#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9q n THR 2 N 0.00 0.00 -3.84 0.00 -1.04 -1.26 -4.60 114.28 103.54 1e9q n THR 2 Ca 0.00 -0.25 -0.12 0.00 -2.04 0.00 0.00 64.05 61.64 1e9q n THR 2 Cb 0.00 0.43 -0.12 0.00 -1.82 0.00 0.00 70.33 68.82 1e9q n THR 2 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1e9q s SER 3 N -2.97 -0.09 0.21 8.00 0.01 -1.26 -1.05 113.70 116.55 1e9q s SER 3 Ca -0.02 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.32 1e9q s SER 3 Cb 0.07 0.26 -0.03 0.00 0.21 0.00 0.00 66.02 66.53 1e9q s SER 3 CO 0.45 -0.13 0.25 0.00 0.41 0.00 0.00 173.24 174.22 1e9q s ALA 4 N -0.33 0.64 0.08 1.44 0.00 -0.52 -1.77 121.76 121.30 1e9q s ALA 4 Ca -0.04 -1.39 -0.11 0.00 0.00 0.00 0.00 51.96 50.43 1e9q s ALA 4 Cb -0.03 1.24 0.01 0.00 0.00 0.00 0.00 23.12 24.34 1e9q s ALA 4 CO 0.00 -0.67 0.24 0.54 0.00 0.00 0.00 175.76 175.87 1e9q s VAL 5 N -4.10 0.12 -0.16 0.00 0.11 0.11 -1.20 120.40 115.27 1e9q s VAL 5 Ca 0.32 -0.98 -0.09 0.00 -2.93 0.00 0.00 61.98 58.30 1e9q s VAL 5 Cb 0.04 -1.19 0.06 0.00 -1.53 0.00 0.00 36.38 33.76 1e9q s VAL 5 CO 0.10 -0.54 0.40 0.00 -3.33 0.00 0.00 175.10 171.73 1e9q s VAL 7 N 1.27 4.58 -0.18 0.00 1.01 -1.26 -0.95 120.40 124.86 1e9q s VAL 7 Ca -0.09 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.64 1e9q s VAL 7 Cb -0.08 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 1e9q s VAL 7 CO -0.11 0.37 0.44 -0.76 0.00 0.00 0.00 175.10 175.04 1e9q s LEU 8 N 1.20 4.18 0.05 3.92 1.43 0.79 -4.04 118.68 126.21 1e9q s LEU 8 Ca 0.05 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.75 1e9q s LEU 8 Cb -0.14 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1e9q s LEU 8 CO 0.04 -0.08 -0.03 -0.44 0.23 0.00 0.00 176.35 176.06 1e9q s SER 9 N 0.97 0.50 0.00 2.29 0.01 -0.53 -1.91 113.70 115.04 1e9q s SER 9 Ca 0.22 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.56 1e9q s SER 9 Cb -0.15 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1e9q s SER 9 CO 0.09 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1e9q n GLY 10 N 0.36 3.53 0.03 3.44 0.00 -1.25 -1.14 105.19 110.16 1e9q n GLY 10 Ca -0.16 -0.88 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1e9q n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9q n ASP 11 N 0.00 0.61 0.00 1.61 8.00 -1.26 -4.91 116.55 120.60 1e9q n ASP 11 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.35 1e9q n ASP 11 Cb 0.00 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1e9q n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e9q n GLY 12 N 1.41 2.81 0.29 0.44 0.00 -1.26 -5.01 105.19 103.87 1e9q n GLY 12 Ca 0.04 -2.04 0.14 0.00 0.00 0.00 0.00 46.02 44.16 1e9q n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9q n PRO 13 N 0.00 1.39 -2.56 1.61 -0.04 -1.26 -4.90 135.00 129.24 1e9q n PRO 13 Ca 0.00 -0.57 -0.41 0.00 -0.04 0.00 0.00 63.50 62.47 1e9q n PRO 13 Cb 0.00 -1.48 -0.04 0.00 -0.04 0.00 0.00 33.50 31.95 1e9q n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1e9q s VAL 14 N -1.99 4.23 0.21 0.52 1.01 -1.26 -4.53 120.40 118.59 1e9q s VAL 14 Ca 0.41 1.74 -0.11 0.00 0.00 0.00 0.00 61.98 64.02 1e9q s VAL 14 Cb 0.21 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 1e9q s VAL 14 CO 0.34 0.21 0.39 0.00 0.00 0.00 0.00 175.10 176.05 1e9q s GLN 15 N 0.39 1.37 0.00 2.72 -2.07 -0.87 -3.91 119.66 117.28 1e9q s GLN 15 Ca 0.52 -1.20 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 1e9q s GLN 15 Cb -0.27 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1e9q s GLN 15 CO 0.31 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 1e9q n GLY 16 N -0.31 0.40 2.94 2.60 0.00 -0.80 -0.56 105.19 109.46 1e9q n GLY 16 Ca -0.04 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 1e9q n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e9q s THR 17 N -2.00 0.86 -0.06 2.61 2.01 -0.65 -0.15 115.64 118.26 1e9q s THR 17 Ca 0.00 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.77 1e9q s THR 17 Cb 0.00 -0.85 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 1e9q s THR 17 CO 0.00 0.31 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.38 1e9q s ILE 18 N 1.05 2.23 0.11 1.82 -1.09 -0.13 -2.32 121.20 122.87 1e9q s ILE 18 Ca -0.08 -1.00 0.09 0.00 -2.23 0.00 0.00 60.65 57.43 1e9q s ILE 18 Cb -0.14 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 1e9q s ILE 18 CO -0.00 0.57 -0.20 -1.00 -1.23 0.00 0.00 174.94 173.08 1e9q s HIS 19 N -0.17 2.50 -0.02 3.97 3.76 0.12 -0.93 115.29 124.51 1e9q s HIS 19 Ca -0.03 -0.29 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1e9q s HIS 19 Cb -0.14 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.21 1e9q s HIS 19 CO 0.04 0.35 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.12 1e9q s PHE 20 N -1.09 1.03 -0.04 1.40 0.40 -0.34 -0.97 117.98 118.37 1e9q s PHE 20 Ca 0.17 -0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.24 1e9q s PHE 20 Cb -0.10 -0.71 0.03 0.00 0.51 0.00 0.00 43.02 42.75 1e9q s PHE 20 CO 0.08 -0.09 0.07 -2.00 0.70 0.00 0.00 175.22 