n LYS 37 Cb 0.51 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 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 -1.68 0.46 3.63 0.72 0.00 -1.26 -4.99 105.19 102.07 1waa n GLY 38 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.59 3.99 0.26 1.61 1.11 0.05 -5.03 119.66 121.06 1waa s GLN 39 Ca 0.00 -0.33 -0.31 0.00 0.01 0.00 0.00 55.36 54.74 1waa s GLN 39 Cb 0.00 -3.34 -0.13 0.00 -1.01 0.00 0.00 33.01 28.53 1waa s GLN 39 CO 0.00 0.16 1.48 -0.35 0.01 0.00 0.00 175.29 176.60 1waa n PRO 40 N 3.90 2.29 -2.50 2.91 -0.04 -1.26 -0.89 135.00 139.40 1waa n PRO 40 Ca -0.16 0.81 -0.41 0.00 -0.04 0.00 0.00 63.50 63.70 1waa n PRO 40 Cb 0.52 -2.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.42 1waa n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1waa s LEU 41 N -0.06 4.47 -0.23 1.53 1.43 -0.81 -4.85 118.68 120.17 1waa s LEU 41 Ca 0.67 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.70 1waa s LEU 41 Cb -0.59 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.99 1waa s LEU 41 CO 0.49 -0.26 0.33 0.00 0.23 0.00 0.00 176.35 177.13 1waa s ALA 42 N -0.02 3.57 0.23 4.21 0.00 -1.26 -4.94 121.76 123.55 1waa s ALA 42 Ca 0.51 -0.69 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 1waa s ALA 42 Cb -0.29 -2.57 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 1waa s ALA 42 CO 0.34 -0.36 1.53 0.00 0.00 0.00 0.00 175.76 177.28 1waa s ALA 43 N 1.43 3.72 0.32 0.00 0.00 -1.26 -4.80 121.76 121.17 1waa s ALA 43 Ca 0.15 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.44 1waa s ALA 43 Cb -0.15 -3.61 0.01 0.00 0.00 0.00 0.00 23.12 19.38 1waa s ALA 43 CO 0.08 -0.82 0.55 -1.54 0.00 0.00 0.00 175.76 174.02 1waa s SER 44 N 0.70 0.42 0.43 0.00 1.04 0.75 -4.96 113.70 112.08 1waa s SER 44 Ca 0.65 -1.24 0.17 0.00 0.48 0.00 0.00 55.95 56.00 1waa s SER 44 Cb -0.44 0.68 1.07 0.00 0.10 0.00 0.00 66.02 67.43 1waa s SER 44 CO 0.40 -1.34 1.91 -0.65 0.98 0.00 0.00 173.24 174.54 1waa h PRO 45 N 2.13 0.38 -0.26 4.02 0.11 -2.01 -1.12 132.00 135.25 1waa h PRO 45 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1waa h PRO 45 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1waa h PRO 45 CO 0.38 0.25 0.00 -0.25 -0.21 0.00 0.00 178.00 178.17 1waa n ASP 46 N -4.48 2.67 -3.51 -2.05 8.00 -1.26 -4.71 116.55 111.21 1waa n ASP 46 Ca 0.15 -1.87 -0.27 0.00 0.71 0.00 0.00 54.79 53.51 1waa n ASP 46 Cb 0.56 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 41.36 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 2.12 3.36 -0.20 0.00 2.02 -0.25 -0.18 118.70 125.57 1waa s GLU 48 Ca 0.09 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.37 1waa s GLU 48 Cb -0.16 -2.63 -0.01 0.00 0.10 0.00 0.00 34.13 31.43 1waa s GLU 48 CO -0.35 0.23 -0.05 0.42 0.02 0.00 0.00 175.26 175.52 1waa s ILE 49 N 0.31 3.41 -0.02 -1.63 1.01 -1.26 -0.81 121.20 122.20 1waa s ILE 49 Ca -0.10 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.11 1waa s ILE 49 Cb -0.16 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1waa s ILE 49 CO 0.06 0.44 -0.19 -0.63 0.00 0.00 0.00 174.94 174.62 1waa s ILE 50 N 1.19 1.49 0.00 2.92 -1.09 0.99 -5.02 121.20 121.68 1waa s ILE 50 Ca 0.02 -0.80 0.05 0.00 -2.23 0.00 0.00 60.65 57.69 1waa s ILE 50 Cb -0.14 -1.24 -0.01 0.00 -1.58 0.00 0.00 42.46 39.48 1waa s ILE 50 CO -0.01 0.42 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.37 1waa s GLU 