#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d7g s VAL 3 N 0.00 4.40 -0.27 -1.45 1.01 -1.26 -5.06 120.40 117.77 2d7g s VAL 3 Ca 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 2d7g s VAL 3 Cb 0.00 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 2d7g s VAL 3 CO 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 175.10 174.84 2d7g s ALA 4 N 1.50 3.07 -0.61 5.51 0.00 -1.26 -5.05 121.76 124.92 2d7g s ALA 4 Ca 0.02 -1.31 -0.28 0.00 0.00 0.00 0.00 51.96 50.39 2d7g s ALA 4 Cb -0.20 -2.07 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2d7g s ALA 4 CO 0.05 -0.72 1.39 -1.01 0.00 0.00 0.00 175.76 175.47 2d7g s HIS 5 N 1.54 2.27 -0.10 0.00 3.76 -1.26 -4.99 115.29 116.51 2d7g s HIS 5 Ca 0.04 0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 55.22 2d7g s HIS 5 Cb -0.16 -4.44 -0.05 0.00 1.11 0.00 0.00 32.58 29.04 2d7g s HIS 5 CO 0.02 -1.98 0.22 0.08 -0.85 0.00 0.00 174.74 172.23 2d7g s VAL 6 N 6.10 5.36 -0.25 -0.90 1.01 -1.26 -5.08 120.40 125.37 2d7g s VAL 6 Ca 0.48 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.77 2d7g s VAL 6 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2d7g s VAL 6 CO 0.22 0.57 0.14 0.00 0.00 0.00 0.00 175.10 176.03 2d7g s ALA 7 N -0.79 3.44 0.23 5.51 0.00 -1.26 -5.09 121.76 123.80 2d7g s ALA 7 Ca 0.17 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.20 2d7g s ALA 7 Cb -0.13 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2d7g s ALA 7 CO 0.06 -0.36 0.08 -0.51 0.00 0.00 0.00 175.76 175.03 2d7g s LEU 8 N 1.38 3.48 -1.19 0.00 1.43 -1.26 -5.05 118.68 117.47 2d7g s LEU 8 Ca 0.06 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 2d7g s LEU 8 Cb -0.15 -2.04 0.20 0.00 0.03 0.00 0.00 46.19 44.24 2d7g s LEU 8 CO 0.06 0.01 1.45 -2.65 0.23 0.00 0.00 176.35 175.45 2d7g n PRO 9 N -0.78 3.53 -1.99 1.29 -0.02 -1.26 -5.02 135.00 130.76 2d7g n PRO 9 Ca -0.08 -3.98 -0.32 0.00 -2.02 0.00 0.00 63.50 57.10 2d7g n PRO 9 Cb 0.57 -2.88 0.01 0.00 -0.02 0.00 0.00 33.50 31.19 2d7g n PRO 9 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2d7g s VAL 10 N 0.43 3.93 0.00 -1.45 0.11 -1.26 -5.07 120.40 117.09 2d7g s VAL 10 Ca 0.39 0.85 0.00 0.00 -2.93 0.00 0.00 61.98 60.29 2d7g s VAL 10 Cb -0.02 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2d7g s VAL 10 CO -0.01 -0.60 0.00 -2.65 -3.33 0.00 0.00 175.10 168.52 2d7g n PRO 11 N -2.21 -0.04 0.00 1.54 -0.02 -1.26 -5.00 135.00 128.02 2d7g n PRO 11 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2d7g n PRO 11 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2d7g n PRO 11 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2d7g n LEU 12 N 0.00 0.00 -4.81 2.45 4.77 -1.26 -4.57 117.00 113.58 2d7g n LEU 12 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2d7g n LEU 12 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 2d7g n LEU 12 CO 0.00 0.00 0.49 -2.84 -1.33 0.00 0.00 177.39 173.71 2d7g s PRO 13 N 0.00 4.31 -0.51 3.23 0.02 -1.26 -4.89 135.00 135.90 2d7g s PRO 13 Ca 0.00 0.98 0.02 0.00 0.02 0.00 0.00 61.00 62.02 2d7g s PRO 13 Cb 0.00 -2.77 0.47 0.00 0.02 0.00 0.00 34.50 32.22 2d7g s PRO 13 CO 0.00 0.32 1.73 0.54 -0.33 0.00 0.00 177.00 179.26 2d7g n ARG 14 N 0.49 2.88 -0.75 5.54 1.74 -1.26 -5.03 116.66 120.27 2d7g n ARG 14 Ca -0.00 -3.53 -0.31 0.00 -0.77 0.00 0.00 57.85 53.24 2d7g n ARG 14 Cb 0.51 -2.24 0.16 0.00 -1.02 0.00 0.00 32.46 29.87 2d7g n ARG 14 