#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e9p n THR 2 N 0.00 0.00 -3.98 0.00 -2.24 -1.26 -4.60 114.28 102.20 1e9p n THR 2 Ca 0.00 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.36 1e9p n THR 2 Cb 0.00 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.04 1e9p n THR 2 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1e9p s SER 3 N -1.81 0.30 0.18 3.42 0.01 -1.26 -0.94 113.70 113.60 1e9p s SER 3 Ca 0.02 -0.35 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1e9p s SER 3 Cb 0.05 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 1e9p s SER 3 CO 0.30 -0.18 0.29 0.00 0.41 0.00 0.00 173.24 174.06 1e9p s ALA 4 N -0.97 0.18 0.05 1.44 0.00 -0.32 -1.69 121.76 120.46 1e9p s ALA 4 Ca -0.10 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 1e9p s ALA 4 Cb -0.07 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 1e9p s ALA 4 CO -0.00 -0.67 0.17 0.54 0.00 0.00 0.00 175.76 175.79 1e9p s VAL 5 N -4.01 0.13 -0.07 0.00 0.11 0.02 -1.20 120.40 115.38 1e9p s VAL 5 Ca 0.22 -1.05 -0.05 0.00 -2.93 0.00 0.00 61.98 58.18 1e9p s VAL 5 Cb 0.03 -1.06 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 1e9p s VAL 5 CO 0.04 -0.58 0.17 0.00 -3.33 0.00 0.00 175.10 171.40 1e9p s VAL 7 N 0.64 4.01 -0.14 0.00 1.01 -1.26 -1.06 120.40 123.60 1e9p s VAL 7 Ca -0.05 -0.28 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 1e9p s VAL 7 Cb -0.06 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1e9p s VAL 7 CO -0.03 0.40 0.56 -0.76 0.00 0.00 0.00 175.10 175.26 1e9p s LEU 8 N 1.28 4.23 0.05 3.92 1.43 0.34 -4.05 118.68 125.87 1e9p s LEU 8 Ca 0.04 0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 53.99 1e9p s LEU 8 Cb -0.15 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 1e9p s LEU 8 CO 0.02 -0.11 -0.03 -0.44 0.23 0.00 0.00 176.35 176.02 1e9p s SER 9 N 0.88 0.46 0.00 2.29 0.01 -0.52 -2.36 113.70 114.46 1e9p s SER 9 Ca 0.28 -0.94 0.00 0.00 1.31 0.00 0.00 55.95 56.60 1e9p s SER 9 Cb -0.16 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1e9p s SER 9 CO 0.12 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.81 1e9p n GLY 10 N 0.27 2.57 0.02 3.44 0.00 -1.25 -0.78 105.19 109.45 1e9p n GLY 10 Ca -0.15 -0.95 0.13 0.00 0.00 0.00 0.00 46.02 45.05 1e9p n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9p n ASP 11 N -0.65 0.35 0.00 1.61 8.00 -1.26 -4.87 116.55 119.72 1e9p n ASP 11 Ca 0.00 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1e9p n ASP 11 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 1e9p n ASP 11 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e9p n GLY 12 N 1.46 3.37 0.22 0.44 0.00 -1.26 -5.02 105.19 104.39 1e9p n GLY 12 Ca 0.06 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.24 1e9p n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9p n PRO 13 N 0.00 0.94 -2.37 1.61 -0.04 -1.26 -4.90 135.00 128.98 1e9p n PRO 13 Ca 0.00 -0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 1e9p n PRO 13 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 1e9p n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1e9p s VAL 14 N -2.36 4.01 0.13 0.52 1.01 -1.26 -4.49 120.40 117.95 1e9p s VAL 14 Ca 0.30 1.39 -0.08 0.00 0.00 0.00 0.00 61.98 63.59 1e9p s VAL 14 Cb 0.20 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1e9p s VAL 14 CO 0.46 0.04 0.23 0.00 0.00 0.00 0.00 175.10 175.82 1e9p s GLN 15 N 1.87 1.01 -0.04 2.72 -2.07 -0.95 -3.92 119.66 118.29 1e9p s GLN 15 Ca 0.59 -1.11 -0.31 0.00 -1.82 0.00 0.00 55.36 52.71 1e9p s GLN 15 Cb -0.28 0.35 0.12 0.00 -1.09 0.00 0.00 33.01 32.11 1e9p s GLN 15 CO 0.26 -0.35 1.28 0.20 -1.32 0.00 0.00 175.29 175.36 1e9p s GLY 16 N -2.93 -0.40 -0.08 2.60 0.00 -0.99 -0.47 107.32 105.04 1e9p s GLY 16 Ca 0.13 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1e9p s GLY 16 CO -0.04 0.17 -0.07 -1.59 0.00 0.00 0.00 173.10 171.57 1e9p s THR 17 N -2.42 0.85 -0.07 0.90 2.01 -0.65 -0.51 115.64 115.75 1e9p s THR 17 Ca 0.14 -0.23 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1e9p s THR 17 Cb 0.04 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 1e9p s THR 17 CO -0.04 0.32 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.37 1e9p s ILE 18 N 1.35 2.41 0.08 1.82 -1.09 -0.22 -2.26 121.20 123.29 1e9p s ILE 18 Ca -0.03 -0.94 0.08 0.00 -2.23 0.00 0.00 60.65 57.54 1e9p s ILE 18 Cb -0.14 -1.91 -0.04 0.00 -1.58 0.00 0.00 42.46 38.79 1e9p s ILE 18 CO -0.03 0.57 -0.18 -1.00 -1.23 0.00 0.00 174.94 173.07 1e9p s HIS 19 N -0.20 2.56 -0.03 3.97 3.76 0.10 -0.60 115.29 124.85 1e9p s HIS 19 Ca -0.02 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1e9p s HIS 19 Cb -0.13 -1.40 -0.00 0.00 1.11 0.00 0.00 32.58 32.15 1e9p s HIS 19 CO 0.03 0.33 -0.13 -0.06 -0.85 0.00 0.00 174.74 174.07 1e9p s PHE 20 N -1.05 1.23 -0.04 1.40 0.40 -0.34 -0.95 117.98 118.64 1e9p s PHE 20 Ca 0.17 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1e9p s PHE 20 Cb -0.11 -0.83 0.03 0.00 0.51 0.00 0.00 43.02 42.62 1e9p s PHE 20 CO 0.08 -0.09 0.06 -2.00 0.70 