51 N -0.37 1.11 -0.29 2.79 8.01 -1.26 -0.68 118.70 128.01 1waa s GLU 51 Ca 0.06 -0.56 0.03 0.00 0.01 0.00 0.00 54.97 54.50 1waa s GLU 51 Cb -0.08 -1.09 0.19 0.00 -4.31 0.00 0.00 34.13 28.85 1waa s GLU 51 CO -0.00 0.29 0.59 0.34 0.01 0.00 0.00 175.26 176.49 1waa s ASP 52 N -0.51 -1.44 1.81 -0.19 -1.08 -0.71 -5.04 116.67 109.52 1waa s ASP 52 Ca 0.05 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.56 1waa s ASP 52 Cb -0.06 2.06 0.00 0.00 -1.46 0.00 0.00 42.92 43.46 1waa s ASP 52 CO -0.00 -0.28 0.00 0.61 0.52 0.00 0.00 175.17 176.01 1waa n GLY 53 N 5.42 3.85 0.03 2.66 0.00 -1.26 -1.33 105.19 114.56 1waa n GLY 53 Ca 0.02 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.23 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 0.48 -3.53 1.61 5.02 -1.26 -2.68 118.16 131.81 1waa n LYS 54 Ca 0.00 -0.06 -0.38 0.00 -2.02 0.00 0.00 58.31 55.86 1waa n LYS 54 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.56 3.92 -0.06 1.97 -0.14 -0.44 -0.69 119.74 121.74 1waa s LYS 55 Ca 0.28 0.34 0.04 0.00 -1.36 0.00 0.00 55.97 55.27 1waa s LYS 55 Cb 0.20 -3.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.11 1waa s LYS 55 CO 0.47 0.63 -0.17 -1.01 -0.76 0.00 0.00 175.35 174.52 1waa s HIS 56 N -0.85 1.80 0.02 3.18 3.76 0.00 -1.74 115.29 121.46 1waa s HIS 56 Ca 0.23 -0.62 0.03 0.00 -0.15 0.00 0.00 55.06 54.55 1waa s HIS 56 Cb -0.16 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.28 1waa s HIS 56 CO 0.12 -0.26 -0.11 0.42 -0.85 0.00 0.00 174.74 174.06 1waa s ILE 57 N 0.32 0.83 -0.10 0.60 1.01 0.15 -1.40 121.20 122.60 1waa s ILE 57 Ca -0.11 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 59.88 1waa s ILE 57 Cb -0.14 -0.74 0.01 0.00 0.01 0.00 0.00 42.46 41.59 1waa s ILE 57 CO 0.04 0.05 -0.19 -0.22 0.00 0.00 0.00 174.94 174.62 1waa s LEU 58 N -0.72 1.92 -0.16 2.97 2.96 -0.73 -0.01 118.68 124.92 1waa s LEU 58 Ca 0.01 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1waa s LEU 58 Cb -0.06 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.42 1waa s LEU 58 CO 0.00 0.09 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.32 1waa s ILE 59 N 0.60 2.42 -0.28 6.68 1.01 0.00 -0.50 121.20 131.13 1waa s ILE 59 Ca -0.14 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 1waa s ILE 59 Cb -0.17 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.35 1waa s ILE 59 CO 0.04 0.53 -0.05 -0.76 0.00 0.00 0.00 174.94 174.70 1waa s LEU 60 N 0.90 3.63 0.44 2.97 1.43 -0.10 -1.09 118.68 126.86 1waa s LEU 60 Ca -0.04 -1.26 -0.05 0.00 -1.03 0.00 0.00 54.13 51.75 1waa s LEU 60 Cb -0.15 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1waa s LEU 60 CO -0.02 -0.22 0.73 -1.00 0.23 0.00 0.00 176.35 176.06 1waa s HIS 61 N 1.21 3.54 -1.33 0.29 3.76 0.13 -1.29 115.29 121.59 1waa s HIS 61 Ca -0.06 0.74 -0.03 0.00 -0.15 0.00 0.00 55.06 55.56 1waa s HIS 61 Cb -0.19 -2.23 -0.00 0.00 1.11 0.00 0.00 32.58 31.26 1waa s HIS 61 CO -0.03 -0.16 0.57 -1.71 -0.85 0.00 0.00 174.74 172.56 1waa n ASN 62 N -1.98 -1.39 -4.78 1.40 5.15 -1.18 -4.87 115.26 107.61 1waa n ASN 62 Ca -0.00 -0.94 -0.41 0.00 -0.60 0.00 0.00 54.58 52.63 1waa n ASN 62 Cb 0.55 -3.46 0.00 0.00 -0.53 0.00 0.00 39.78 36.34 1waa n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1waa s GLN 64 N -2.20 1.37 0.29 0.00 -1.52 -1.26 0.36 119.66 116.69 1waa s GLN 64 Ca 0.55 -1.53 0.03 0.00 -1.95 0.00 0.00 55.36 52.46 1waa