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2d7g s THR 15 N -4.55 2.19 -0.22 0.55 -1.32 -1.26 -5.03 115.64 106.00 2d7g s THR 15 Ca 0.59 0.06 -0.07 0.00 -1.21 0.00 0.00 61.69 61.06 2d7g s THR 15 Cb 0.47 -2.13 -0.03 0.00 -1.51 0.00 0.00 72.50 69.30 2d7g s THR 15 CO 0.01 -0.08 0.06 -0.36 -2.21 0.00 0.00 174.62 172.05 2d7g s PHE 16 N -2.68 3.13 0.02 9.09 0.40 -1.26 -5.09 117.98 121.59 2d7g s PHE 16 Ca 0.66 -0.25 -0.29 0.00 -0.60 0.00 0.00 56.93 56.45 2d7g s PHE 16 Cb -0.22 -2.17 -0.04 0.00 0.51 0.00 0.00 43.02 41.10 2d7g s PHE 16 CO 0.58 -0.18 0.95 -0.51 0.70 0.00 0.00 175.22 176.75 2d7g s ASP 17 N 1.16 7.36 0.09 1.36 -0.00 -1.26 -5.05 116.67 120.34 2d7g s ASP 17 Ca 0.04 1.64 0.05 0.00 -0.00 0.00 0.00 52.55 54.29 2d7g s ASP 17 Cb -0.14 -2.56 -0.03 0.00 -0.00 0.00 0.00 42.92 40.19 2d7g s ASP 17 CO 0.03 -0.20 -0.13 -0.31 -0.00 0.00 0.00 175.17 174.57 2d7g s TYR 18 N 0.73 1.21 -0.13 4.23 1.51 -1.26 -4.74 117.35 118.91 2d7g s TYR 18 Ca 0.49 -0.54 -0.14 0.00 -1.01 0.00 0.00 57.07 55.87 2d7g s TYR 18 Cb -0.21 -0.66 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 2d7g s TYR 18 CO 0.27 0.06 0.33 -1.17 -1.11 0.00 0.00 175.55 173.94 2d7g s LEU 19 N -2.14 4.29 -0.11 -1.29 0.20 0.21 -4.88 118.68 114.96 2d7g s LEU 19 Ca 0.03 0.62 -0.25 0.00 0.69 0.00 0.00 54.13 55.22 2d7g s LEU 19 Cb -0.06 -2.43 -0.03 0.00 -0.43 0.00 0.00 46.19 43.23 2d7g s LEU 19 CO 0.02 0.14 0.78 -0.76 -0.29 0.00 0.00 176.35 176.24 2d7g s LEU 20 N 0.15 4.25 0.00 -0.68 1.43 -1.26 -0.81 118.68 121.76 2d7g s LEU 20 Ca 0.19 1.21 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2d7g s LEU 20 Cb -0.14 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.89 2d7g s LEU 20 CO 0.06 -0.26 0.00 -2.65 0.23 0.00 0.00 176.35 173.73 2d7g n PRO 21 N 4.47 -0.61 -3.52 1.29 -0.02 -1.26 -4.92 135.00 130.43 2d7g n PRO 21 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 2d7g n PRO 21 Cb 0.50 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.92 2d7g n PRO 21 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2d7g s GLU 22 N -1.94 3.99 -0.59 -0.52 2.56 -1.26 -4.35 118.70 116.59 2d7g s GLU 22 Ca 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 54.97 55.28 2d7g s GLU 22 Cb 0.00 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.85 2d7g s GLU 22 CO 0.00 0.55 0.50 0.41 -0.56 0.00 0.00 175.26 176.16 2d7g n GLY 23 N 2.28 0.09 3.13 -1.50 0.00 -1.26 -5.05 105.19 102.89 2d7g n GLY 23 Ca -0.13 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.71 2d7g n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2d7g s MET 24 N -4.84 0.55 0.16 1.61 0.00 -1.26 -5.16 119.30 110.35 2d7g s MET 24 Ca 0.05 0.56 -0.00 0.00 0.00 0.00 0.00 55.69 56.30 2d7g s MET 24 Cb -0.02 0.23 -0.04 0.00 0.00 0.00 0.00 34.83 35.00 2d7g s MET 24 CO 0.35 -1.01 0.33 -0.08 0.00 0.00 0.00 175.02 174.61 2d7g s THR 25 N 2.81 5.26 -0.02 10.11 -1.32 -1.26 -4.74 115.64 126.48 2d7g s THR 25 Ca 0.11 -0.39 0.03 0.00 -1.21 0.00 0.00 61.69 60.23 2d7g s THR 25 Cb -0.11 -3.70 -0.00 0.00 -1.51 0.00 0.00 72.50 67.18 2d7g s THR 25 CO -0.26 -0.07 -0.09 0.68 -2.21 0.00 0.00 174.62 172.67 2d7g s VAL 26 N -1.75 0.74 0.10 5.08 -7.23 -1.26 -5.08 120.40 111.00 2d7g s VAL 26 Ca 0.37 -0.38 -0.18 0.00 -1.81 0.00 0.00 61.98 59.99 2d7g s VAL 26 Cb -0.11 -0.64 -0.07 0.00 0.56 0.00 0.00 36.38 36.11 2d7g s VAL 26 CO 0.28 0.22 0.56 -0.54 -0.31 0.00 0.00 175.10 175.31 2d7g s LYS 27 