173.99 1e9q s GLU 21 N 0.08 -0.00 0.09 0.44 2.12 -0.19 -1.44 118.70 119.79 1e9q s GLU 21 Ca -0.02 0.26 -0.31 0.00 0.36 0.00 0.00 54.97 55.27 1e9q s GLU 21 Cb -0.08 -0.25 -0.06 0.00 0.26 0.00 0.00 34.13 34.00 1e9q s GLU 21 CO 0.00 -0.18 1.25 0.00 -0.54 0.00 0.00 175.26 175.79 1e9q s ALA 22 N 1.21 3.45 -0.17 6.30 0.00 -0.22 -0.43 121.76 131.91 1e9q s ALA 22 Ca -0.08 0.93 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 1e9q s ALA 22 Cb -0.13 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.59 1e9q s ALA 22 CO -0.04 -0.48 0.13 0.15 0.00 0.00 0.00 175.76 175.52 1e9q s LYS 23 N 0.97 0.09 6.57 0.00 1.02 -0.35 -4.93 119.74 123.12 1e9q s LYS 23 Ca 0.60 0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.67 1e9q s LYS 23 Cb -0.32 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1e9q s LYS 23 CO 0.30 -0.62 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1e9q n GLY 24 N 5.30 2.54 1.88 -3.33 0.00 -1.26 -1.40 105.19 108.92 1e9q n GLY 24 Ca -0.06 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.48 1e9q n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1e9q n ASP 25 N 3.85 4.05 -4.54 1.61 5.75 -1.26 -4.96 116.55 121.06 1e9q n ASP 25 Ca 0.00 -3.43 -0.25 0.00 -0.01 0.00 0.00 54.79 51.10 1e9q n ASP 25 Cb 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 41.12 39.23 1e9q n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1e9q s THR 26 N -3.13 1.68 -0.07 2.12 -4.23 -0.49 -4.64 115.64 106.87 1e9q s THR 26 Ca 0.53 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 1e9q s THR 26 Cb 0.44 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 1e9q s THR 26 CO 0.10 -0.02 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.26 1e9q s VAL 27 N -2.95 2.38 -0.21 2.29 1.01 -0.12 -1.21 120.40 121.59 1e9q s VAL 27 Ca 0.35 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1e9q s VAL 27 Cb 0.09 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1e9q s VAL 27 CO 0.17 0.57 0.11 -0.69 0.00 0.00 0.00 175.10 175.25 1e9q s VAL 28 N -0.12 5.04 -0.22 2.92 1.01 0.43 -1.46 120.40 128.00 1e9q s VAL 28 Ca -0.04 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 1e9q s VAL 28 Cb -0.14 -3.31 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1e9q s VAL 28 CO 0.04 0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.79 1e9q s VAL 29 N 0.70 3.15 0.23 2.92 1.01 0.99 -1.03 120.40 128.38 1e9q s VAL 29 Ca 0.06 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.47 1e9q s VAL 29 Cb -0.13 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1e9q s VAL 29 CO 0.02 0.42 0.02 0.42 0.00 0.00 0.00 175.10 175.98 1e9q s THR 30 N 1.44 0.87 -5.00 3.92 -4.23 -0.14 -1.12 115.64 111.38 1e9q s THR 30 Ca 0.05 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1e9q s THR 30 Cb -0.14 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1e9q s THR 30 CO -0.05 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.38 1e9q n GLY 31 N -0.41 0.49 3.24 3.99 0.00 -1.04 0.10 105.19 111.56 1e9q n GLY 31 Ca -0.04 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 1e9q n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9q s SER 32 N -4.00 -0.13 -0.04 1.61 1.04 -0.98 -0.43 113.70 110.77 1e9q s SER 32 Ca 0.00 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1e9q s SER 32 Cb 0.00 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.48 1e9q s SER 32 CO 0.00 -0.58 -0.06 -0.63 0.98 0.00 0.00 173.24 172.95 1e9q s ILE 33 N -2.30 0.65 0.38 -1.02 1.01 -0.60 -1.64 121.20 117.67 1e9q s ILE 33 Ca -0.07 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.46 1e9q s ILE 33 Cb -0.02 -0.64 -0.07 0.00 0.01 0.00 0.00 42.46 41.74 1e9q s ILE 33 CO -0.02 0.24 -0.02 0.42 0.00 0.00 0.00 174.94 175.56 1e9q s THR 34 N 0.76 2.13 0.00 2.92 -4.23 0.27 -0.96 115.64 116.53 1e9q s THR 34 Ca -0.11 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1e9q s THR 34 Cb -0.14 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1e9q s THR 34 CO 0.01 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1e9q n GLY 35 N -0.92 0.47 3.92 3.99 0.00 -0.82 -2.06 105.19 109.77 1e9q n GLY 35 Ca -0.05 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 1e9q n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e9q s LEU 36 N 0.00 3.57 0.26 0.99 1.43 -0.86 -4.47 118.68 119.61 1e9q s LEU 36 Ca 0.00 0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 53.54 1e9q s LEU 36 Cb 0.00 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.56 1e9q s LEU 36 CO 0.00 -0.70 0.84 0.42 0.23 0.00 0.00 176.35 177.14 1e9q s THR 37 N -2.72 4.37 0.58 5.49 -4.23 -1.26 -3.95 115.64 113.90 1e9q s THR 37 Ca 0.48 1.61 -0.20 0.00 -1.18 0.00 0.00 61.69 62.40 1e9q s THR 37 Cb -0.10 -3.98 -0.05 0.00 1.34 0.00 0.00 72.50 69.71 1e9q s THR 37 CO 0.42 0.23 1.19 -1.84 -0.54 0.00 0.00 174.62 174.08 1e9q n GLU 38 N 0.78 1.29 0.00 3.99 0.28 -1.26 -4.61 120.64 121.10 1e9q n GLU 38 Ca -0.01 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1e9q n GLU 38 Cb 0.50 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 