0.00 0.00 175.22 173.97 1e9p s GLU 21 N 0.00 -0.02 0.01 0.44 2.12 -0.17 -1.17 118.70 119.91 1e9p s GLU 21 Ca -0.01 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.30 1e9p s GLU 21 Cb -0.08 -0.28 -0.05 0.00 0.26 0.00 0.00 34.13 33.98 1e9p s GLU 21 CO 0.01 -0.20 1.25 0.00 -0.54 0.00 0.00 175.26 175.77 1e9p s ALA 22 N 1.34 3.47 -0.14 6.30 0.00 -0.12 -0.37 121.76 132.25 1e9p s ALA 22 Ca -0.06 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.65 1e9p s ALA 22 Cb -0.13 -3.50 0.05 0.00 0.00 0.00 0.00 23.12 19.54 1e9p s ALA 22 CO -0.04 -0.65 0.05 0.15 0.00 0.00 0.00 175.76 175.27 1e9p s LYS 23 N 1.72 0.35 7.23 0.00 1.02 -0.13 -4.94 119.74 125.00 1e9p s LYS 23 Ca 0.59 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.50 1e9p s LYS 23 Cb -0.28 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1e9p s LYS 23 CO 0.26 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 1e9p n GLY 24 N 5.18 3.11 1.97 -3.33 0.00 -1.26 -1.39 105.19 109.47 1e9p n GLY 24 Ca -0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 1e9p n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1e9p n ASP 25 N 4.13 4.58 -4.52 1.61 5.75 -1.26 -4.96 116.55 121.89 1e9p n ASP 25 Ca 0.00 -3.30 -0.24 0.00 -0.01 0.00 0.00 54.79 51.24 1e9p n ASP 25 Cb 0.00 -0.75 -0.11 0.00 -1.03 0.00 0.00 41.12 39.23 1e9p n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1e9p s THR 26 N -3.05 1.70 -0.11 2.12 -4.23 -0.49 -4.64 115.64 106.94 1e9p s THR 26 Ca 0.55 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1e9p s THR 26 Cb 0.44 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 71.50 1e9p s THR 26 CO 0.13 -0.08 -0.23 -0.69 -0.54 0.00 0.00 174.62 173.20 1e9p s VAL 27 N -2.95 2.11 -0.22 2.29 1.01 0.03 -0.95 120.40 121.72 1e9p s VAL 27 Ca 0.34 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1e9p s VAL 27 Cb 0.07 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1e9p s VAL 27 CO 0.16 0.56 0.22 -0.69 0.00 0.00 0.00 175.10 175.34 1e9p s VAL 28 N 0.40 5.33 -0.21 2.92 1.01 0.50 -1.37 120.40 128.97 1e9p s VAL 28 Ca -0.17 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1e9p s VAL 28 Cb -0.18 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1e9p s VAL 28 CO 0.07 0.34 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 1e9p s VAL 29 N 1.00 3.20 0.27 2.92 1.01 0.11 -1.00 120.40 127.91 1e9p s VAL 29 Ca 0.11 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.56 1e9p s VAL 29 Cb -0.13 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 1e9p s VAL 29 CO 0.04 0.44 0.07 0.42 0.00 0.00 0.00 175.10 176.08 1e9p s THR 30 N 1.41 0.80 -5.00 3.92 -4.23 -0.12 -1.32 115.64 111.10 1e9p s THR 30 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1e9p s THR 30 Cb -0.14 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1e9p s THR 30 CO -0.04 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.60 1e9p n GLY 31 N -0.52 0.90 3.29 3.99 0.00 -1.06 0.01 105.19 111.80 1e9p n GLY 31 Ca -0.01 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 1e9p n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9p s SER 32 N -4.00 -0.25 -0.03 1.61 1.04 -0.96 -0.48 113.70 110.62 1e9p s SER 32 Ca 0.00 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1e9p s SER 32 Cb 0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1e9p s SER 32 CO 0.00 -0.52 -0.13 -0.63 0.98 0.00 0.00 173.24 172.94 1e9p s ILE 33 N -1.65 1.08 0.39 -1.02 1.01 -0.48 -1.63 121.20 118.90 1e9p s ILE 33 Ca -0.11 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.08 1e9p s ILE 33 Cb -0.03 -0.95 -0.08 0.00 0.01 0.00 0.00 42.46 41.42 1e9p s ILE 33 CO 0.03 0.32 0.02 0.42 0.00 0.00 0.00 174.94 175.73 1e9p s THR 34 N 0.14 1.82 -0.26 2.92 -4.23 0.38 -0.99 115.64 115.42 1e9p s THR 34 Ca -0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 1e9p s THR 34 Cb -0.10 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.80 1e9p s THR 34 CO 0.01 -0.01 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 1e9p n GLY 35 N -0.90 0.57 3.89 3.99 0.00 -0.98 -2.23 105.19 109.54 1e9p n GLY 35 Ca -0.04 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 1e9p n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e9p s LEU 36 N -0.55 3.85 0.44 0.99 1.43 -0.99 -4.34 118.68 119.50 1e9p s LEU 36 Ca 0.00 0.93 -0.21 0.00 -1.03 0.00 0.00 54.13 53.81 1e9p s LEU 36 Cb 0.00 -3.81 -0.10 0.00 0.03 0.00 0.00 46.19 42.31 1e9p s LEU 36 CO 0.00 -0.39 0.99 0.42 0.23 0.00 0.00 176.35 177.60 1e9p s THR 37 N -2.39 4.13 0.40 5.49 -4.23 -1.26 -3.88 115.64 113.90 1e9p s THR 37 Ca 0.48 1.38 -0.26 0.00 -1.18 0.00 0.00 61.69 62.10 1e9p s THR 37 Cb -0.10 -3.59 -0.11 0.00 1.34 0.00 0.00 72.50 70.04 1e9p s THR 37 CO 0.35 -0.24 1.26 1.21 -0.54 0.00 0.00 174.62 176.67 1e9p n GLU 38 N -0.61 1.97 0.00 3.99 2.13 -1.26 -4.59 120.64 122.26 1e9p n GLU 38 Ca 0.07 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.59 1e9p n GLU 38 Cb 0.53 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.89 1e9p