N -0.03 4.12 -0.36 4.82 1.02 -1.26 -4.97 119.74 123.07 2d7g s LYS 27 Ca 0.01 0.65 -0.27 0.00 0.02 0.00 0.00 55.97 56.37 2d7g s LYS 27 Cb -0.06 -3.12 -0.05 0.00 -0.52 0.00 0.00 37.83 34.08 2d7g s LYS 27 CO -0.00 0.58 2.19 0.00 -0.92 0.00 0.00 175.35 177.20 2d7g s ALA 28 N -1.24 2.33 0.00 5.17 0.00 -1.26 -1.90 121.76 124.86 2d7g s ALA 28 Ca 0.32 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2d7g s ALA 28 Cb -0.18 -4.18 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2d7g s ALA 28 CO 0.19 -3.43 0.00 0.41 0.00 0.00 0.00 175.76 172.93 2d7g n GLY 29 N 5.79 -0.09 3.93 0.00 0.00 -0.12 -4.96 105.19 109.73 2d7g n GLY 29 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 2d7g n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d7g s ARG 31 N -2.90 4.22 0.06 0.00 0.52 -1.26 -0.34 118.95 119.24 2d7g s ARG 31 Ca 0.36 0.84 -0.06 0.00 -0.52 0.00 0.00 55.73 56.35 2d7g s ARG 31 Cb -0.12 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2d7g s ARG 31 CO 0.28 0.35 0.12 0.14 0.02 0.00 0.00 175.30 176.21 2d7g s VAL 32 N -1.60 0.15 -0.19 3.52 -7.23 0.72 -2.23 120.40 113.54 2d7g s VAL 32 Ca 0.45 -1.21 -0.08 0.00 -1.81 0.00 0.00 61.98 59.33 2d7g s VAL 32 Cb -0.16 -1.14 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2d7g s VAL 32 CO 0.20 -0.67 0.08 -0.60 -0.31 0.00 0.00 175.10 173.80 2d7g s ARG 33 N -3.21 4.02 0.05 4.82 6.06 0.13 0.79 118.95 131.61 2d7g s ARG 33 Ca 0.00 -0.32 -0.02 0.00 -2.50 0.00 0.00 55.73 52.89 2d7g s ARG 33 Cb 0.02 -3.27 -0.03 0.00 0.06 0.00 0.00 34.95 31.74 2d7g s ARG 33 CO -0.07 0.26 0.00 0.14 -2.50 0.00 0.00 175.30 173.14 2d7g s VAL 34 N 0.41 0.18 0.19 7.11 -7.23 -0.89 -0.35 120.40 119.83 2d7g s VAL 34 Ca 0.04 -1.50 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 2d7g s VAL 34 Cb -0.12 -1.19 -0.08 0.00 0.56 0.00 0.00 36.38 35.54 2d7g s VAL 34 CO -0.00 -0.83 0.77 -2.84 -0.31 0.00 0.00 175.10 171.89 2d7g s PRO 35 N -3.29 4.49 0.08 4.82 0.02 -1.26 -1.80 135.00 138.06 2d7g s PRO 35 Ca 0.01 1.10 0.01 0.00 0.02 0.00 0.00 61.00 62.14 2d7g s PRO 35 Cb 0.03 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 2d7g s PRO 35 CO -0.08 0.51 -0.05 0.12 -0.33 0.00 0.00 177.00 177.17 2d7g s PHE 36 N -1.27 0.73 0.00 6.54 5.36 0.24 -4.95 117.98 124.64 2d7g s PHE 36 Ca 0.38 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 2d7g s PHE 36 Cb -0.21 -0.46 0.00 0.00 -0.34 0.00 0.00 43.02 42.01 2d7g s PHE 36 CO 0.25 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.18 2d7g n GLY 37 N 0.06 1.18 1.86 13.12 0.00 -1.26 -3.06 105.19 117.09 2d7g n GLY 37 Ca -0.13 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2d7g n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d7g n LYS 38 N 0.00 0.00 -2.51 1.61 5.02 -1.26 -4.98 118.16 116.04 2d7g n LYS 38 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2d7g n LYS 38 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2d7g n LYS 38 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2d7g n GLN 39 N -2.61 2.69 -3.93 1.97 6.02 -1.25 -5.05 117.38 115.21 2d7g n GLN 39 Ca 0.00 -4.06 -0.10 0.00 -0.01 0.00 0.00 57.00 52.83 2d7g n GLN 39 Cb 0.00 -1.92 -0.10 0.00 1.02 0.00 0.00 30.24 29.24 2d7g n GLN 39 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2d7g s GLN 40 N -3.43 0.49 0.30 -1.09 -0.21 -1.17 -5.05 119.66 109.49 2d7g s GLN 40 Ca 0.41 -0.63 0.11 0.00 0.02 0.00 0.00 55.36 55.28 2d7g s GLN 40 Cb 0.41 