30.98 1e9q n GLU 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1e9q n GLY 39 N 1.00 0.18 3.84 -1.84 0.00 -0.79 -4.90 105.19 102.69 1e9q n GLY 39 Ca 0.13 -2.31 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 1e9q n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9q s ASP 40 N -4.00 6.85 -0.03 1.61 1.01 -1.26 -0.49 116.67 120.36 1e9q s ASP 40 Ca 0.00 1.30 -0.01 0.00 0.71 0.00 0.00 52.55 54.55 1e9q s ASP 40 Cb 0.00 -2.38 0.03 0.00 1.01 0.00 0.00 42.92 41.58 1e9q s ASP 40 CO 0.00 -0.12 0.06 -1.00 0.21 0.00 0.00 175.17 174.32 1e9q s HIS 41 N -1.83 -0.02 0.58 4.23 3.76 0.17 -3.08 115.29 119.10 1e9q s HIS 41 Ca 0.50 0.23 -0.20 0.00 -0.15 0.00 0.00 55.06 55.44 1e9q s HIS 41 Cb -0.12 -0.21 -0.04 0.00 1.11 0.00 0.00 32.58 33.32 1e9q s HIS 41 CO 0.19 -0.12 1.27 0.20 -0.85 0.00 0.00 174.74 175.43 1e9q s GLY 42 N 1.17 2.82 -0.24 -2.22 0.00 -0.53 -1.37 107.32 106.95 1e9q s GLY 42 Ca -0.08 1.16 -0.03 0.00 0.00 0.00 0.00 44.72 45.77 1e9q s GLY 42 CO -0.04 1.60 0.21 -0.12 0.00 0.00 0.00 173.10 174.76 1e9q s PHE 43 N -1.44 -0.18 0.10 1.90 5.36 -0.05 -0.59 117.98 123.07 1e9q s PHE 43 Ca 0.76 -0.13 0.02 0.00 -0.96 0.00 0.00 56.93 56.62 1e9q s PHE 43 Cb -0.35 -0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 41.78 1e9q s PHE 43 CO 0.39 -0.72 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.35 1e9q s HIS 44 N 2.28 0.89 -0.24 10.12 3.76 -0.88 -2.71 115.29 128.52 1e9q s HIS 44 Ca 0.08 -0.88 -0.18 0.00 -0.15 0.00 0.00 55.06 53.92 1e9q s HIS 44 Cb -0.15 -0.51 -0.03 0.00 1.11 0.00 0.00 32.58 33.00 1e9q s HIS 44 CO -0.22 -0.13 0.53 0.08 -0.85 0.00 0.00 174.74 174.14 1e9q s VAL 45 N -3.45 5.08 0.34 -0.90 1.01 0.03 -0.98 120.40 121.53 1e9q s VAL 45 Ca 0.10 0.94 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1e9q s VAL 45 Cb 0.04 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1e9q s VAL 45 CO -0.04 0.12 0.52 -1.00 0.00 0.00 0.00 175.10 174.69 1e9q s HIS 46 N 2.06 3.36 0.07 5.22 3.76 0.17 -1.31 115.29 128.61 1e9q s HIS 46 Ca 0.23 0.13 -0.25 0.00 -0.15 0.00 0.00 55.06 55.02 1e9q s HIS 46 Cb -0.16 -1.93 -0.16 0.00 1.11 0.00 0.00 32.58 31.44 1e9q s HIS 46 CO 0.09 0.07 1.63 0.37 -0.85 0.00 0.00 174.74 176.05 1e9q h GLN 47 N 0.80 -0.17 -6.09 1.40 4.15 -0.85 -2.80 115.11 111.55 1e9q h GLN 47 Ca -0.49 0.01 -0.65 0.00 0.77 0.00 0.00 58.65 58.29 1e9q h GLN 47 Cb 1.24 0.04 -0.10 0.00 0.21 0.00 0.00 27.48 28.86 1e9q h GLN 47 CO 0.59 -0.05 -0.60 -0.06 -1.93 0.00 0.00 178.83 176.78 1e9q s PHE 48 N -5.84 3.21 -0.58 3.99 0.08 0.04 -4.68 117.98 114.21 1e9q s PHE 48 Ca -0.14 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.02 1e9q s PHE 48 Cb 0.05 -1.69 0.16 0.00 -0.57 0.00 0.00 43.02 40.97 1e9q s PHE 48 CO 0.65 0.52 2.51 0.41 -0.10 0.00 0.00 175.22 179.20 1e9q n GLY 49 N 1.03 4.74 3.18 4.36 0.00 -1.05 -3.78 105.19 113.68 1e9q n GLY 49 Ca -0.12 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 1e9q n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e9q s ASP 50 N -0.14 4.82 -0.25 1.61 -1.08 -1.26 -4.95 116.67 115.41 1e9q s ASP 50 Ca 0.56 -1.19 0.13 0.00 -0.52 0.00 0.00 52.55 51.53 1e9q s ASP 50 Cb 0.40 -1.71 0.64 0.00 -1.46 0.00 0.00 42.92 40.79 1e9q s ASP 50 CO -0.28 -0.24 1.60 -3.20 0.52 0.00 0.00 175.17 173.58 1e9q n ASN 51 N 4.64 4.28 0.21 -0.34 5.15 -1.26 -3.04 115.26 124.90 1e9q n ASN 51 Ca -0.14 -3.18 0.04 0.00 -0.60 0.00 0.00 54.58 50.71 1e9q n ASN 51 Cb 0.44 -0.64 0.44 0.00 -0.53 0.00 0.00 39.78 39.49 1e9q n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1e9q h THR 52 N 2.29 1.15 -1.52 -0.44 1.35 -1.92 -2.99 112.91 110.82 1e9q h THR 52 Ca 0.12 -0.97 -0.58 0.00 -0.55 0.00 0.00 66.41 64.42 1e9q h THR 52 Cb 1.85 1.53 -0.42 0.00 -1.73 0.00 0.00 68.15 69.38 1e9q h THR 52 CO 0.45 0.27 -0.74 0.00 -0.25 0.00 0.00 175.52 175.26 1e9q n GLN 53 N -4.13 3.38 0.00 4.72 6.02 -1.26 -5.05 117.38 121.05 1e9q n GLN 53 Ca -0.02 -4.49 0.00 0.00 -0.01 0.00 0.00 57.00 52.48 1e9q n GLN 53 Cb 0.33 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.37 1e9q n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1e9q n GLY 54 N -0.47 2.90 0.11 1.08 0.00 -1.13 -2.24 105.19 105.45 1e9q n GLY 54 Ca 0.38 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1e9q n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9q h THR 56 N 0.00 1.17 -0.00 0.00 2.02 -1.79 -2.77 112.91 111.53 1e9q h THR 56 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1e9q h THR 56 Cb 0.80 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1e9q h THR 56 CO 0.00 0.23 -0.01 -1.54 0.37 0.00 0.00 175.52 174.57 1e9q n SER 57 N -4.28 0.23 0.25 4.18 3.41 -1.23 -3.23 113.62 112.95 1e9q n SER 57 Ca -0.01 -0.88 0.17 0.00 -0.26 0.00 0.00 58.87 57.89 1e9q n SER 57 Cb 0.26 -0.05 0.76 0.00 -0.26 0.00 0.00 64.21 64.92 1e9q n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9q h ALA 58 N 3.91 1.00 -0.18 7.33 0.00 -1.40 -3.40 119.26 126.51 1e9q h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1e9q h ALA 58 