#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 -4.04 0.00 -2.24 -1.26 -4.66 114.28 102.08 1e9p n THR 2 Ca 0.00 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.38 1e9p n THR 2 Cb 0.00 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 68.81 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 -2.28 0.42 0.14 3.42 0.01 -1.26 -0.91 113.70 113.24 1e9p s SER 3 Ca 0.01 -0.17 -0.02 0.00 1.31 0.00 0.00 55.95 57.08 1e9p s SER 3 Cb 0.06 -0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 1e9p s SER 3 CO 0.35 -0.03 0.09 0.00 0.41 0.00 0.00 173.24 174.06 1e9p s ALA 4 N -0.39 0.80 0.03 1.44 0.00 -0.05 -1.72 121.76 121.87 1e9p s ALA 4 Ca -0.02 -1.43 -0.11 0.00 0.00 0.00 0.00 51.96 50.40 1e9p s ALA 4 Cb -0.03 0.94 0.01 0.00 0.00 0.00 0.00 23.12 24.04 1e9p s ALA 4 CO -0.00 -0.52 0.23 0.54 0.00 0.00 0.00 175.76 176.01 1e9p s VAL 5 N -4.05 0.10 -0.06 0.00 0.11 0.14 -1.02 120.40 115.61 1e9p s VAL 5 Ca 0.25 -0.79 -0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1e9p s VAL 5 Cb 0.07 -0.87 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1e9p s VAL 5 CO 0.03 -0.43 0.13 0.00 -3.33 0.00 0.00 175.10 171.50 1e9p s VAL 7 N 1.11 4.60 -0.07 0.00 1.01 -1.26 -0.70 120.40 125.09 1e9p s VAL 7 Ca -0.09 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.61 1e9p s VAL 7 Cb -0.11 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1e9p s VAL 7 CO -0.05 0.32 0.61 -0.76 0.00 0.00 0.00 175.10 175.22 1e9p s LEU 8 N 1.63 4.33 0.05 3.92 1.43 0.95 -4.07 118.68 126.91 1e9p s LEU 8 Ca 0.06 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.23 1e9p s LEU 8 Cb -0.15 -2.94 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1e9p s LEU 8 CO 0.06 -0.04 -0.02 -0.44 0.23 0.00 0.00 176.35 176.14 1e9p s SER 9 N 0.54 0.45 0.00 2.29 0.01 -0.46 -2.69 113.70 113.83 1e9p s SER 9 Ca 0.33 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1e9p s SER 9 Cb -0.17 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.26 1e9p s SER 9 CO 0.16 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.84 1e9p n GLY 10 N 0.25 2.85 0.06 3.44 0.00 -1.26 -1.03 105.19 109.50 1e9p n GLY 10 Ca -0.15 -0.92 0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.46 0.48 0.00 1.61 8.00 -1.26 -4.89 116.55 120.02 1e9p n ASP 11 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1e9p n ASP 11 Cb 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 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 1.44 3.79 0.06 0.44 0.00 -1.26 -5.04 105.19 104.62 1e9p n GLY 12 Ca 0.08 -1.91 0.13 0.00 0.00 0.00 0.00 46.02 44.32 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 0.32 -2.40 1.61 -0.04 -1.26 -4.88 135.00 128.34 1e9p n PRO 13 Ca 0.00 -0.12 -0.42 0.00 -0.04 0.00 0.00 63.50 62.91 1e9p n PRO 13 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.77 4.07 0.09 0.52 1.01 -1.26 -4.39 120.40 117.68 1e9p s VAL 14 Ca 0.19 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.58 1e9p s VAL 14 Cb 0.19 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1e9p s VAL 14 CO 0.56 0.04 0.07 -1.10 0.00 0.00 0.00 175.10 174.67 1e9p s GLN 15 N 1.85 0.80 0.00 2.72 -0.21 -1.00 -4.02 119.66 119.79 1e9p s GLN 15 Ca 0.58 -1.21 0.00 0.00 0.02 0.00 0.00 55.36 54.76 1e9p s GLN 15 Cb -0.28 0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.00 1e9p s GLN 15 CO 0.25 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.62 1e9p n GLY 16 N -0.01 0.81 2.93 3.09 0.00 -1.09 -0.32 105.19 110.59 1e9p n GLY 16 Ca -0.11 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1e9p n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e9p