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 34.56 2d7g s GLN 40 CO -0.09 -0.11 -0.17 -1.21 -2.12 0.00 0.00 175.29 171.58 2d7g s GLU 41 N -2.01 1.71 -0.19 2.91 2.02 -1.26 -0.59 118.70 121.29 2d7g s GLU 41 Ca -0.10 -1.81 -0.27 0.00 0.02 0.00 0.00 54.97 52.80 2d7g s GLU 41 Cb -0.05 -1.74 0.09 0.00 0.10 0.00 0.00 34.13 32.53 2d7g s GLU 41 CO -0.02 0.28 0.81 0.50 0.02 0.00 0.00 175.26 176.85 2d7g s ARG 42 N -3.54 0.80 0.01 1.61 3.52 -0.74 -4.87 118.95 115.73 2d7g s ARG 42 Ca 0.31 0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 56.20 2d7g s ARG 42 Cb -0.03 0.39 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 2d7g s ARG 42 CO 0.15 -0.17 0.97 0.42 -0.81 0.00 0.00 175.30 175.86 2d7g s ILE 43 N -0.30 4.84 0.45 4.11 -1.09 -1.26 -2.09 121.20 125.86 2d7g s ILE 43 Ca -0.03 2.04 0.01 0.00 -2.23 0.00 0.00 60.65 60.45 2d7g s ILE 43 Cb -0.03 -4.31 -0.00 0.00 -1.58 0.00 0.00 42.46 36.53 2d7g s ILE 43 CO 0.02 0.18 0.04 0.61 -1.23 0.00 0.00 174.94 174.55 2d7g n GLY 44 N 2.85 3.52 2.90 6.18 0.00 0.24 -4.93 105.19 115.95 2d7g n GLY 44 Ca 0.05 -2.30 -0.22 0.00 0.00 0.00 0.00 46.02 43.56 2d7g n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d7g s ILE 45 N -2.79 0.68 -0.05 -0.61 1.01 -1.26 -0.20 121.20 117.97 2d7g s ILE 45 Ca 0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.24 2d7g s ILE 45 Cb 0.00 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.72 2d7g s ILE 45 CO 0.04 0.27 1.46 -0.69 0.00 0.00 0.00 174.94 176.02 2d7g s VAL 46 N 1.14 3.77 -0.13 2.92 1.01 0.53 -4.88 120.40 124.77 2d7g s VAL 46 Ca -0.07 1.04 -0.10 0.00 0.00 0.00 0.00 61.98 62.85 2d7g s VAL 46 Cb -0.14 -3.67 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 2d7g s VAL 46 CO -0.01 -0.05 0.37 0.58 0.00 0.00 0.00 175.10 175.99 2d7g h VAL 47 N 5.25 0.71 -3.04 2.92 2.07 -1.92 -0.31 116.25 121.93 2d7g h VAL 47 Ca -0.36 -2.33 0.01 0.00 0.82 0.00 0.00 66.70 64.84 2d7g h VAL 47 Cb 1.16 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 2d7g h VAL 47 CO 0.94 0.79 0.24 -0.94 0.02 0.00 0.00 177.57 178.61 2d7g s SER 48 N -7.03 -0.07 -0.18 0.57 1.04 -1.26 -4.69 113.70 102.07 2d7g s SER 48 Ca -0.23 -0.95 -0.05 0.00 0.48 0.00 0.00 55.95 55.20 2d7g s SER 48 Cb 0.06 0.80 0.09 0.00 0.10 0.00 0.00 66.02 67.07 2d7g s SER 48 CO 0.74 -1.54 0.32 -0.69 0.98 0.00 0.00 173.24 173.05 2d7g s VAL 49 N -2.96 -0.50 0.47 5.02 1.01 -1.26 -4.94 120.40 117.24 2d7g s VAL 49 Ca 0.14 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.25 2d7g s VAL 49 Cb -0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2d7g s VAL 49 CO 0.10 -0.00 0.07 -0.94 0.00 0.00 0.00 175.10 174.33 2d7g s SER 50 N 2.48 3.51 0.00 3.32 1.04 -1.26 -5.04 113.70 117.75 2d7g s SER 50 Ca 0.04 -1.70 0.22 0.00 0.48 0.00 0.00 55.95 55.00 2d7g s SER 50 Cb -0.13 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.60 2d7g s SER 50 CO -0.12 -0.93 1.09 -0.67 0.98 0.00 0.00 173.24 173.59 2d7g n ASP 51 N -1.35 1.04 -4.87 7.02 -0.08 -1.26 -4.95 116.55 112.10 2d7g n ASP 51 Ca -0.13 -0.90 -0.23 0.00 -1.51 0.00 0.00 54.79 52.01 2d7g n ASP 51 Cb 0.66 0.70 -0.03 0.00 2.34 0.00 0.00 41.12 44.79 2d7g n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2d7g s ALA 52 N -2.89 4.15 -0.29 -1.67 0.00 -1.26 -5.11 121.76 114.69 2d7g s ALA 52 Ca 0.11 -1.69 -0.23 0.00 0.00 0.00 0.00 51.96 50.15 2d7g s ALA 52 Cb 0.17 -0.81 0.13 0.00 0.00 0.00 0.00 23.12 22.61 2d7g s ALA 52 CO 