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1e9q h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1e9q n GLY 59 N -0.35 -1.69 2.29 0.00 0.00 -1.20 -0.78 105.19 103.47 1e9q n GLY 59 Ca -0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1e9q n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9q n PRO 60 N -0.14 -1.12 -2.00 1.61 -0.04 -1.26 -4.61 135.00 127.44 1e9q n PRO 60 Ca 0.00 -1.21 -0.39 0.00 -0.04 0.00 0.00 63.50 61.87 1e9q n PRO 60 Cb 0.00 -0.87 0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1e9q n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1e9q s HIS 61 N -2.64 2.66 -0.05 0.54 3.76 -1.26 -0.73 115.29 117.57 1e9q s HIS 61 Ca 0.45 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.47 1e9q s HIS 61 Cb -0.02 -3.68 -0.07 0.00 1.11 0.00 0.00 32.58 29.92 1e9q s HIS 61 CO 0.32 -2.28 1.90 0.12 -0.85 0.00 0.00 174.74 173.95 1e9q s PHE 62 N -1.32 1.50 -0.42 1.40 5.36 -0.43 -4.52 117.98 119.55 1e9q s PHE 62 Ca 0.62 -0.07 0.07 0.00 -0.96 0.00 0.00 56.93 56.59 1e9q s PHE 62 Cb -0.38 -4.10 0.23 0.00 -0.34 0.00 0.00 43.02 38.44 1e9q s PHE 62 CO 0.47 -4.71 0.58 -1.71 -1.46 0.00 0.00 175.22 168.39 1e9q n ASN 63 N 8.16 -0.81 0.26 6.13 5.15 -1.26 -1.65 115.26 131.24 1e9q n ASN 63 Ca 0.21 -2.79 0.15 0.00 -0.60 0.00 0.00 54.58 51.55 1e9q n ASN 63 Cb 0.42 0.05 0.64 0.00 -0.53 0.00 0.00 39.78 40.36 1e9q n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1e9q h PRO 64 N 4.31 0.00 -0.65 1.20 0.13 -1.97 -2.50 132.00 132.52 1e9q h PRO 64 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1e9q h PRO 64 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1e9q h PRO 64 CO 0.39 0.08 0.00 1.28 -0.23 0.00 0.00 178.00 179.52 1e9q n LEU 65 N -3.22 3.68 -3.86 1.56 4.77 -1.26 -4.99 117.00 113.68 1e9q n LEU 65 Ca 0.00 -1.85 -0.31 0.00 -0.03 0.00 0.00 56.01 53.82 1e9q n LEU 65 Cb 0.33 -0.46 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1e9q n LEU 65 CO 0.29 0.83 -0.16 -1.20 -1.33 0.00 0.00 177.39 175.82 1e9q n SER 66 N 1.28 -3.02 -4.88 -1.43 7.64 -0.94 -4.99 113.62 107.29 1e9q n SER 66 Ca 0.22 -1.06 -0.25 0.00 1.01 0.00 0.00 58.87 58.79 1e9q n SER 66 Cb 0.62 -2.95 -0.02 0.00 -1.01 0.00 0.00 64.21 60.85 1e9q n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1e9q s LYS 67 N -6.45 2.31 0.66 1.43 1.02 -1.26 -5.13 119.74 112.31 1e9q s LYS 67 Ca 0.28 -1.89 -0.06 0.00 0.02 0.00 0.00 55.97 54.32 1e9q s LYS 67 Cb -0.11 -2.16 0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1e9q s LYS 67 CO 0.89 -0.48 0.97 0.15 -0.92 0.00 0.00 175.35 175.96 1e9q s LYS 68 N -4.22 2.44 0.37 1.68 1.02 -1.26 -4.74 119.74 115.03 1e9q s LYS 68 Ca 0.38 -0.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.92 1e9q s LYS 68 Cb -0.02 -2.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.99 1e9q s LYS 68 CO 0.23 -1.05 1.15 -1.58 -0.92 0.00 0.00 175.35 173.18 1e9q s HIS 69 N -3.15 3.19 0.00 3.18 5.65 -0.24 -3.17 115.29 120.75 1e9q s HIS 69 Ca 0.58 1.58 0.00 0.00 0.25 0.00 0.00 55.06 57.47 1e9q s HIS 69 Cb -0.11 -3.36 0.00 0.00 -1.18 0.00 0.00 32.58 27.93 1e9q s HIS 69 CO 0.45 -1.12 0.00 0.41 -0.65 0.00 0.00 174.74 173.83 1e9q n GLY 70 N 0.72 2.88 3.97 1.59 0.00 -1.24 -4.43 105.19 108.68 1e9q n GLY 70 Ca 0.03 -1.18 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 1e9q n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e9q s GLY 71 N -0.81 1.75 0.56 -0.02 0.00 -1.22 -4.69 107.32 102.89 1e9q s GLY 71 Ca 0.00 -1.27 0.26 0.00 0.00 0.00 0.00 44.72 43.71 1e9q s GLY 71 CO 0.00 -1.03 2.20 -0.56 0.00 0.00 0.00 173.10 173.70 1e9q h PRO 72 N 0.24 0.00 -0.01 2.90 0.13 -1.88 -1.51 132.00 131.86 1e9q h PRO 72 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1e9q h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1e9q h PRO 72 CO 0.53 0.03 -0.06 1.63 -0.23 0.00 0.00 178.00 179.91 1e9q n LYS 73 N -3.96 1.41 -3.01 0.86 5.02 -1.26 -4.91 118.16 112.31 1e9q n LYS 73 Ca -0.03 -0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 55.15 1e9q n LYS 73 Cb 0.12 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 1e9q n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1e9q s ASP 74 N -2.12 6.94 0.15 4.39 1.01 -0.57 -4.98 116.67 121.49 1e9q s ASP 74 Ca 0.35 1.48 -0.08 0.00 0.71 0.00 0.00 52.55 55.02 1e9q s ASP 74 Cb 0.21 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.67 1e9q s ASP 74 CO 0.38 -0.18 1.42 -0.08 0.21 0.00 0.00 175.17 176.92 1e9q h GLU 75 N 2.50 0.69 -4.33 8.23 4.81 -1.91 -3.39 114.58 121.18 1e9q h GLU 75 Ca -0.48 -0.48 -0.74 0.00 -0.13 0.00 0.00 59.36 57.53 1e9q h GLU 75 Cb 1.18 0.07 -0.22 0.00 0.63 0.00 0.00 28.75 30.41 1e9q h GLU 75 CO 0.64 1.10 -0.06 -2.00 -0.73 0.00 0.00 179.01 177.97 1e9q s GLU 76 N -3.92 3.05 0.20 1.92 2.56 -1.26 -4.98 118.70 116.26 1e9q s GLU 76 Ca -0.09 -1.59 -0.17 0.00 0.00 0.00 0.00 54.97 53.12 1e9q s GLU 76 Cb 0.10 -4.30 0.03 0.00 2.00 0.00 0.00 34.13 31.96 1e9q s GLU 76 CO 0.87 -1.42 0.52 -0.98 -0.56 0.00 0.00 175.26 173.69 1e9q s ARG 77 N 1.99 1.38 0.55 4.30 1.70 -1.19 -3.66 118.95 124.03 1e9q s ARG 77 Ca 0.07 -0.89 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 1e9q s ARG 77 Cb -0.26 0.52 -0.06 0.00 -0.57 0.00 0.00 34.95 34.57 1e9q s ARG 77 CO 0.04 -0.59 1.01 -1.01 -1.08 0.00 0.00 175.30 173.67 1e9q s HIS 78 N -3.88 3.39 0.26 5.89 3.76 -1.21 -4.70 115.29 118.80 1e9q s HIS 78 Ca 0.10 1.44 -0.05 0.00 -0.15 0.00 0.00 55.06 56.41 1e9q s HIS 78 Cb -0.01 -2.82 0.32 0.00 1.11 0.00 0.00 32.58 31.18 1e9q s HIS 78 CO -0.02 -0.57 1.92 0.28 -0.85 0.00 0.00 174.74 175.50 1e9q h VAL 79 N 0.58 1.21 0.00 -0.90 2.07 -1.87 -1.80 116.25 115.54 1e9q h VAL 79 Ca -0.46 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1e9q h VAL 79 Cb 1.19 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1e9q h VAL 79 CO 0.61 0.24 0.00 0.61 0.02 0.00 0.00 177.57 179.04 1e9q n GLY 80 N -1.38 -0.68 3.54 2.17 0.00 -0.66 -4.47 105.19 103.71 1e9q n GLY 80 Ca 0.12 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1e9q n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9q s ASP 81 N -1.85 6.29 -0.10 1.61 1.01 -0.68 -0.79 116.67 122.16 1e9q s ASP 81 Ca 0.25 -0.90 0.16 0.00 0.71 0.00 0.00 52.55 52.78 1e9q s ASP 81 Cb 0.12 -2.54 0.57 0.00 1.01 0.00 0.00 42.92 42.08 1e9q s ASP 81 CO 0.20 -1.65 1.49 0.18 0.21 0.00 0.00 175.17 175.59 1e9q n LEU 82 N 8.88 4.10 0.00 1.23 4.77 -1.10 -3.70 117.00 131.18 1e9q n LEU 82 Ca 0.12 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.66 1e9q n LEU 82 Cb 0.49 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1e9q n LEU 82 CO 0.68 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 1e9q n GLY 83 N 0.63 0.58 3.35 -0.72 0.00 -1.22 -4.82 105.19 102.98 1e9q n GLY 83 Ca 0.21 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 1e9q n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1e9q s ASN 84 N -4.00 3.00 0.17 1.61 0.01 -1.26 -0.87 114.94 113.60 1e9q s ASN 84 Ca 0.00 -0.74 0.07 0.00 -0.71 0.00 0.00 52.86 51.47 1e9q s ASN 84 Cb 0.00 -0.19 -0.04 0.00 0.41 0.00 0.00 41.25 41.43 1e9q s ASN 84 CO 0.00 0.11 0.04 0.68 -1.51 0.00 0.00 177.10 176.42 1e9q s VAL 85 N -1.22 3.93 -0.17 1.60 -7.23 -0.47 -4.90 120.40 111.94 1e9q s VAL 85 Ca 0.12 -1.33 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1e9q s VAL 85 Cb -0.10 -2.98 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1e9q s VAL 85 CO 0.06 -0.11 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.66 1e9q s THR 86 N -1.73 2.20 0.14 5.32 2.01 -1.26 -0.66 115.64 121.66 1e9q s THR 86 Ca 0.28 -0.91 -0.10 0.00 0.31 0.00 0.00 61.69 61.27 1e9q s THR 86 Cb -0.10 -1.91 -0.06 0.00 0.01 0.00 0.00 72.50 70.44 1e9q s THR 86 CO 0.20 0.53 0.46 0.00 -0.69 0.00 0.00 174.62 175.12 1e9q s ALA 87 N 1.08 3.67 0.74 7.40 0.00 0.36 -4.20 121.76 130.81 1e9q s ALA 87 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 1e9q s ALA 87 Cb -0.14 -2.34 0.05 0.00 0.00 0.00 0.00 23.12 20.68 1e9q s ALA 87 CO -0.07 0.54 0.29 -0.40 0.00 0.00 0.00 175.76 176.12 1e9q n ASP 88 N 0.52 0.17 0.29 0.00 5.68 -0.20 -1.88 116.55 121.13 1e9q n ASP 88 Ca -0.05 -1.20 0.15 0.00 -0.50 0.00 0.00 54.79 53.20 1e9q n ASP 88 Cb 0.52 -0.20 0.88 0.00 -1.14 0.00 0.00 41.12 41.17 1e9q n ASP 88 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1e9q h SER 89 N -0.29 0.00 -0.20 -1.12 4.64 -1.97 -0.77 113.55 113.84 1e9q h SER 89 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1e9q h SER 89 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1e9q h SER 89 CO 0.08 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.67 1e9q n ASN 90 N -3.72 1.53 0.00 4.97 3.02 -1.26 -4.80 115.26 115.01 1e9q n ASN 90 Ca -0.03 -1.77 0.00 0.00 -0.03 0.00 0.00 54.58 52.75 1e9q n ASN 90 Cb 0.13 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1e9q n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e9q n GLY 91 N 1.06 0.57 3.50 7.41 0.00 -0.30 -4.72 105.19 112.71 1e9q n GLY 91 Ca 0.14 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1e9q n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e9q s VAL 92 N -2.00 4.11 -0.19 1.61 1.01 -1.26 -1.95 120.40 121.74 1e9q s VAL 92 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1e9q s VAL 92 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1e9q s VAL 92 CO 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 175.10 175.45 1e9q s ALA 93 N 0.72 2.67 -0.19 5.51 0.00 -0.14 -1.03 121.76 129.30 1e9q s ALA 93 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.72 1e9q s ALA 93 Cb -0.14 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 1e9q s ALA 93 CO 0.02 -0.21 0.37 0.42 0.00 0.00 0.00 175.76 176.36 1e9q s ILE 94 N 1.10 5.23 -0.23 0.00 -1.09 -1.26 -1.55 121.20 123.40 1e9q s ILE 94 Ca 0.01 0.65 -0.11 0.00 -2.23 0.00 0.00 60.65 58.96 1e9q s ILE 94 Cb -0.15 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1e9q s ILE 94 CO -0.02 0.28 0.20 -0.69 -1.23 0.00 0.00 174.94 173.48 1e9q s VAL 95 N 1.13 5.33 -0.43 2.92 1.01 0.43 -4.76 120.40 126.04 1e9q s VAL 95 Ca 0.18 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1e9q