n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1e9p n GLY 39 N 0.81 -0.13 3.80 8.31 0.00 -0.69 -4.91 105.19 112.38 1e9p n GLY 39 Ca 0.06 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.45 1e9p n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9p s ASP 40 N -4.00 7.19 -0.04 1.61 1.11 -1.26 -0.40 116.67 120.87 1e9p s ASP 40 Ca 0.00 1.61 0.00 0.00 0.18 0.00 0.00 52.55 54.34 1e9p s ASP 40 Cb 0.00 -2.49 0.03 0.00 1.07 0.00 0.00 42.92 41.52 1e9p s ASP 40 CO 0.00 -0.01 -0.00 -1.00 1.18 0.00 0.00 175.17 175.34 1e9p s HIS 41 N -1.56 0.39 0.57 4.23 3.76 0.11 -3.01 115.29 119.78 1e9p s HIS 41 Ca 0.46 -0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 55.14 1e9p s HIS 41 Cb -0.18 -0.49 -0.05 0.00 1.11 0.00 0.00 32.58 32.98 1e9p s HIS 41 CO 0.22 -0.16 1.26 0.41 -0.85 0.00 0.00 174.74 175.62 1e9p n GLY 42 N 4.30 0.48 2.72 -2.22 0.00 -0.40 -1.32 105.19 108.76 1e9p n GLY 42 Ca -0.23 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 1e9p n GLY 42 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1e9p s PHE 43 N -1.34 -0.26 0.08 1.61 5.36 -0.12 -0.56 117.98 122.75 1e9p s PHE 43 Ca 0.74 -0.09 0.02 0.00 -0.96 0.00 0.00 56.93 56.64 1e9p s PHE 43 Cb -0.42 -0.48 -0.04 0.00 -0.34 0.00 0.00 43.02 41.75 1e9p s PHE 43 CO 0.48 -0.76 -0.07 -1.01 -1.46 0.00 0.00 175.22 172.40 1e9p s HIS 44 N 2.31 0.80 -0.21 10.12 3.76 -0.93 -2.74 115.29 128.39 1e9p s HIS 44 Ca 0.08 -0.77 -0.20 0.00 -0.15 0.00 0.00 55.06 54.02 1e9p s HIS 44 Cb -0.15 -0.47 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 1e9p s HIS 44 CO -0.23 -0.14 0.58 0.08 -0.85 0.00 0.00 174.74 174.18 1e9p s VAL 45 N -2.83 5.05 0.36 -0.90 1.01 -0.07 -1.18 120.40 121.84 1e9p s VAL 45 Ca 0.04 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.08 1e9p s VAL 45 Cb -0.00 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1e9p s VAL 45 CO -0.03 0.12 0.58 -1.00 0.00 0.00 0.00 175.10 174.77 1e9p s HIS 46 N 1.92 3.51 0.14 5.22 3.76 0.12 -1.15 115.29 128.81 1e9p s HIS 46 Ca 0.26 0.43 -0.15 0.00 -0.15 0.00 0.00 55.06 55.45 1e9p s HIS 46 Cb -0.16 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.58 1e9p s HIS 46 CO 0.10 0.08 1.70 0.37 -0.85 0.00 0.00 174.74 176.14 1e9p h GLN 47 N 0.78 0.64 -6.20 1.40 4.15 -0.49 -3.07 115.11 112.33 1e9p h GLN 47 Ca -0.49 -0.11 -0.65 0.00 0.77 0.00 0.00 58.65 58.17 1e9p h GLN 47 Cb 1.21 -0.11 -0.10 0.00 0.21 0.00 0.00 27.48 28.69 1e9p h GLN 47 CO 0.62 0.58 -0.62 -0.06 -1.93 0.00 0.00 178.83 177.42 1e9p s PHE 48 N -5.60 3.13 -0.83 3.99 0.08 -0.16 -4.69 117.98 113.91 1e9p s PHE 48 Ca -0.13 0.06 -0.02 0.00 0.12 0.00 0.00 56.93 56.96 1e9p s PHE 48 Cb 0.11 -1.62 0.33 0.00 -0.57 0.00 0.00 43.02 41.27 1e9p s PHE 48 CO 0.76 0.51 2.07 0.41 -0.10 0.00 0.00 175.22 178.86 1e9p n GLY 49 N 0.69 5.47 3.22 4.36 0.00 -1.09 -3.76 105.19 114.08 1e9p n GLY 49 Ca -0.10 -2.45 -0.35 0.00 0.00 0.00 0.00 46.02 43.12 1e9p n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1e9p s ASP 50 N -1.00 4.72 -0.22 1.61 -1.08 -1.26 -4.96 116.67 114.48 1e9p s ASP 50 Ca 0.52 -0.99 0.14 0.00 -0.52 0.00 0.00 52.55 51.70 1e9p s ASP 50 Cb 0.43 -1.73 0.59 0.00 -1.46 0.00 0.00 42.92 40.74 1e9p s ASP 50 CO -0.40 -0.20 1.52 -3.20 0.52 0.00 0.00 175.17 173.41 1e9p n ASN 51 N 4.70 3.97 0.03 -0.34 5.15 -1.26 -3.13 115.26 124.38 1e9p n ASN 51 Ca -0.15 -3.17 -0.00 0.00 -0.60 0.00 0.00 54.58 50.67 1e9p n ASN 51 Cb 0.46 -0.60 0.30 0.00 -0.53 0.00 0.00 39.78 39.41 1e9p n ASN 51 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1e9p h THR 52 N 1.99 1.20 -1.52 -0.44 1.35 -1.93 -2.80 112.91 110.77 1e9p h THR 52 Ca 0.08 -0.86 -0.63 0.00 -0.55 0.00 0.00 66.41 64.45 1e9p h THR 52 Cb 1.67 1.07 -0.38 0.00 -1.73 0.00 0.00 68.15 68.78 1e9p h THR 52 CO 0.35 0.28 -0.28 0.00 -0.25 0.00 0.00 175.52 175.63 1e9p n GLN 53 N -4.25 3.27 0.00 4.72 6.02 -1.26 -5.05 117.38 120.82 1e9p n GLN 53 Ca 0.01 -4.21 0.00 0.00 -0.01 0.00 0.00 57.00 52.79 1e9p n GLN 53 Cb 0.28 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 29.28 1e9p n GLN 53 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1e9p n GLY 54 N -0.54 2.97 0.15 1.08 0.00 -1.06 -2.44 105.19 105.35 1e9p n GLY 54 Ca 0.44 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1e9p n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e9p h THR 56 N 0.00 1.21 0.00 0.00 2.02 -1.82 -2.87 112.91 111.44 1e9p h THR 56 Ca 0.00 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1e9p h THR 56 Cb 0.80 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1e9p h THR 56 CO 0.00 0.27 0.00 -1.54 0.37 0.00 0.00 175.52 174.62 1e9p n SER 57 N -4.31 0.00 0.16 4.18 3.41 -1.24 -2.71 113.62 113.12 1e9p n SER 57 Ca 0.04 -0.56 0.13 0.00 -0.26 0.00 0.00 58.87 58.22 1e9p n SER 57 Cb 0.19 -0.09 0.53 0.00 -0.26 0.00 0.00 64.21 64.59 1e9p n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9p h ALA 58 N 3.43 1.00 -0.04 7.33 0.00 -1.45 -3.40 119.26 126.13 1e9p h ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1e9p h ALA 58 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1e9p h ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1e9p n GLY 59 N 0.11 -1.68 2.45 0.00 0.00 -1.10 -0.99 105.19 103.99 1e9p n GLY 59 Ca 0.02 -1.34 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 1e9p n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1e9p n PRO 60 N -0.02 -0.53 -1.95 1.61 -0.04 -1.26 -4.61 135.00 128.19 1e9p n PRO 60 Ca 0.00 -1.43 -0.38 0.00 -0.04 0.00 0.00 63.50 61.65 1e9p n PRO 60 Cb 0.00 -0.74 0.02 0.00 -0.04 0.00 0.00 33.50 32.74 1e9p n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1e9p s HIS 61 N -2.56 2.52 -0.03 0.54 3.76 -1.26 -0.17 115.29 118.09 1e9p s HIS 61 Ca 0.46 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.49 1e9p s HIS 61 Cb -0.02 -3.68 -0.07 0.00 1.11 0.00 0.00 32.58 29.92 1e9p s HIS 61 CO 0.32 -2.43 1.89 0.12 -0.85 0.00 0.00 174.74 173.79 1e9p s PHE 62 N -1.36 1.50 -0.42 1.40 5.36 -0.30 -4.45 117.98 119.72 1e9p s PHE 62 Ca 0.67 -0.13 0.08 0.00 -0.96 0.00 0.00 56.93 56.58 1e9p s PHE 62 Cb -0.37 -4.11 0.26 0.00 -0.34 0.00 0.00 43.02 38.46 1e9p s PHE 62 CO 0.45 -4.82 0.68 -1.71 -1.46 0.00 0.00 175.22 168.36 1e9p n ASN 63 N 7.89 -0.68 0.29 6.13 5.15 -1.26 -1.53 115.26 131.25 1e9p n ASN 63 Ca 0.20 -2.95 0.17 0.00 -0.60 0.00 0.00 54.58 51.40 1e9p n ASN 63 Cb 0.42 0.15 0.82 0.00 -0.53 0.00 0.00 39.78 40.64 1e9p n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1e9p h PRO 64 N 3.81 0.00 -0.26 1.20 0.13 -1.97 -2.34 132.00 132.56 1e9p h PRO 64 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1e9p h PRO 64 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1e9p h PRO 64 CO 0.41 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 1e9p n LEU 65 N -3.23 2.97 -3.53 1.56 4.77 -1.26 -4.99 117.00 113.29 1e9p n LEU 65 Ca -0.01 -1.21 -0.20 0.00 -0.03 0.00 0.00 56.01 54.56 1e9p n LEU 65 Cb 0.24 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1e9p n LEU 65 CO 0.26 0.61 -0.00 -1.20 -1.33 0.00 0.00 177.39 175.73 1e9p n SER 66 N 1.20 -3.09 -4.86 -1.43 7.64 -0.88 -5.00 113.62 107.20 1e9p n SER 66 Ca 0.18 -0.77 -0.24 0.00 1.01 0.00 0.00 58.87 59.05 1e9p n SER 66 Cb 0.55 -4.51 -0.03 0.00 -1.01 0.00 0.00 64.21 59.21 1e9p n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1e9p s LYS 67 N -5.47 2.32 0.56 1.43 1.02 -1.26 -5.13 119.74 113.22 1e9p s LYS 67 Ca 0.16 -1.86 -0.06 0.00 0.02 0.00 0.00 55.97 54.24 1e9p s LYS 67 Cb -0.03 -2.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1e9p s LYS 67 CO 0.78 -0.41 0.87 0.15 -0.92 0.00 0.00 175.35 175.82 1e9p s LYS 68 N -4.17 3.08 0.41 1.68 1.02 -1.26 -4.76 119.74 115.74 1e9p s LYS 68 Ca 0.39 0.04 -0.26 0.00 0.02 0.00 0.00 55.97 56.17 1e9p s LYS 68 Cb -0.01 -2.30 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 1e9p s LYS 68 CO 0.23 -0.57 1.25 -1.58 -0.92 0.00 0.00 175.35 173.76 1e9p s HIS 69 N -2.92 2.91 0.02 3.18 5.65 -0.09 -3.35 115.29 120.70 1e9p s HIS 69 Ca 0.52 1.47 -0.00 0.00 0.25 0.00 0.00 55.06 57.30 1e9p s HIS 69 Cb -0.10 -3.55 0.00 0.00 -1.18 0.00 0.00 32.58 27.74 1e9p s HIS 69 CO 0.45 -1.78 0.04 0.41 -0.65 0.00 0.00 174.74 173.21 1e9p n GLY 70 N 0.66 2.61 3.99 1.59 0.00 -1.24 -4.43 105.19 108.38 1e9p n GLY 70 Ca 0.04 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 1e9p n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1e9p s GLY 71 N -1.14 1.85 0.52 -0.02 0.00 -1.21 -4.68 107.32 102.62 1e9p s GLY 71 Ca 0.02 -1.49 0.22 0.00 0.00 0.00 0.00 44.72 43.46 1e9p s GLY 71 CO 0.01 -1.20 2.12 -0.56 0.00 0.00 0.00 173.10 173.47 1e9p h PRO 72 N 0.16 0.00 -0.01 2.90 0.13 -1.88 -2.14 132.00 131.15 1e9p h PRO 72 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1e9p h PRO 72 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1e9p h PRO 72 CO 0.49 0.08 -0.08 0.43 -0.23 0.00 0.00 178.00 178.69 1e9p n SER 73 N -4.07 1.41 -4.85 1.44 7.64 -1.26 -4.92 113.62 109.01 1e9p n SER 73 Ca -0.03 -1.34 -0.32 0.00 1.01 0.00 0.00 58.87 58.20 1e9p n SER 73 Cb 0.17 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1e9p n SER 73 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1e9p s ASP 74 N -2.15 6.74 0.13 6.43 1.01 -0.81 -4.98 116.67 123.05 1e9p s ASP 74 Ca 0.34 1.40 -0.08 0.00 0.71 0.00 0.00 52.55 54.92 1e9p s ASP 74 Cb 0.20 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.62 1e9p s ASP 74 CO 0.39 -0.34 1.32 -0.33 0.21 0.00 0.00 175.17 176.42 1e9p h GLU 75 N 1.78 0.58 -4.86 8.23 5.08 -1.91 -3.38 114.58 120.10 1e9p h GLU 75 Ca -0.48 -0.53 -0.70 0.00 -1.00 0.00 0.00 59.36 56.65 1e9p h GLU 75 Cb 1.18 0.13 -0.19 0.00 0.50 0.00 0.00 28.75 30.37 1e9p h GLU 75 CO 0.63 1.15 0.53 -2.00 -1.00 0.00 0.00 179.01 178.33 1e9p s GLU 76 N -3.53 3.40 0.20 2.33 2.56 -1.26 -4.95 118.70 117.44 1e9p s GLU 76 Ca -0.08 -1.60 -0.14 0.00 0.00 0.00 0.00 54.97 53.15 1e9p s GLU 76 Cb 0.09 -4.59 0.01 0.00 2.00 0.00 0.00 34.13 31.63 1e9p s GLU 76 CO 0.88 -1.67 0.45 -0.98 -0.56 0.00 0.00 175.26 173.39 1e9p s ARG 77 N 2.58 1.38 0.53 4.30 1.70 -1.21 -3.63 118.95 124.60 1e9p s ARG 77 Ca 0.24 -1.07 -0.15 0.00 -0.47 0.00 0.00 55.73 54.29 1e9p s ARG 77 Cb -0.12 0.47 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 1e9p s ARG 77 CO -0.03 -0.57 0.98 -1.01 -1.08 0.00 0.00 175.30 173.59 1e9p s HIS 78 N -3.94 3.50 0.27 5.89 3.76 -1.21 -4.68 115.29 118.87 1e9p s HIS 78 Ca 0.15 1.38 -0.04 0.00 -0.15 0.00 0.00 55.06 56.40 1e9p s HIS 78 Cb 0.00 -2.74 0.33 0.00 1.11 0.00 0.00 32.58 31.28 1e9p s HIS 78 CO 0.02 -0.42 1.91 0.28 -0.85 0.00 0.00 174.74 175.68 1e9p h VAL 79 N 0.64 1.24 0.00 -0.90 2.07 -1.82 -2.13 116.25 115.34 1e9p h VAL 79 Ca -0.46 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1e9p h VAL 79 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1e9p h VAL 79 CO 0.62 0.25 0.00 0.61 0.02 0.00 0.00 177.57 179.07 1e9p n GLY 80 N -1.26 -0.63 3.55 2.17 0.00 -0.58 -4.47 105.19 103.96 1e9p n GLY 80 Ca 0.09 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1e9p n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e9p s ASP 81 N -2.09 6.27 -0.16 1.61 1.01 -0.80 -0.89 116.67 121.62 1e9p s ASP 81 Ca 0.26 -0.79 0.16 0.00 0.71 0.00 0.00 52.55 52.89 1e9p s ASP 81 Cb 0.13 -2.55 0.63 0.00 1.01 0.00 0.00 42.92 42.13 1e9p s ASP 81 CO 0.22 -1.72 1.54 0.18 0.21 0.00 0.00 175.17 175.61 1e9p n LEU 82 N 9.12 4.47 0.00 1.23 4.77 -1.11 -3.68 117.00 131.80 1e9p n LEU 82 Ca 0.12 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.35 1e9p n LEU 82 Cb 0.49 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1e9p n LEU 82 CO 0.69 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 1e9p n GLY 83 N 0.28 1.33 3.30 -0.72 0.00 -1.23 -4.81 105.19 103.34 1e9p n GLY 83 Ca 0.23 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1e9p n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1e9p s ASN 84 N -4.00 2.61 0.19 1.61 0.01 -1.26 -0.94 114.94 113.15 1e9p s ASN 84 Ca 0.00 -0.70 0.07 0.00 -0.71 0.00 0.00 52.86 51.52 1e9p s ASN 84 Cb 0.00 -0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 1e9p s ASN 84 CO 0.00 0.06 0.03 0.68 -1.51 0.00 0.00 177.10 176.37 1e9p s VAL 85 N -1.20 3.86 -0.18 1.60 -7.23 -0.44 -4.91 120.40 111.91 1e9p s VAL 85 Ca 0.07 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1e9p s VAL 85 Cb -0.10 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.89 1e9p s VAL 85 CO 0.04 -0.16 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.59 1e9p s THR 86 N -1.83 2.03 0.14 5.32 2.01 -1.26 -0.71 115.64 121.34 1e9p s THR 86 Ca 0.29 -0.95 -0.17 0.00 0.31 0.00 0.00 61.69 61.18 1e9p s THR 86 Cb -0.09 -1.85 -0.07 0.00 0.01 0.00 0.00 72.50 70.50 1e9p s THR 86 CO 0.20 0.51 0.59 0.00 -0.69 0.00 0.00 174.62 175.23 1e9p s ALA 87 N 1.30 3.55 0.78 7.40 0.00 0.46 -4.16 121.76 131.09 1e9p s ALA 87 Ca 0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 1e9p s ALA 87 Cb -0.13 -2.60 0.06 0.00 0.00 0.00 0.00 23.12 20.45 1e9p s ALA 87 CO -0.13 0.42 0.40 -0.40 0.00 0.00 0.00 175.76 176.05 1e9p n ASP 88 N 1.02 0.22 0.16 0.00 5.68 -0.13 -1.71 116.55 121.79 1e9p n ASP 88 Ca -0.06 -1.26 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 1e9p n ASP 88 Cb 0.51 -0.29 0.67 0.00 -1.14 0.00 0.00 41.12 40.87 1e9p n ASP 88 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1e9p h SER 89 N -0.42 0.00 -0.36 -1.12 0.02 -1.97 -1.20 113.55 108.50 1e9p h SER 89 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1e9p h SER 89 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1e9p h SER 89 CO 0.11 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.39 1e9p n ASN 90 N -4.45 2.09 0.00 3.07 4.13 -1.26 -4.79 115.26 114.05 1e9p n ASN 90 Ca 0.02 -1.96 0.00 0.00 1.68 0.00 0.00 54.58 54.33 1e9p n ASN 90 Cb 0.30 -0.24 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1e9p n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1e9p n GLY 91 N 1.14 0.55 3.51 7.41 0.00 -0.45 -4.71 105.19 112.63 1e9p n GLY 91 Ca 0.14 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 1e9p n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1e9p s VAL 92 N -2.00 4.35 -0.18 1.61 1.01 -1.26 -2.33 120.40 121.61 1e9p s VAL 92 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1e9p s VAL 92 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1e9p s VAL 92 CO 0.00 0.40 -0.07 0.00 0.00 0.00 0.00 175.10 175.43 1e9p s ALA 93 N 1.04 2.79 -0.22 5.51 0.00 -0.16 -0.95 121.76 129.77 1e9p s ALA 93 Ca 0.03 -1.