0.77 -0.32 1.06 0.45 0.00 0.00 0.00 175.76 177.71 2d7g s SER 53 N -4.17 -0.42 0.55 0.00 0.15 -1.26 -5.02 113.70 103.53 2d7g s SER 53 Ca 0.42 0.78 0.29 0.00 0.70 0.00 0.00 55.95 58.13 2d7g s SER 53 Cb -0.02 0.88 1.46 0.00 -1.71 0.00 0.00 66.02 66.63 2d7g s SER 53 CO 0.25 -0.13 1.93 -0.08 1.20 0.00 0.00 173.24 176.41 2d7g h GLU 54 N 4.52 0.00 -6.18 5.44 4.81 -2.02 -3.42 114.58 117.73 2d7g h GLU 54 Ca -0.28 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.43 2d7g h GLU 54 Cb 1.18 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.51 2d7g h GLU 54 CO 0.13 0.00 -0.52 -0.51 -0.73 0.00 0.00 179.01 177.39 2d7g s LEU 55 N -8.28 3.94 0.15 1.64 1.43 -1.26 -5.06 118.68 111.23 2d7g s LEU 55 Ca -0.05 -0.12 -0.32 0.00 -1.03 0.00 0.00 54.13 52.61 2d7g s LEU 55 Cb 0.19 -2.50 -0.12 0.00 0.03 0.00 0.00 46.19 43.80 2d7g s LEU 55 CO 0.70 0.00 1.78 -2.65 0.23 0.00 0.00 176.35 176.40 2d7g n PRO 56 N -0.88 2.70 0.00 1.29 -0.02 -1.26 -4.83 135.00 132.00 2d7g n PRO 56 Ca -0.08 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2d7g n PRO 56 Cb 0.56 -2.84 0.01 0.00 -0.02 0.00 0.00 33.50 31.21 2d7g n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2d7g n LEU 57 N 4.89 0.01 -1.15 2.45 4.77 -1.26 -0.59 117.00 126.12 2d7g n LEU 57 Ca 0.17 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 2d7g n LEU 57 Cb 0.35 -0.38 0.28 0.00 -2.33 0.00 0.00 43.42 41.34 2d7g n LEU 57 CO 0.65 -0.38 0.74 -0.46 -1.33 0.00 0.00 177.39 176.61 2d7g n ASN 58 N -1.39 3.36 -0.01 -1.43 2.04 -1.26 -4.05 115.26 112.52 2d7g n ASN 58 Ca -0.00 -1.98 0.01 0.00 -0.44 0.00 0.00 54.58 52.17 2d7g n ASN 58 Cb 0.13 -0.38 0.02 0.00 -2.53 0.00 0.00 39.78 37.01 2d7g n ASN 58 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 2d7g n GLU 59 N 1.35 2.79 -3.66 -3.83 1.02 0.24 -5.00 120.64 113.55 2d7g n GLU 59 Ca 0.21 -1.62 -0.38 0.00 -0.02 0.00 0.00 57.16 55.35 2d7g n GLU 59 Cb 0.54 -1.06 -0.12 0.00 -0.02 0.00 0.00 31.44 30.79 2d7g n GLU 59 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d7g s LEU 60 N -1.22 3.91 0.83 -4.62 1.43 -1.26 -5.01 118.68 112.75 2d7g s LEU 60 Ca 0.04 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2d7g s LEU 60 Cb 0.03 -2.01 0.10 0.00 0.03 0.00 0.00 46.19 44.34 2d7g s LEU 60 CO 0.00 -0.12 1.20 -0.54 0.23 0.00 0.00 176.35 177.12 2d7g s LYS 61 N 1.65 1.46 -0.06 1.70 1.02 -1.26 -4.19 119.74 120.07 2d7g s LYS 61 Ca 0.06 1.73 -0.12 0.00 0.02 0.00 0.00 55.97 57.66 2d7g s LYS 61 Cb -0.16 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 2d7g s LYS 61 CO 0.07 -2.34 0.29 0.00 -0.92 0.00 0.00 175.35 172.45 2d7g s ALA 62 N -2.25 3.76 0.36 5.17 0.00 -1.26 -0.61 121.76 126.93 2d7g s ALA 62 Ca 0.72 -0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 2d7g s ALA 62 Cb -0.28 -2.22 -0.12 0.00 0.00 0.00 0.00 23.12 20.50 2d7g s ALA 62 CO 0.52 0.50 1.16 0.28 0.00 0.00 0.00 175.76 178.22 2d7g n VAL 63 N 2.04 2.16 -0.03 0.00 0.31 0.01 -4.66 118.33 118.16 2d7g n VAL 63 Ca -0.16 -0.50 -0.17 0.00 -0.01 0.00 0.00 64.34 63.50 2d7g n VAL 63 Cb 0.53 -1.35 -0.14 0.00 -0.91 0.00 0.00 33.84 31.98 2d7g n VAL 63 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2d7g h VAL 64 N 2.14 1.63 -2.02 2.52 2.07 -1.05 -3.43 116.25 118.11 2d7g h VAL 64 Ca -0.44 -2.41 0.01 0.00 0.82 0.00 0.00 66.70 64.68 2d7g h VAL 64 Cb 1.31 3.25 -0.19 0.00 -1.52 0.00 0.00 31.29 34.14 2d7g h VAL 64 CO 0.60 0.63 0.35 -0.70 0.02 0.00 0.00 