s VAL 95 Cb -0.14 -3.54 0.17 0.00 0.00 0.00 0.00 36.38 32.87 1e9q s VAL 95 CO 0.07 0.34 0.50 -0.62 0.00 0.00 0.00 175.10 175.39 1e9q s ASP 96 N 0.98 0.21 -0.00 3.32 2.15 -1.23 -2.49 116.67 119.60 1e9q s ASP 96 Ca 0.10 -2.05 0.07 0.00 0.43 0.00 0.00 52.55 51.10 1e9q s ASP 96 Cb -0.13 0.78 -0.02 0.00 -0.30 0.00 0.00 42.92 43.25 1e9q s ASP 96 CO 0.04 -0.16 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.04 1e9q s ILE 97 N 0.85 1.74 -0.13 4.11 1.01 -0.28 -4.99 121.20 123.51 1e9q s ILE 97 Ca 0.26 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1e9q s ILE 97 Cb -0.04 -1.46 0.01 0.00 0.01 0.00 0.00 42.46 40.98 1e9q s ILE 97 CO -0.09 0.43 -0.21 -0.69 0.00 0.00 0.00 174.94 174.37 1e9q s VAL 98 N -0.58 2.17 -0.02 2.92 1.01 -1.26 -0.00 120.40 124.63 1e9q s VAL 98 Ca 0.08 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1e9q s VAL 98 Cb -0.09 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1e9q s VAL 98 CO -0.00 0.55 -0.03 -0.62 0.00 0.00 0.00 175.10 175.00 1e9q s ASP 99 N 0.68 0.49 0.00 3.32 2.15 -0.53 -4.97 116.67 117.81 1e9q s ASP 99 Ca -0.10 -0.06 0.23 0.00 0.43 0.00 0.00 52.55 53.05 1e9q s ASP 99 Cb -0.16 -0.15 0.19 0.00 -0.30 0.00 0.00 42.92 42.49 1e9q s ASP 99 CO 0.01 -0.01 1.19 -0.81 -0.17 0.00 0.00 175.17 175.38 1e9q n PRO 100 N 3.49 0.02 -0.07 4.34 -0.04 -1.26 -0.95 135.00 140.53 1e9q n PRO 100 Ca -0.19 -0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.04 1e9q n PRO 100 Cb 0.55 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 1e9q n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1e9q n LEU 101 N -1.48 2.23 -4.75 1.53 7.99 -1.26 -4.80 117.00 116.46 1e9q n LEU 101 Ca 0.05 0.30 -0.34 0.00 -0.01 0.00 0.00 56.01 56.01 1e9q n LEU 101 Cb 0.33 -1.01 0.07 0.00 -0.11 0.00 0.00 43.42 42.70 1e9q n LEU 101 CO 0.38 0.56 0.78 0.27 -1.51 0.00 0.00 177.39 177.87 1e9q s ILE 102 N -2.46 2.72 0.10 -0.08 -4.36 -1.26 -4.91 121.20 110.96 1e9q s ILE 102 Ca -0.28 0.36 -0.01 0.00 -0.26 0.00 0.00 60.65 60.46 1e9q s ILE 102 Cb 0.07 -2.93 -0.04 0.00 1.25 0.00 0.00 42.46 40.81 1e9q s ILE 102 CO 0.65 -0.18 0.04 -0.55 0.24 0.00 0.00 174.94 175.13 1e9q s SER 103 N -2.18 0.36 0.00 4.36 0.15 -1.18 -4.44 113.70 110.77 1e9q s SER 103 Ca 0.72 -1.12 0.13 0.00 0.70 0.00 0.00 55.95 56.38 1e9q s SER 103 Cb -0.26 0.27 0.20 0.00 -1.71 0.00 0.00 66.02 64.52 1e9q s SER 103 CO 0.42 -0.69 1.07 0.18 1.20 0.00 0.00 173.24 175.42 1e9q n LEU 104 N -0.03 2.50 -3.84 3.45 4.77 -1.26 -1.44 117.00 121.15 1e9q n LEU 104 Ca -0.09 -1.36 -0.10 0.00 -0.03 0.00 0.00 56.01 54.44 1e9q n LEU 104 Cb 0.63 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1e9q n LEU 104 CO 0.29 0.53 0.06 -0.94 -1.33 0.00 0.00 177.39 176.01 1e9q s SER 105 N -1.09 -0.05 0.03 -1.43 1.04 -1.26 -3.64 113.70 107.29 1e9q s SER 105 Ca 0.20 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1e9q s SER 105 Cb 0.13 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1e9q s SER 105 CO 0.18 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.12 1e9q n GLY 106 N -0.22 -1.50 0.37 7.32 0.00 -1.26 -3.84 105.19 106.06 1e9q n GLY 106 Ca -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 1e9q n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1e9q h GLU 107 N 0.00 1.27 -0.67 1.61 5.08 -2.00 -2.31 114.58 117.55 1e9q h GLU 107 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1e9q h GLU 107 Cb 0.00 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1e9q h GLU 107 CO 0.00 0.84 0.00 0.66 -1.00 0.00 0.00 179.01 179.51 1e9q n TYR 108 N -4.41 1.19 -1.70 4.33 4.01 -1.26 -4.97 117.16 114.35 1e9q n TYR 108 Ca 0.11 -0.43 -0.43 0.00 -0.16 0.00 0.00 57.90 56.99 1e9q n TYR 108 Cb 0.01 -0.28 -0.01 0.00 -0.31 0.00 0.00 39.34 38.75 1e9q n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1e9q n SER 109 N 0.51 2.82 -0.82 7.72 2.88 -0.87 -3.13 113.62 122.73 1e9q n SER 109 Ca 0.17 1.20 0.10 0.00 -1.33 0.00 0.00 58.87 59.01 1e9q n SER 109 Cb 0.76 -1.48 0.11 0.00 -0.75 0.00 0.00 64.21 62.85 1e9q n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1e9q n ILE 110 N 0.65 0.16 -2.02 2.46 -5.35 -0.52 -4.91 119.36 109.82 1e9q n ILE 110 Ca 0.06 -0.58 -0.41 0.00 -0.27 0.00 0.00 62.75 61.55 1e9q n ILE 110 Cb 0.35 1.26 -0.02 0.00 -1.74 0.00 0.00 39.64 39.49 1e9q n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1e9q s ILE 111 N -1.51 2.62 0.00 7.28 -1.09 -1.26 -1.25 121.20 125.99 1e9q s ILE 111 Ca 0.25 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.23 1e9q s ILE 111 Cb 0.17 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1e9q s ILE 111 CO 0.25 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1e9q n GLY 112 N 1.71 1.01 0.63 6.18 0.00 0.12 -5.00 105.19 109.84 1e9q n GLY 112 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1e9q n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9q n ARG 113 N -2.00 1.11 -5.09 1.61 1.74 -0.38 -2.52 116.66 111.14 1e9q n ARG 113 Ca 0.00 -0.53 -0.29 0.00 -0.77 0.00 0.00 57.85 56.26 1e9q n ARG 113 