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.85 1e9p s ALA 93 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1e9p s ALA 93 CO 0.03 -0.08 0.28 0.42 0.00 0.00 0.00 175.76 176.40 1e9p s ILE 94 N 0.89 5.28 -0.20 0.00 -1.09 -1.26 -1.38 121.20 123.45 1e9p s ILE 94 Ca -0.02 0.44 -0.13 0.00 -2.23 0.00 0.00 60.65 58.72 1e9p s ILE 94 Cb -0.15 -3.61 -0.05 0.00 -1.58 0.00 0.00 42.46 37.08 1e9p s ILE 94 CO 0.01 0.31 0.25 -0.69 -1.23 0.00 0.00 174.94 173.58 1e9p s VAL 95 N 1.12 5.32 -0.38 2.92 1.01 0.37 -4.74 120.40 126.03 1e9p s VAL 95 Ca 0.13 0.41 0.06 0.00 0.00 0.00 0.00 61.98 62.59 1e9p s VAL 95 Cb -0.14 -3.58 0.18 0.00 0.00 0.00 0.00 36.38 32.83 1e9p s VAL 95 CO 0.06 0.36 0.55 -0.62 0.00 0.00 0.00 175.10 175.45 1e9p s ASP 96 N 0.70 -0.78 -0.02 3.32 2.15 -1.24 -2.56 116.67 118.24 1e9p s ASP 96 Ca 0.13 -0.84 0.04 0.00 0.43 0.00 0.00 52.55 52.30 1e9p s ASP 96 Cb -0.13 1.58 -0.00 0.00 -0.30 0.00 0.00 42.92 44.07 1e9p s ASP 96 CO 0.03 -0.22 -0.13 -0.63 -0.17 0.00 0.00 175.17 174.06 1e9p s ILE 97 N 1.90 1.06 -0.14 4.11 1.01 -0.43 -5.00 121.20 123.70 1e9p s ILE 97 Ca 0.15 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1e9p s ILE 97 Cb -0.08 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.48 1e9p s ILE 97 CO -0.10 0.31 -0.18 -0.69 0.00 0.00 0.00 174.94 174.28 1e9p s VAL 98 N -0.09 2.44 -0.01 2.92 1.01 -1.26 0.04 120.40 125.45 1e9p s VAL 98 Ca 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1e9p s VAL 98 Cb -0.08 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1e9p s VAL 98 CO 0.00 0.53 -0.06 -0.62 0.00 0.00 0.00 175.10 174.96 1e9p s ASP 99 N 0.76 0.77 0.00 3.32 2.15 -0.47 -4.98 116.67 118.22 1e9p s ASP 99 Ca -0.07 -0.11 0.24 0.00 0.43 0.00 0.00 52.55 53.04 1e9p s ASP 99 Cb -0.16 -0.16 0.34 0.00 -0.30 0.00 0.00 42.92 42.64 1e9p s ASP 99 CO 0.00 0.05 1.30 -0.81 -0.17 0.00 0.00 175.17 175.54 1e9p n PRO 100 N 3.18 0.00 -0.07 4.34 -0.04 -1.26 -0.79 135.00 140.36 1e9p n PRO 100 Ca -0.16 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.08 1e9p n PRO 100 Cb 0.56 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 1e9p n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1e9p n LEU 101 N -1.50 2.48 -4.74 1.53 4.77 -1.26 -4.81 117.00 113.47 1e9p n LEU 101 Ca 0.05 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 1e9p n LEU 101 Cb 0.33 -0.99 0.08 0.00 -2.33 0.00 0.00 43.42 40.52 1e9p n LEU 101 CO 0.37 0.72 0.76 0.27 -1.33 0.00 0.00 177.39 178.18 1e9p s ILE 102 N -2.50 2.74 0.11 -0.08 -4.36 -1.26 -4.90 121.20 110.95 1e9p s ILE 102 Ca -0.29 0.33 -0.05 0.00 -0.26 0.00 0.00 60.65 60.38 1e9p s ILE 102 Cb 0.08 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.95 1e9p s ILE 102 CO 0.65 -0.23 0.12 -0.55 0.24 0.00 0.00 174.94 175.17 1e9p s SER 103 N -2.43 0.24 0.00 4.36 0.15 -1.16 -4.47 113.70 110.40 1e9p s SER 103 Ca 0.69 -0.95 0.18 0.00 0.70 0.00 0.00 55.95 56.57 1e9p s SER 103 Cb -0.24 0.32 0.26 0.00 -1.71 0.00 0.00 66.02 64.65 1e9p s SER 103 CO 0.46 -0.74 1.18 0.18 1.20 0.00 0.00 173.24 175.52 1e9p n LEU 104 N -0.07 2.83 -3.95 3.45 4.77 -1.26 -1.53 117.00 121.24 1e9p n LEU 104 Ca -0.10 -1.34 -0.10 0.00 -0.03 0.00 0.00 56.01 54.44 1e9p n LEU 104 Cb 0.63 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1e9p n LEU 104 CO 0.27 0.58 0.04 -0.94 -1.33 0.00 0.00 177.39 176.01 1e9p s SER 105 N -1.33 -0.01 0.36 -1.43 1.04 -1.26 -4.14 113.70 106.92 1e9p s SER 105 Ca 0.26 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1e9p s SER 105 Cb 0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1e9p s SER 105 CO 0.23 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1e9p n GLY 106 N -0.26 -1.04 0.29 7.32 0.00 -1.26 -3.72 105.19 106.52 1e9p n GLY 106 Ca -0.06 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 44.80 1e9p n GLY 106 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1e9p h GLU 107 N 0.00 0.63 -0.80 1.61 -0.00 -2.00 -1.93 114.58 112.09 1e9p h GLU 107 Ca 0.00 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 59.19 1e9p h GLU 107 Cb 0.00 -0.14 -0.08 0.00 -0.00 0.00 0.00 28.75 28.53 1e9p h GLU 107 CO 0.00 0.42 0.17 0.66 -0.00 0.00 0.00 179.01 180.25 1e9p n TYR 108 N -4.84 1.79 -1.75 2.06 4.01 -1.26 -4.97 117.16 112.20 1e9p n TYR 108 Ca 0.13 -0.86 -0.42 0.00 -0.16 0.00 0.00 57.90 56.59 1e9p n TYR 108 Cb 0.31 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.80 1e9p n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1e9p n SER 109 N 0.06 3.85 -0.95 7.72 2.88 -0.73 -2.97 113.62 123.47 1e9p n SER 109 Ca 0.28 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 59.10 1e9p n SER 109 Cb 1.09 -1.60 0.13 0.00 -0.75 0.00 0.00 64.21 63.08 1e9p n SER 109 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1e9p n ILE 110 N 1.76 0.19 -2.01 2.46 -5.35 -0.59 -4.91 119.36 110.91 1e9p n ILE 110 Ca 0.07 -0.59 -0.42 0.00 -0.27 0.00 0.00 62.75 61.54 1e9p n ILE 110 Cb 0.37 1.28 -0.03 0.00 -1.74 0.00 0.00 39.64 39.52 1e9p n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1e9p s ILE 111 N -1.68 2.71 0.00 7.28 1.01 -1.26 -1.28 121.20 127.99 1e9p s ILE 111 Ca 0.30 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.52 1e9p s ILE 111 Cb 0.19 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1e9p s ILE 111 CO 0.28 0.08 0.00 0.61 0.00 0.00 0.00 174.94 175.91 1e9p n GLY 112 N 2.63 0.83 1.21 6.18 0.00 0.57 -5.00 105.19 111.61 1e9p n GLY 112 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 1e9p n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9p n ARG 113 N -2.05 0.99 -5.25 1.61 1.74 -0.40 -2.65 116.66 110.65 1e9p n ARG 113 Ca 0.00 -1.00 -0.32 0.00 -0.77 0.00 0.00 57.85 55.76 1e9p n ARG 113 Cb 0.00 -0.02 -0.16 