177.57 178.48 2d7g s GLU 65 N -2.31 0.91 -0.49 1.57 2.56 -1.21 -4.98 118.70 114.75 2d7g s GLU 65 Ca -0.18 0.06 -0.15 0.00 0.00 0.00 0.00 54.97 54.70 2d7g s GLU 65 Cb -0.01 0.42 0.09 0.00 2.00 0.00 0.00 34.13 36.64 2d7g s GLU 65 CO 0.74 -0.32 0.42 0.54 -0.56 0.00 0.00 175.26 176.08 2d7g s VAL 66 N -1.73 5.17 -0.74 3.70 0.11 -1.26 -0.69 120.40 124.96 2d7g s VAL 66 Ca -0.04 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.79 2d7g s VAL 66 Cb -0.00 -4.16 0.00 0.00 -1.53 0.00 0.00 36.38 30.69 2d7g s VAL 66 CO 0.02 -0.66 0.52 0.18 -3.33 0.00 0.00 175.10 171.83 2d7g n LEU 67 N 5.20 1.26 0.00 2.54 4.77 -0.95 -5.01 117.00 124.81 2d7g n LEU 67 Ca -0.13 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 2d7g n LEU 67 Cb 0.43 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2d7g n LEU 67 CO 0.49 0.26 0.00 -0.67 -1.33 0.00 0.00 177.39 176.14 2d7g n ASP 68 N 0.22 1.76 -4.58 -1.43 -0.08 -1.26 -4.85 116.55 106.32 2d7g n ASP 68 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 2d7g n ASP 68 Cb 0.26 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.67 2d7g n ASP 68 CO 0.00 0.00 0.00 -2.84 0.12 0.00 0.00 177.20 174.48 2d7g s PRO 71 N 4.89 3.73 0.00 -0.67 0.02 -1.26 -4.81 135.00 136.90 2d7g s PRO 71 Ca 0.00 0.27 0.04 0.00 0.02 0.00 0.00 61.00 61.34 2d7g s PRO 71 Cb 0.00 -3.81 0.19 0.00 0.02 0.00 0.00 34.50 30.90 2d7g s PRO 71 CO 0.00 -0.85 1.05 1.55 -0.33 0.00 0.00 177.00 178.42 2d7g n VAL 72 N 5.79 1.38 -4.92 3.83 3.14 -1.17 -4.48 118.33 121.90 2d7g n VAL 72 Ca 0.03 0.34 -0.33 0.00 -2.96 0.00 0.00 64.34 61.43 2d7g n VAL 72 Cb 0.48 -1.27 -0.14 0.00 -1.06 0.00 0.00 33.84 31.85 2d7g n VAL 72 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2d7g s PHE 73 N -2.80 2.69 0.72 1.45 2.99 -1.26 -5.11 117.98 116.66 2d7g s PHE 73 Ca 0.03 -0.35 -0.16 0.00 0.00 0.00 0.00 56.93 56.45 2d7g s PHE 73 Cb 0.03 -1.68 0.03 0.00 0.00 0.00 0.00 43.02 41.40 2d7g s PHE 73 CO 0.07 0.03 1.24 0.99 -0.00 0.00 0.00 175.22 177.55 2d7g s THR 74 N -0.39 2.13 0.55 0.64 2.01 -1.26 -4.72 115.64 114.60 2d7g s THR 74 Ca 0.04 0.07 0.22 0.00 0.31 0.00 0.00 61.69 62.33 2d7g s THR 74 Cb -0.12 -2.75 0.30 0.00 0.01 0.00 0.00 72.50 69.95 2d7g s THR 74 CO 0.02 -0.03 2.19 -0.74 -0.69 0.00 0.00 174.62 175.37 2d7g h HIS 75 N -0.14 0.00 0.00 4.92 2.76 -1.99 0.86 115.15 121.56 2d7g h HIS 75 Ca -0.48 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.68 2d7g h HIS 75 Cb 1.31 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.27 2d7g h HIS 75 CO 0.45 0.01 -0.12 0.66 -1.30 0.00 0.00 177.93 177.63 2d7g h SER 76 N 0.00 0.00 -0.77 3.26 4.64 -1.99 -3.01 113.55 115.68 2d7g h SER 76 Ca -0.00 -0.12 0.18 0.00 -0.47 0.00 0.00 61.79 61.38 2d7g h SER 76 Cb 0.02 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.98 2d7g h SER 76 CO 0.00 0.62 0.04 0.58 -0.87 0.00 0.00 176.83 177.21 2d7g h VAL 77 N -1.00 0.35 0.61 0.95 2.07 -1.87 0.22 116.25 117.58 2d7g h VAL 77 Ca -0.01 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2d7g h VAL 77 Cb 0.22 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2d7g h VAL 77 CO -0.01 0.02 -0.34 -0.25 0.02 0.00 0.00 177.57 177.02 2d7g h TRP 78 N 0.13 -0.90 -1.04 1.57 2.91 -0.98 0.39 115.95 118.01 2d7g h TRP 78 Ca 0.43 -0.01 0.28 0.00 1.13 0.00 0.00 58.89 60.72 2d7g h TRP 78 Cb 0.77 0.31 -0.07 0.00 -0.51 0.00 0.00 29.16 29.66 2d7g h TRP 78 CO -0.39 -0.53 0.71 -0.09 -1.03 0.00 0.00 178.44 