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 1e9q n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1e9q s THR 114 N 0.06 1.81 -0.02 0.55 2.01 -1.06 -0.89 115.64 118.11 1e9q s THR 114 Ca 0.08 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 1e9q s THR 114 Cb -0.01 -1.54 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 1e9q s THR 114 CO 0.05 0.51 0.42 -0.04 -0.69 0.00 0.00 174.62 174.87 1e9q s MET 115 N 0.01 4.00 -0.02 4.92 -1.94 -0.74 0.43 119.30 125.96 1e9q s MET 115 Ca -0.06 0.43 0.03 0.00 -1.71 0.00 0.00 55.69 54.37 1e9q s MET 115 Cb -0.14 -3.26 -0.00 0.00 2.01 0.00 0.00 34.83 33.45 1e9q s MET 115 CO 0.04 0.60 -0.10 0.08 -0.01 0.00 0.00 175.02 175.63 1e9q s VAL 116 N -0.81 0.85 -0.14 -6.03 1.01 -0.15 -2.32 120.40 112.82 1e9q s VAL 116 Ca 0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1e9q s VAL 116 Cb -0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1e9q s VAL 116 CO 0.13 0.26 -0.08 0.54 0.00 0.00 0.00 175.10 175.95 1e9q s VAL 117 N 0.03 3.52 0.32 2.92 0.11 -0.81 -2.06 120.40 124.43 1e9q s VAL 117 Ca -0.01 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.61 1e9q s VAL 117 Cb -0.07 -2.51 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 1e9q s VAL 117 CO 0.00 0.51 0.40 -1.00 -3.33 0.00 0.00 175.10 171.68 1e9q s HIS 118 N 0.33 3.11 0.14 1.54 3.76 0.24 -1.00 115.29 123.41 1e9q s HIS 118 Ca -0.07 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.46 1e9q s HIS 118 Cb -0.15 -1.87 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 1e9q s HIS 118 CO 0.04 0.12 1.78 1.49 -0.85 0.00 0.00 174.74 177.32 1e9q h GLU 119 N 1.04 0.45 -5.82 1.40 4.81 -0.55 -3.36 114.58 112.54 1e9q h GLU 119 Ca -0.46 -0.03 -0.58 0.00 -0.13 0.00 0.00 59.36 58.15 1e9q h GLU 119 Cb 1.25 -0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 1e9q h GLU 119 CO 0.55 0.32 -0.51 0.15 -0.73 0.00 0.00 179.01 178.80 1e9q s LYS 120 N -6.07 2.18 0.60 1.92 1.02 -0.22 -4.91 119.74 114.27 1e9q s LYS 120 Ca -0.13 -1.93 -0.18 0.00 0.02 0.00 0.00 55.97 53.75 1e9q s LYS 120 Cb 0.10 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1e9q s LYS 120 CO 0.72 -0.14 1.20 -2.14 -0.92 0.00 0.00 175.35 174.06 1e9q s PRO 121 N -3.88 2.94 -0.17 -1.68 0.02 -1.18 -1.45 135.00 129.61 1e9q s PRO 121 Ca 0.38 1.78 -0.22 0.00 0.02 0.00 0.00 61.00 62.97 1e9q s PRO 121 Cb 0.05 -1.93 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 1e9q s PRO 121 CO 0.21 -1.22 0.65 0.34 -0.33 0.00 0.00 177.00 176.65 1e9q s ASP 122 N -1.68 6.76 0.00 2.53 -1.08 -1.26 -3.96 116.67 117.98 1e9q s ASP 122 Ca 0.76 0.93 0.17 0.00 -0.52 0.00 0.00 52.55 53.88 1e9q s ASP 122 Cb -0.29 -2.37 0.77 0.00 -1.46 0.00 0.00 42.92 39.58 1e9q s ASP 122 CO 0.34 -0.24 1.53 -0.90 0.52 0.00 0.00 175.17 176.41 1e9q n ASP 123 N 4.78 0.79 -1.79 -0.34 5.68 0.82 -4.90 116.55 121.58 1e9q n ASP 123 Ca -0.01 -1.65 -0.17 0.00 -0.50 0.00 0.00 54.79 52.46 1e9q n ASP 123 Cb 0.50 -0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.39 1e9q n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1e9q n LEU 124 N -0.22 -1.64 -0.09 -2.12 4.77 -1.26 -2.25 117.00 114.19 1e9q n LEU 124 Ca 0.13 0.11 -0.01 0.00 -0.03 0.00 0.00 56.01 56.21 1e9q n LEU 124 Cb 0.18 -2.51 -0.01 0.00 -2.33 0.00 0.00 43.42 38.75 1e9q n LEU 124 CO 0.10 -0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 176.37 1e9q n GLY 125 N -0.97 0.50 0.43 -0.72 0.00 -1.25 -3.37 105.19 99.83 1e9q n GLY 125 Ca -0.20 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.39 1e9q n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9q n ARG 126 N -2.75 1.52 0.14 1.61 1.74 -0.95 -4.70 116.66 113.26 1e9q n ARG 126 Ca -0.01 -3.02 0.13 0.00 -0.77 0.00 0.00 57.85 54.18 1e9q n ARG 126 Cb 0.07 -1.59 0.37 0.00 -1.02 0.00 0.00 32.46 30.29 1e9q n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1e9q h GLY 127 N 0.64 0.00 0.00 -0.13 0.00 -1.90 -3.47 103.07 98.21 1e9q h GLY 127 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1e9q h GLY 127 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1e9q n GLY 128 N 1.14 2.93 3.87 4.60 0.00 -1.26 -5.00 105.19 111.46 1e9q n GLY 128 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1e9q n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9q s ASN 129 N -1.35 4.61 0.18 1.61 2.20 -1.26 -5.05 114.94 115.89 1e9q s ASN 129 Ca 0.00 -1.20 -0.02 0.00 -0.94 0.00 0.00 52.86 50.70 1e9q s ASN 129 Cb 0.00 0.20 0.08 0.00 -2.00 0.00 0.00 41.25 39.53 1e9q s ASN 129 CO 0.00 -0.96 1.46 -0.08 -2.94 0.00 0.00 177.10 174.58 1e9q h GLU 130 N 0.91 0.45 0.00 3.55 4.81 -2.01 -2.99 114.58 119.31 1e9q h GLU 130 Ca -0.39 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 58.48 1e9q h GLU 130 Cb 1.29 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 1e9q h GLU 130 CO 0.60 0.96 -0.13 1.49 -0.73 0.00 0.00 179.01 181.20 1e9q h GLU 131 N 0.33 0.00 -0.84 1.92 4.57 -2.00 -2.27 114.58 116.28 1e9q h GLU 131 Ca -0.02 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1e9q h GLU 131 Cb 1.22 