0.00 -1.02 0.00 0.00 32.46 31.26 1e9p n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1e9p s THR 114 N -0.35 2.10 -0.02 0.55 2.01 -1.16 -0.77 115.64 118.01 1e9p s THR 114 Ca 0.16 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.98 1e9p s THR 114 Cb -0.01 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1e9p s THR 114 CO 0.10 0.57 0.37 -0.04 -0.69 0.00 0.00 174.62 174.93 1e9p s MET 115 N -0.15 3.87 -0.02 4.92 -1.94 -0.52 0.13 119.30 125.57 1e9p s MET 115 Ca -0.04 0.33 0.03 0.00 -1.71 0.00 0.00 55.69 54.31 1e9p s MET 115 Cb -0.14 -3.22 -0.00 0.00 2.01 0.00 0.00 34.83 33.48 1e9p s MET 115 CO 0.04 0.69 -0.11 0.08 -0.01 0.00 0.00 175.02 175.70 1e9p s VAL 116 N -1.02 0.92 -0.16 -6.03 1.01 -0.33 -2.15 120.40 112.65 1e9p s VAL 116 Ca 0.22 -0.46 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1e9p s VAL 116 Cb -0.16 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1e9p s VAL 116 CO 0.12 0.27 -0.03 -0.69 0.00 0.00 0.00 175.10 174.78 1e9p s VAL 117 N 0.01 3.99 0.33 2.92 1.01 -0.72 -2.19 120.40 125.75 1e9p s VAL 117 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1e9p s VAL 117 Cb -0.07 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1e9p s VAL 117 CO 0.00 0.49 0.46 -1.00 0.00 0.00 0.00 175.10 175.05 1e9p s HIS 118 N 0.34 3.12 0.17 5.22 3.76 0.27 -0.55 115.29 127.62 1e9p s HIS 118 Ca -0.03 -0.21 -0.05 0.00 -0.15 0.00 0.00 55.06 54.61 1e9p s HIS 118 Cb -0.14 -1.97 0.04 0.00 1.11 0.00 0.00 32.58 31.63 1e9p s HIS 118 CO 0.03 0.02 1.46 1.05 -0.85 0.00 0.00 174.74 176.44 1e9p h GLU 119 N 0.92 0.62 -5.89 1.40 4.11 -0.98 -3.36 114.58 111.41 1e9p h GLU 119 Ca -0.46 -0.42 -0.58 0.00 0.07 0.00 0.00 59.36 57.98 1e9p h GLU 119 Cb 1.25 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 1e9p h GLU 119 CO 0.53 1.03 -0.53 0.15 0.07 0.00 0.00 179.01 180.27 1e9p s LYS 120 N -3.95 2.17 0.65 1.06 1.02 -0.03 -4.89 119.74 115.77 1e9p s LYS 120 Ca -0.08 -1.86 -0.18 0.00 0.02 0.00 0.00 55.97 53.87 1e9p s LYS 120 Cb 0.11 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1e9p s LYS 120 CO 0.86 -0.06 1.25 -2.14 -0.92 0.00 0.00 175.35 174.34 1e9p s PRO 121 N -3.85 2.58 -0.16 -1.68 0.02 -1.16 -1.27 135.00 129.48 1e9p s PRO 121 Ca 0.39 1.94 -0.21 0.00 0.02 0.00 0.00 61.00 63.14 1e9p s PRO 121 Cb 0.04 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.67 1e9p s PRO 121 CO 0.21 -1.54 0.64 0.34 -0.33 0.00 0.00 177.00 176.32 1e9p s ASP 122 N -1.57 6.77 0.00 2.53 -1.08 -1.26 -3.97 116.67 118.09 1e9p s ASP 122 Ca 0.80 0.93 0.20 0.00 -0.52 0.00 0.00 52.55 53.96 1e9p s ASP 122 Cb -0.34 -2.36 1.02 0.00 -1.46 0.00 0.00 42.92 39.78 1e9p s ASP 122 CO 0.39 -0.22 1.68 -0.90 0.52 0.00 0.00 175.17 176.64 1e9p n ASP 123 N 4.63 0.53 -1.66 -0.34 5.68 0.32 -4.90 116.55 120.80 1e9p n ASP 123 Ca -0.02 -1.50 -0.17 0.00 -0.50 0.00 0.00 54.79 52.60 1e9p n ASP 123 Cb 0.50 -0.03 -0.04 0.00 -1.14 0.00 0.00 41.12 40.41 1e9p n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1e9p n LEU 124 N -0.44 -1.53 0.00 -2.12 4.77 -1.26 -2.12 117.00 114.29 1e9p n LEU 124 Ca 0.15 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1e9p n LEU 124 Cb 0.15 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 38.74 1e9p n LEU 124 CO 0.11 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.25 1e9p n GLY 125 N -0.93 0.48 0.78 -0.72 0.00 -1.24 -3.35 105.19 100.20 1e9p n GLY 125 Ca -0.19 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.65 1e9p n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9p n ARG 126 N -2.99 1.69 0.14 1.61 1.74 -0.90 -4.67 116.66 113.28 1e9p n ARG 126 Ca 0.00 -3.22 0.13 0.00 -0.77 0.00 0.00 57.85 53.98 1e9p n ARG 126 Cb 0.00 -1.69 0.28 0.00 -1.02 0.00 0.00 32.46 30.03 1e9p n ARG 126 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1e9p h GLY 127 N 0.97 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 98.53 1e9p h GLY 127 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1e9p h GLY 127 CO 0.14 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.29 1e9p n GLY 128 N 1.24 1.71 3.80 4.60 0.00 -1.26 -5.01 105.19 110.27 1e9p n GLY 128 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1e9p n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e9p s ASN 129 N -3.01 4.32 0.18 1.61 2.20 -1.26 -5.05 114.94 113.92 1e9p s ASN 129 Ca 0.00 -1.45 -0.06 0.00 -0.94 0.00 0.00 52.86 50.42 1e9p s ASN 129 Cb 0.00 0.34 0.06 0.00 -2.00 0.00 0.00 41.25 39.65 1e9p s ASN 129 CO 0.00 -0.89 1.49 -0.08 -2.94 0.00 0.00 177.10 174.69 1e9p h GLU 130 N 1.18 0.68 -0.04 3.55 4.81 -2.01 -2.98 114.58 119.77 1e9p h GLU 130 Ca -0.41 -0.41 -0.04 0.00 -0.13 0.00 0.00 59.36 58.37 1e9p h GLU 130 Cb 1.30 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1e9p h GLU 130 CO 0.68 1.02 -0.14 1.49 -0.73 0.00 0.00 179.01 181.33 1e9p h GLU 131 N 0.54 0.07 -0.86 1.92 4.57 -2.00 -2.69 114.58 116.12 1e9p h GLU 131 Ca 0.02 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.24 1e9p h GLU 131 Cb 1.06 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.59 