177.11 2d7g h ARG 79 N -0.88 0.22 0.36 2.65 2.43 -1.23 -1.54 114.38 116.39 2d7g h ARG 79 Ca -0.08 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 2d7g h ARG 79 Cb 0.70 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2d7g h ARG 79 CO 0.11 0.15 -0.17 1.25 -1.51 0.00 0.00 179.97 179.79 2d7g h LEU 80 N 0.23 -0.41 -0.78 3.80 7.12 -0.02 -2.93 115.31 122.31 2d7g h LEU 80 Ca 0.55 0.01 0.18 0.00 0.13 0.00 0.00 57.88 58.76 2d7g h LEU 80 Cb 1.71 0.11 -0.14 0.00 -0.53 0.00 0.00 40.66 41.81 2d7g h LEU 80 CO -0.16 -0.11 0.03 -0.07 -0.13 0.00 0.00 178.44 177.99 2d7g h LEU 81 N -0.86 -0.33 -0.32 2.25 3.38 0.51 0.15 115.31 120.09 2d7g h LEU 81 Ca -0.05 0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2d7g h LEU 81 Cb 0.37 0.35 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 2d7g h LEU 81 CO 0.08 -0.19 0.08 -0.07 0.09 0.00 0.00 178.44 178.43 2d7g h LEU 82 N 0.11 0.05 0.49 1.67 3.38 -1.41 0.13 115.31 119.73 2d7g h LEU 82 Ca 0.44 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.44 2d7g h LEU 82 Cb 0.78 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2d7g h LEU 82 CO -0.68 0.06 -0.41 -0.25 0.09 0.00 0.00 178.44 177.25 2d7g h TRP 83 N 0.20 -1.11 -0.66 1.13 7.01 -0.65 -0.54 115.95 121.34 2d7g h TRP 83 Ca 0.15 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.22 2d7g h TRP 83 Cb 0.15 0.42 -0.10 0.00 -2.10 0.00 0.00 29.16 27.54 2d7g h TRP 83 CO -0.17 -0.58 -0.57 0.00 -2.79 0.00 0.00 178.44 174.33 2d7g h ALA 84 N -0.58 -0.68 -0.74 2.65 0.00 -0.36 0.86 119.26 120.41 2d7g h ALA 84 Ca -0.05 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2d7g h ALA 84 Cb 0.77 1.23 -0.10 0.00 0.00 0.00 0.00 17.79 19.70 2d7g h ALA 84 CO -0.02 -1.01 0.27 0.00 0.00 0.00 0.00 179.25 178.49 2d7g h ALA 85 N 0.17 1.01 0.05 0.00 0.00 -0.55 -0.08 119.26 119.87 2d7g h ALA 85 Ca 0.11 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2d7g h ALA 85 Cb 0.51 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2d7g h ALA 85 CO -0.74 -0.24 -0.03 0.22 0.00 0.00 0.00 179.25 178.47 2d7g h ASP 86 N 0.40 -0.06 -0.91 0.00 3.58 0.90 0.32 116.42 120.66 2d7g h ASP 86 Ca 0.40 -0.50 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2d7g h ASP 86 Cb 0.62 0.02 -0.04 0.00 1.72 0.00 0.00 39.33 41.64 2d7g h ASP 86 CO -0.42 0.49 0.57 0.22 -2.88 0.00 0.00 179.24 177.23 2d7g h TYR 87 N -0.64 1.18 -0.61 0.28 3.20 0.91 -2.67 116.97 118.61 2d7g h TYR 87 Ca -0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2d7g h TYR 87 Cb 0.56 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2d7g h TYR 87 CO 0.11 0.77 0.00 0.66 -1.64 0.00 0.00 178.16 178.06 2d7g n TYR 88 N -4.37 1.82 -3.64 -3.82 0.53 -0.07 -4.99 117.16 102.62 2d7g n TYR 88 Ca 0.10 -0.68 -0.20 0.00 -1.02 0.00 0.00 57.90 56.10 2d7g n TYR 88 Cb 0.04 -0.40 0.00 0.00 -1.03 0.00 0.00 39.34 37.96 2d7g n TYR 88 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2d7g n HIS 89 N 0.84 -2.23 -4.47 -0.72 8.25 -0.90 -4.99 115.22 110.99 2d7g n HIS 89 Ca 0.27 0.88 -0.22 0.00 -0.26 0.00 0.00 57.72 58.39 2d7g n HIS 89 Cb 1.07 -3.08 -0.14 0.00 1.12 0.00 0.00 29.99 28.96 2d7g n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2d7g s HIS 90 N -3.01 1.36 0.01 4.41 3.76 0.11 -5.03 115.29 116.89 2d7g s HIS 90 Ca 0.02 -0.34 -0.31 0.00 -0.15 0.00 0.00 55.06 54.29 2d7g s HIS 90 Cb -0.01 -0.82 -0.10 0.00 1.11 0.00 0.00 32.58 32.76 2d7g s HIS 90 CO 0.87 0.04 1.96 -2.30 -0.85 0.00 0.00 174.74 174.45 2d7g n PRO 91 N 2.05 2.72 -0.33 8.40 -0.02 -1.26 -4.55 135.00 142.01 2d7g n PRO 91 Ca -0.17 0.99 0.17 0.00 -2.02 0.00 0.00 63.50 62.47 2d7g n PRO 91 Cb 0.54 -2.94 0.36 0.00 -0.02 0.00 0.00 33.50 31.45 2d7g n PRO 91 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2d7g h ILE 92 N 5.62 0.48 -0.44 4.25 -0.00 -1.90 0.37 117.51 125.90 2d7g h ILE 92 Ca -0.50 -0.16 -0.08 0.00 -0.00 0.00 0.00 64.86 64.12 2d7g h ILE 92 Cb 1.25 -0.03 -0.01 0.00 -0.00 0.00 0.00 36.82 38.02 2d7g h ILE 92 CO 0.94 0.09 -0.05 1.23 -0.00 0.00 0.00 178.15 180.36 2d7g h GLY 93 N 0.47 0.87 0.45 8.18 0.00 -1.97 -2.26 103.07 108.81 2d7g h GLY 93 Ca 0.62 -0.68 0.03 0.00 0.00 0.00 0.00 47.33 47.30 2d7g h GLY 93 CO -0.52 0.62 -0.21 -1.80 0.00 0.00 0.00 176.54 174.64 2d7g h ASP 94 N 0.64 -0.63 0.76 0.19 -0.00 -0.70 -1.66 116.42 115.02 2d7g h ASP 94 Ca 0.12 0.09 -0.03 0.00 -0.00 0.00 0.00 57.03 57.21 2d7g h ASP 94 Cb 0.57 0.27 -0.00 0.00 -0.00 0.00 0.00 39.33 40.16 2d7g h ASP 94 CO 0.03 -0.27 -0.46 0.58 -0.00 0.00 0.00 179.24 179.12 2d7g h VAL 95 N -0.32 0.07 -0.44 2.25 2.07 -1.13 -2.43 116.25 116.32 2d7g h VAL 95 Ca 0.07 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.67 2d7g h VAL 95 Cb 0.42 0.07 -0.07 0.00 -1.52 0.00 0.00 31.29 30.18 2d7g h VAL 95 CO -0.22 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.31 2d7g h LEU 96 N -1.15 -0.15 -0.81 2.57 3.38 -1.34 0.17 115.31 117.99 2d7g h LEU 96 Ca -0.10 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2d7g h LEU 96 Cb 0.92 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2d7g h LEU 96 CO 0.10 -0.04 -0.33 -0.26 0.09 0.00 0.00 178.44 178.01 2d7g h PHE 97 N 0.13 0.58 0.00 1.13 -1.00 -1.33 -1.86 116.94 114.60 2d7g h PHE 97 Ca 0.22 -0.15 -0.20 0.00 2.81 0.00 0.00 57.97 60.65 2d7g h PHE 97 Cb 0.31 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.71 2d7g h PHE 97 CO -0.27 0.78 -1.03 0.45 -1.61 0.00 0.00 178.31 176.62 2d7g h HIS 98 N 0.43 0.00 0.00 -0.55 3.86 -1.17 -3.27 115.15 114.45 2d7g h HIS 98 Ca 0.05 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 2d7g h HIS 98 Cb 0.78 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 2d7g h HIS 98 CO 0.03 0.92 -0.32 0.00 0.86 0.00 0.00 177.93 179.41 2d7g h ALA 99 N 1.08 0.95 0.36 2.45 0.00 -0.55 -3.34 119.26 120.22 2d7g h ALA 99 Ca -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2d7g h ALA 99 Cb 1.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2d7g h ALA 99 CO 0.11 0.40 -0.17 1.25 0.00 0.00 0.00 179.25 180.84 2d7g h LEU 100 N 0.00 -0.41 -1.42 0.00 5.85 -1.39 -1.83 115.31 116.10 2d7g h LEU 100 Ca -0.00 -0.09 0.32 0.00 0.84 0.00 0.00 57.88 58.94 2d7g h LEU 100 Cb 0.91 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 2d7g h LEU 100 CO 0.04 -0.15 0.73 -0.65 -0.34 0.00 0.00 178.44 178.07 2d7g h PRO 101 N -0.68 0.27 0.06 5.25 0.11 -1.73 -0.76 132.00 134.53 2d7g h PRO 101 Ca -0.05 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.92 2d7g h PRO 101 Cb 0.48 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.54 2d7g h PRO 101 CO 0.08 0.18 -0.52 0.82 -0.21 0.00 0.00 178.00 178.35 2d7g h ILE 102 N 0.28 1.55 0.00 4.15 5.03 -1.71 -3.54 117.51 123.27 2d7g h ILE 102 Ca 0.65 -2.28 0.00 0.00 -0.12 0.00 0.00 64.86 63.11 2d7g h ILE 102 Cb 1.85 3.00 0.00 0.00 -3.03 0.00 0.00 36.82 38.64 2d7g h ILE 102 CO -0.31 0.64 0.00 0.18 -0.68 0.00 0.00 178.15 177.98