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.77 1e9q h GLU 131 CO 0.12 0.13 0.55 1.03 -1.18 0.00 0.00 179.01 179.67 1e9q h SER 132 N 0.00 0.92 -0.08 1.04 0.87 -1.87 -0.22 113.55 114.21 1e9q h SER 132 Ca -0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1e9q h SER 132 Cb 0.26 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1e9q h SER 132 CO 0.02 0.64 0.00 1.07 -0.53 0.00 0.00 176.83 178.03 1e9q n THR 133 N -4.44 0.10 -0.06 2.23 5.66 -0.86 -1.99 114.28 114.92 1e9q n THR 133 Ca 0.11 -0.23 -0.13 0.00 -3.05 0.00 0.00 64.05 60.74 1e9q n THR 133 Cb 0.09 0.23 -0.04 0.00 -1.55 0.00 0.00 70.33 69.05 1e9q n THR 133 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1e9q n LYS 134 N -0.01 0.31 0.00 1.09 4.76 -0.77 -1.08 118.16 122.45 1e9q n LYS 134 Ca 0.17 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 1e9q n LYS 134 Cb 0.28 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1e9q n LYS 134 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1e9q n THR 135 N -3.76 0.00 -1.01 -0.18 -2.24 -0.16 -4.62 114.28 102.31 1e9q n THR 135 Ca -0.23 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1e9q n THR 135 Cb 0.59 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.86 1e9q n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e9q n GLY 136 N 0.64 0.46 2.84 3.38 0.00 -0.84 -3.30 105.19 108.36 1e9q n GLY 136 Ca 0.00 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 1e9q n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e9q n ASN 137 N 0.08 -5.96 0.02 1.61 3.02 -1.25 -0.13 115.26 112.65 1e9q n ASN 137 Ca -0.00 -0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.46 1e9q n ASN 137 Cb 0.05 -4.82 0.56 0.00 -0.61 0.00 0.00 39.78 34.96 1e9q n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e9q n ALA 138 N -3.15 2.25 -0.28 5.41 0.00 -1.21 -4.72 120.51 118.81 1e9q n ALA 138 Ca -0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1e9q n ALA 138 Cb 0.63 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1e9q n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9q n GLY 139 N 1.31 -0.44 3.57 0.00 0.00 -1.26 -1.05 105.19 107.32 1e9q n GLY 139 Ca 0.06 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.68 1e9q n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e9q n SER 140 N -0.51 -0.54 -4.41 1.61 7.64 -1.26 -4.59 113.62 111.55 1e9q n SER 140 Ca 0.00 0.41 -0.44 0.00 1.01 0.00 0.00 58.87 59.85 1e9q n SER 140 Cb 0.00 -1.37 -0.08 0.00 -1.01 0.00 0.00 64.21 61.75 1e9q n SER 140 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1e9q s ARG 141 N -4.17 3.02 0.15 1.43 0.52 -1.26 -0.22 118.95 118.41 1e9q s ARG 141 Ca 0.64 -1.19 -0.08 0.00 -0.52 0.00 0.00 55.73 54.59 1e9q s ARG 141 Cb -0.23 -4.10 -0.02 0.00 0.52 0.00 0.00 34.95 31.11 1e9q s ARG 141 CO 0.61 -1.04 1.41 -0.07 0.02 0.00 0.00 175.30 176.22 1e9q h LEU 142 N 8.99 0.78 -7.15 2.53 3.38 -1.37 -3.48 115.31 118.99 1e9q h LEU 142 Ca -0.28 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.19 1e9q h LEU 142 Cb 1.11 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.49 1e9q h LEU 142 CO 0.88 1.23 0.09 0.00 0.09 0.00 0.00 178.44 180.73 1e9q s ALA 143 N -3.89 -1.36 0.27 1.53 0.00 -1.20 -4.22 121.76 112.88 1e9q s ALA 143 Ca -0.09 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.07 1e9q s ALA 143 Cb 0.10 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.92 1e9q s ALA 143 CO 0.87 -0.65 0.75 0.00 0.00 0.00 0.00 175.76 176.73 1e9q s GLY 145 N -2.93 -0.45 0.19 0.00 0.00 -0.98 -1.45 107.32 101.70 1e9q s GLY 145 Ca 0.11 1.25 -0.27 0.00 0.00 0.00 0.00 44.72 45.82 1e9q s GLY 145 CO 0.07 0.59 0.82 0.14 0.00 0.00 0.00 173.10 174.72 1e9q s VAL 146 N -2.38 4.28 -0.33 1.40 1.01 -1.26 -1.80 120.40 121.32 1e9q s VAL 146 Ca 0.00 1.81 -0.27 0.00 0.00 0.00 0.00 61.98 63.53 1e9q s VAL 146 Cb -0.01 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.19 1e9q s VAL 146 CO -0.04 0.52 0.95 -0.63 0.00 0.00 0.00 175.10 175.90 1e9q s ILE 147 N -1.15 4.61 0.30 2.22 1.01 -0.07 -4.50 121.20 123.62 1e9q s ILE 147 Ca 0.37 1.42 0.09 0.00 0.00 0.00 0.00 60.65 62.54 1e9q s ILE 147 Cb -0.24 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 1e9q s ILE 147 CO 0.28 -0.43 0.02 -0.83 0.00 0.00 0.00 174.94 173.97 1e9q s GLY 148 N 1.71 1.85 0.20 6.18 0.00 0.22 -0.70 107.32 116.79 1e9q s GLY 148 Ca 0.40 -1.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.02 1e9q s GLY 148 CO 0.16 -1.80 1.34 -0.42 0.00 0.00 0.00 173.10 172.37 1e9q s ILE 149 N -2.42 3.12 0.30 0.90 1.01 -1.26 -0.72 121.20 122.14 1e9q s ILE 149 Ca 0.34 0.92 0.10 0.00 0.00 0.00 0.00 60.65 62.01 1e9q s ILE 149 Cb -0.04 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.80 1e9q s ILE 149 CO 0.20 0.13 -0.08 0.00 0.00 0.00 0.00 174.94 175.19 1e9q s ALA 150 N 0.16 2.99 -2.00 9.38 0.00 -0.73 -4.79 121.76 126.78 1e9q s ALA 150 Ca 0.58 -1.87 0.17 0.00 0.00 0.00 0.00 51.96 50.83 1e9q s ALA 150 Cb -0.37 -0.39 1.01 0.00 0.00 0.00 0.00 23.12 23.37 1e9q s ALA 150 CO 0.38 0.20 1.41 1.17 0.00 0.00 0.00 175.76 178.92