s GLN 64 Cb -0.46 -1.38 0.63 0.00 -0.22 0.00 0.00 33.01 31.59 1waa s GLN 64 CO 0.62 0.26 1.78 -0.07 -0.25 0.00 0.00 175.29 177.64 1waa h LEU 65 N 2.87 0.74 -1.39 2.90 4.07 -1.95 -1.23 115.31 121.31 1waa h LEU 65 Ca -0.41 0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.64 1waa h LEU 65 Cb 1.22 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1waa h LEU 65 CO 0.56 0.31 0.00 1.23 -1.08 0.00 0.00 178.44 179.45 1waa h GLY 66 N 0.77 0.00 2.00 0.83 0.00 -1.97 -2.67 103.07 102.04 1waa h GLY 66 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1waa h GLY 66 CO -0.35 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.22 1waa n MET 67 N -2.61 0.09 -1.67 4.80 2.81 -0.46 -4.86 117.12 115.22 1waa n MET 67 Ca 0.00 0.16 -0.46 0.00 -1.81 0.00 0.00 57.70 55.59 1waa n MET 67 Cb 0.19 -1.63 -0.04 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 -1.80 0.35 -1.84 2.03 -1.04 -1.01 -4.83 114.28 106.15 1waa n THR 68 Ca 0.05 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1waa n THR 68 Cb 0.32 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 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 2.90 0.02 3.72 3.41 0.00 -0.38 -5.00 105.19 109.86 1waa n GLY 69 Ca 0.15 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 4.59 -0.13 1.61 2.12 -1.26 -0.25 118.70 123.37 1waa s GLU 70 Ca 0.00 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 1waa s GLU 70 Cb 0.00 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 1waa s GLU 70 CO 0.00 0.02 -0.02 0.08 -0.54 0.00 0.00 175.26 174.81 1waa s VAL 71 N 0.54 4.12 0.09 3.70 1.01 -0.02 0.39 120.40 130.22 1waa s VAL 71 Ca 0.51 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.22 1waa s VAL 71 Cb -0.24 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1waa s VAL 71 CO 0.30 0.53 -0.07 -0.94 0.00 0.00 0.00 175.10 174.91 1waa s SER 72 N -0.06 1.13 -0.02 3.32 1.04 -0.14 -1.32 113.70 117.65 1waa s SER 72 Ca 0.03 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.58 1waa s SER 72 Cb -0.13 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1waa s SER 72 CO 0.02 -0.39 -0.08 0.12 0.98 0.00 0.00 173.24 173.89 1waa s PHE 73 N -3.05 0.84 -0.00 5.02 2.19 -0.60 -0.42 117.98 121.96 1waa s PHE 73 Ca 0.07 -0.20 0.00 0.00 0.33 0.00 0.00 56.93 57.14 1waa s PHE 73 Cb 0.01 -0.60 0.00 0.00 -1.31 0.00 0.00 43.02 41.13 1waa s PHE 73 CO -0.03 -0.08 -0.01 -1.14 1.83 0.00 0.00 175.22 175.79 1waa s GLN 74 N 0.16 0.08 -0.30 10.12 0.74 -0.49 -1.44 119.66 128.53 1waa s GLN 74 Ca -0.02 -0.01 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 1waa s GLN 74 Cb -0.07 -0.11 0.10 0.00 1.10 0.00 0.00 33.01 34.02 1waa s GLN 74 CO 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 175.29 174.83 1waa s ALA 75 N 0.11 1.51 0.00 1.58 0.00 0.93 -0.65 121.76 125.23 1waa s ALA 75 Ca -0.01 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1waa s ALA 75 Cb -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 23.12 21.52 1waa s ALA 75 CO -0.00 -1.61 0.00 0.00 0.00 0.00 0.00 175.76 174.15 1waa n ALA 76 N 4.86 0.00 0.19 0.00 0.00 -1.26 0.13 120.51 124.43 1waa n ALA 76 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 1waa n ALA 76 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1waa n ALA 76 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 1waa h ASN 77 N 0.00 -0.40 -3.51 0.00 -1.24 -1.96 -3.45 115.58 105.01 1waa h ASN 