1e9p h GLU 131 CO 0.10 0.22 0.57 1.03 -1.18 0.00 0.00 179.01 179.74 1e9p h SER 132 N 0.07 0.90 -0.01 1.04 0.87 -1.87 0.36 113.55 114.90 1e9p h SER 132 Ca 0.01 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1e9p h SER 132 Cb 0.30 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1e9p h SER 132 CO 0.02 0.60 0.00 0.35 -0.53 0.00 0.00 176.83 177.27 1e9p n THR 133 N -4.46 0.01 -0.05 2.23 -2.24 -1.01 -1.87 114.28 106.88 1e9p n THR 133 Ca 0.12 -0.10 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 1e9p n THR 133 Cb 0.15 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 1e9p n THR 133 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1e9p n LYS 134 N -0.55 0.25 0.00 -0.78 5.02 -0.76 -0.92 118.16 120.42 1e9p n LYS 134 Ca 0.21 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 1e9p n LYS 134 Cb 0.20 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1e9p n LYS 134 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1e9p n THR 135 N -3.61 0.00 -1.01 -0.18 -2.24 0.04 -4.62 114.28 102.66 1e9p n THR 135 Ca -0.20 -0.39 -0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1e9p n THR 135 Cb 0.57 1.05 -0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1e9p n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e9p n GLY 136 N 0.61 0.44 2.93 3.38 0.00 -0.78 -3.21 105.19 108.56 1e9p n GLY 136 Ca 0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1e9p n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e9p n ASN 137 N -0.04 -5.72 -0.03 1.61 3.02 -1.25 -0.52 115.26 112.32 1e9p n ASN 137 Ca -0.00 -0.23 0.14 0.00 -0.03 0.00 0.00 54.58 54.46 1e9p n ASN 137 Cb 0.08 -4.66 0.64 0.00 -0.61 0.00 0.00 39.78 35.23 1e9p n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e9p n ALA 138 N -3.24 2.61 -0.47 5.41 0.00 -1.20 -4.73 120.51 118.90 1e9p n ALA 138 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1e9p n ALA 138 Cb 0.62 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1e9p n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9p n GLY 139 N 1.36 0.14 3.44 0.00 0.00 -1.26 -0.85 105.19 108.02 1e9p n GLY 139 Ca 0.12 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 1e9p n GLY 139 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1e9p n SER 140 N -0.98 -1.59 -4.48 1.61 7.64 -1.26 -4.60 113.62 109.95 1e9p n SER 140 Ca 0.00 0.48 -0.43 0.00 1.01 0.00 0.00 58.87 59.93 1e9p n SER 140 Cb 0.00 -1.21 -0.09 0.00 -1.01 0.00 0.00 64.21 61.90 1e9p n SER 140 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1e9p s ARG 141 N -3.13 3.09 0.08 1.43 0.52 -1.26 -0.97 118.95 118.70 1e9p s ARG 141 Ca 0.62 -0.78 -0.13 0.00 -0.52 0.00 0.00 55.73 54.91 1e9p s ARG 141 Cb -0.29 -3.97 -0.22 0.00 0.52 0.00 0.00 34.95 31.00 1e9p s ARG 141 CO 0.62 -0.83 1.21 -0.07 0.02 0.00 0.00 175.30 176.25 1e9p h LEU 142 N 9.00 0.92 -7.14 2.53 3.38 -1.13 -3.48 115.31 119.40 1e9p h LEU 142 Ca -0.27 -0.71 -0.05 0.00 0.09 0.00 0.00 57.88 56.95 1e9p h LEU 142 Cb 1.11 -0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.44 1e9p h LEU 142 CO 0.79 1.51 0.10 0.00 0.09 0.00 0.00 178.44 180.93 1e9p s ALA 143 N -3.39 -1.41 0.30 1.53 0.00 -1.19 -4.27 121.76 113.33 1e9p s ALA 143 Ca -0.10 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.23 1e9p s ALA 143 Cb 0.07 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.77 1e9p s ALA 143 CO 0.92 -0.60 0.67 0.00 0.00 0.00 0.00 175.76 176.75 1e9p s GLY 145 N -2.98 -0.40 0.07 0.00 0.00 -0.91 -1.44 107.32 101.65 1e9p s GLY 145 Ca 0.15 1.34 -0.23 0.00 0.00 0.00 0.00 44.72 45.98 1e9p s GLY 145 CO 0.09 0.55 0.69 0.14 0.00 0.00 0.00 173.10 174.58 1e9p s VAL 146 N -2.47 4.69 -0.29 1.40 1.01 -1.26 -1.44 120.40 122.03 1e9p s VAL 146 Ca 0.03 1.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.21 1e9p s VAL 146 Cb -0.01 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1e9p s VAL 146 CO -0.05 0.45 1.03 -0.63 0.00 0.00 0.00 175.10 175.89 1e9p s ILE 147 N -0.53 4.60 0.32 2.22 1.01 0.05 -4.50 121.20 124.37 1e9p s ILE 147 Ca 0.34 1.75 0.09 0.00 0.00 0.00 0.00 60.65 62.84 1e9p s ILE 147 Cb -0.20 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.87 1e9p s ILE 147 CO 0.22 -0.36 0.01 -0.83 0.00 0.00 0.00 174.94 173.98 1e9p s GLY 148 N 1.51 1.97 0.19 6.18 0.00 -0.04 -0.31 107.32 116.81 1e9p s GLY 148 Ca 0.43 -1.88 -0.30 0.00 0.00 0.00 0.00 44.72 42.97 1e9p s GLY 148 CO 0.12 -1.85 1.21 -0.42 0.00 0.00 0.00 173.10 172.16 1e9p s ILE 149 N -2.47 3.53 0.34 0.90 1.01 -1.26 -0.80 121.20 122.45 1e9p s ILE 149 Ca 0.34 1.29 0.09 0.00 0.00 0.00 0.00 60.65 62.37 1e9p s ILE 149 Cb -0.02 -3.82 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 1e9p s ILE 149 CO 0.20 0.20 -0.04 0.00 0.00 0.00 0.00 174.94 175.30 1e9p s ALA 150 N -0.03 3.08 -2.00 9.38 0.00 -0.68 -4.79 121.76 126.73 1e9p s ALA 150 Ca 0.53 -2.01 0.25 0.00 0.00 0.00 0.00 51.96 50.74 1e9p s ALA 150 Cb -0.33 -0.24 1.50 0.00 0.00 0.00 0.00 23.12 24.05 1e9p s ALA 150 CO 0.37 0.09 1.86 0.43 0.00 0.00 0.00 175.76 178.50