77 Ca 0.00 -0.12 -0.52 0.00 0.71 0.00 0.00 56.30 56.37 1waa h ASN 77 Cb 0.00 0.10 0.02 0.00 0.73 0.00 0.00 38.32 39.18 1waa h ASN 77 CO 0.00 -0.10 0.57 -0.89 -1.29 0.00 0.00 177.43 175.73 1waa s THR 78 N -5.07 3.46 -0.06 -3.57 2.01 0.12 -5.06 115.64 107.47 1waa s THR 78 Ca -0.15 1.25 -0.08 0.00 0.31 0.00 0.00 61.69 63.02 1waa s THR 78 Cb 0.03 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.76 1waa s THR 78 CO 0.57 0.21 0.20 -0.75 -0.69 0.00 0.00 174.62 174.16 1waa s LYS 79 N -0.40 0.32 -0.03 4.92 2.47 -1.26 -0.05 119.74 125.71 1waa s LYS 79 Ca 0.53 0.11 -0.09 0.00 -1.56 0.00 0.00 55.97 54.95 1waa s LYS 79 Cb -0.34 0.15 0.01 0.00 -1.46 0.00 0.00 37.83 36.20 1waa s LYS 79 CO 0.38 -0.06 0.21 0.45 0.16 0.00 0.00 175.35 176.50 1waa s SER 80 N -0.30 -0.12 0.02 1.43 0.15 -0.52 -4.91 113.70 109.44 1waa s SER 80 Ca -0.04 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 1waa s SER 80 Cb -0.03 0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1waa s SER 80 CO 0.01 -0.29 0.00 0.00 1.20 0.00 0.00 173.24 174.16 1waa s ALA 81 N -0.86 0.04 0.22 5.45 0.00 -1.26 -1.55 121.76 123.79 1waa s ALA 81 Ca -0.09 -0.48 -0.13 0.00 0.00 0.00 0.00 51.96 51.26 1waa s ALA 81 Cb -0.05 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.20 1waa s ALA 81 CO 0.02 -0.16 0.44 0.00 0.00 0.00 0.00 175.76 176.06 1waa s ALA 82 N -1.36 -0.33 0.00 0.00 0.00 -0.44 -4.76 121.76 114.87 1waa s ALA 82 Ca -0.15 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 1waa s ALA 82 Cb -0.09 0.98 -0.06 0.00 0.00 0.00 0.00 23.12 23.95 1waa s ALA 82 CO -0.01 -0.80 0.45 1.21 0.00 0.00 0.00 175.76 176.61 1waa s ASN 83 N -2.98 6.85 -0.23 0.00 3.04 -1.26 -0.84 114.94 119.51 1waa s ASN 83 Ca 0.18 1.01 -0.08 0.00 0.04 0.00 0.00 52.86 54.01 1waa s ASN 83 Cb 0.00 -2.28 -0.03 0.00 -1.54 0.00 0.00 41.25 37.40 1waa s ASN 83 CO 0.05 0.28 0.08 -0.22 -3.04 0.00 0.00 177.10 174.25 1waa s LEU 84 N -0.90 3.60 -0.23 3.21 0.20 0.65 -1.53 118.68 123.68 1waa s LEU 84 Ca 0.25 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 54.99 1waa s LEU 84 Cb -0.17 -1.95 0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1waa s LEU 84 CO 0.14 0.03 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.36 1waa s LYS 85 N 1.24 2.25 -0.18 1.98 2.20 -0.12 -1.25 119.74 125.86 1waa s LYS 85 Ca 0.05 -1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 54.46 1waa s LYS 85 Cb -0.14 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.42 1waa s LYS 85 CO 0.04 -0.49 0.07 0.08 -0.36 0.00 0.00 175.35 174.69 1waa s VAL 86 N 1.22 4.88 0.17 4.02 1.01 -1.26 -0.46 120.40 129.99 1waa s VAL 86 Ca -0.05 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1waa s VAL 86 Cb -0.18 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1waa s VAL 86 CO -0.07 0.47 -0.00 -0.54 0.00 0.00 0.00 175.10 174.96 1waa s LYS 87 N 0.22 1.10 -0.12 2.72 1.02 0.08 -4.82 119.74 119.94 1waa s LYS 87 Ca 0.05 -1.52 -0.12 0.00 0.02 0.00 0.00 55.97 54.40 1waa s LYS 87 Cb -0.12 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.87 1waa s LYS 87 CO 0.00 -0.12 0.27 -1.21 -0.92 0.00 0.00 175.35 173.37 1waa s GLU 88 N -3.91 3.96 0.00 1.68 2.02 -1.26 -0.97 118.70 120.23 1waa s GLU 88 Ca 0.23 0.09 0.29 0.00 0.02 0.00 0.00 54.97 55.59 1waa s GLU 88 Cb 0.06 -3.32 1.16 0.00 0.10 0.00 0.00 34.13 32.13 1waa s GLU 88 CO 0.03 0.49 1.81 -0.11 0.02 0.00 0.00 175.26 177.50