s THR 17 N -2.00 0.91 -0.09 2.61 2.01 -0.92 -0.03 115.64 118.12 1e9p s THR 17 Ca 0.00 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1e9p s THR 17 Cb 0.00 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 1e9p s THR 17 CO 0.00 0.33 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.42 1e9p s ILE 18 N 1.22 2.38 -0.00 1.82 -1.09 0.13 -2.69 121.20 122.97 1e9p s ILE 18 Ca -0.05 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 57.49 1e9p s ILE 18 Cb -0.14 -1.93 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1e9p s ILE 18 CO -0.02 0.56 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.15 1e9p s HIS 19 N 0.14 2.83 -0.04 3.97 3.76 0.79 -0.84 115.29 125.90 1e9p s HIS 19 Ca -0.11 -0.08 0.05 0.00 -0.15 0.00 0.00 55.06 54.78 1e9p s HIS 19 Cb -0.16 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 1e9p s HIS 19 CO 0.06 0.33 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.04 1e9p s PHE 20 N -0.94 1.82 -0.02 1.40 0.40 -0.19 -1.25 117.98 119.19 1e9p s PHE 20 Ca 0.16 -0.47 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 1e9p s PHE 20 Cb -0.11 -1.20 0.02 0.00 0.51 0.00 0.00 43.02 42.24 1e9p s PHE 20 CO 0.06 -0.13 0.04 -2.00 0.70 0.00 0.00 175.22 173.89 1e9p s GLU 21 N -0.15 0.00 -0.30 0.44 2.12 -0.36 -0.87 118.70 119.58 1e9p s GLU 21 Ca -0.00 0.16 -0.26 0.00 0.36 0.00 0.00 54.97 55.23 1e9p s GLU 21 Cb -0.10 -0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.14 1e9p s GLU 21 CO 0.01 -0.11 0.90 0.00 -0.54 0.00 0.00 175.26 175.52 1e9p s ALA 22 N 0.73 3.55 -0.22 6.30 0.00 -0.09 -0.79 121.76 131.23 1e9p s ALA 22 Ca -0.06 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.70 1e9p s ALA 22 Cb -0.08 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1e9p s ALA 22 CO -0.02 -1.24 -0.15 -1.12 0.00 0.00 0.00 175.76 173.23 1e9p s SER 23 N 1.55 3.77 1.71 0.00 0.01 -0.49 -4.99 113.70 115.27 1e9p s SER 23 Ca 0.38 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1e9p s SER 23 Cb -0.14 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.59 1e9p s SER 23 CO 0.12 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1e9p n GLY 24 N 4.53 3.45 1.00 3.44 0.00 -1.26 -1.85 105.19 114.49 1e9p n GLY 24 Ca -0.17 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.83 1e9p n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e9p n ASP 25 N 8.01 3.67 -4.28 1.61 8.00 -1.26 -5.00 116.55 127.30 1e9p n ASP 25 Ca 0.00 -2.30 -0.29 0.00 0.71 0.00 0.00 54.79 52.92 1e9p n ASP 25 Cb 0.00 -0.40 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1e9p n ASP 25 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1e9p s THR 26 N -1.55 0.70 -0.10 -3.53 -1.32 -0.77 -5.05 115.64 104.03 1e9p s THR 26 Ca 0.37 -2.00 0.04 0.00 -1.21 0.00 0.00 61.69 58.88 1e9p s THR 26 Cb 0.23 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1e9p s THR 26 CO 0.19 0.00 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.69 1e9p s VAL 27 N -3.09 1.92 -0.22 5.08 1.01 -1.23 -1.39 120.40 122.48 1e9p s VAL 27 Ca 0.16 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1e9p s VAL 27 Cb 0.01 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1e9p s VAL 27 CO 0.11 0.53 0.07 -0.69 0.00 0.00 0.00 175.10 175.12 1e9p s VAL 28 N 0.45 4.64 -0.19 2.92 1.01 0.03 -2.07 120.40 127.18 1e9p s VAL 28 Ca -0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1e9p s VAL 28 Cb -0.17 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1e9p s VAL 28 CO 0.07 0.40 -0.06 -0.69 0.00 0.00 0.00 175.10 174.82 1e9p s VAL 29 N 0.96 3.39 0.19 2.92 1.01 0.12 -1.22 120.40 127.76 1e9p s VAL 29 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1e9p s VAL 29 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1e9p s VAL 29 CO 0.03 0.45 0.06 0.42 0.00 0.00 0.00 175.10 176.06 1e9p s THR 30 N 1.08 0.40 -5.00 3.92 -4.23 -0.38 -0.60 115.64 110.83 1e9p s THR 30 Ca 0.01 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1e9p s THR 30 Cb -0.15 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.42 1e9p s THR 30 CO -0.01 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1e9p n GLY 31 N -0.26 0.83 3.31 3.99 0.00 -1.04 -0.15 105.19 111.87 1e9p n GLY 31 Ca -0.03 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.28 -0.06 1.61 1.04 -1.09 -0.14 113.70 110.78 1e9p s SER 32 Ca 0.00 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.54 1e9p s SER 32 Cb 0.00 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1e9p s SER 32 CO 0.00 -0.58 -0.11 -0.63 0.98 0.00 0.00 173.24 172.90 1e9p s ILE 33 N -1.93 1.06 0.44 -1.02 1.01 -0.37 -2.17 121.20 118.21 1e9p s ILE 33 Ca -0.09 -0.43 0.06 0.00 0.00 0.00 0.00 60.65 60.19 1e9p s ILE 33 Cb -0.02 -0.98 -0.05 0.00 0.01 0.00 0.00 42.46 41.42 1e9p s ILE 33 CO 0.01 0.34 0.14 0.42 0.00 0.00 0.00 174.94 175.85 1e9p s THR 34 N 0.70 2.04 -0.00 2.92 -4.23 0.56 -0.43 115.64 117.20 1e9p s THR 34 Ca -0.14 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1e9p s THR 34 Cb -0.16 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1e9p s THR 34 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1e9p n GLY 35 N -1.22 0.47 3.89 3.99 0.00 -1.04 -2.38 105.19 108.90 1e9p n GLY 35 Ca -0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.01 3.84 0.38 0.99 1.43 -0.82 -4.30 118.68 120.20 1e9p s LEU 36 Ca 0.00 0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 53.79 1e9p s LEU 36 Cb 0.00 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1e9p s LEU 36 CO 0.00 -0.39 1.04 0.42 0.23 0.00 0.00 176.35 177.65 1e9p s THR 37 N -2.40 3.77 0.51 5.49 -4.23 -1.26 -4.00 115.64 113.52 1e9p s THR 37 Ca 0.48 1.40 -0.21 0.00 -1.18 0.00 0.00 61.69 62.18 1e9p s THR 37 Cb -0.10 -3.74 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1e9p s THR 37 CO 0.35 0.04 0.78 1.21 -0.54 0.00 0.00 174.62 176.46 1e9p n GLU 38 N 0.09 0.86 0.00 3.99 2.13 -1.26 -4.62 120.64 121.84 1e9p n GLU 38 Ca 0.04 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.18 1e9p n GLU 38 Cb 0.49 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 30.33 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 1.49 -0.45 3.83 8.31 0.00 -0.73 -4.88 105.19 112.76 1e9p n GLY 39 Ca 0.11 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.16 6.95 -0.04 1.61 1.01 -1.26 -0.40 116.67 121.38 1e9p s ASP 40 Ca 0.00 1.21 0.01 0.00 0.71 0.00 0.00 52.55 54.49 1e9p s ASP 40 Cb 0.00 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 41.61 1e9p s ASP 40 CO 0.00 0.14 -0.04 -1.00 0.21 0.00 0.00 175.17 174.48 1e9p s HIS 41 N -1.37 0.63 0.48 4.23 3.76 0.04 -2.65 115.29 120.41 1e9p s HIS 41 Ca 0.36 -0.15 -0.24 0.00 -0.15 0.00 0.00 55.06 54.89 1e9p s HIS 41 Cb -0.17 -0.57 -0.07 0.00 1.11 0.00 0.00 32.58 32.88 1e9p s HIS 41 CO 0.20 -0.15 1.37 0.20 -0.85 0.00 0.00 174.74 175.51 1e9p s GLY 42 N 0.79 2.90 -0.20 -2.22 0.00 -0.40 -1.24 107.32 106.95 1e9p s GLY 42 Ca -0.10 1.36 -0.05 0.00 0.00 0.00 0.00 44.72 45.93 1e9p s GLY 42 CO -0.00 1.92 0.10 -0.12 0.00 0.00 0.00 173.10 175.01 1e9p s PHE 43 N -1.27 0.20 0.05 1.90 5.36 0.25 -1.02 117.98 123.45 1e9p s PHE 43 Ca 0.65 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.20 1e9p s PHE 43 Cb -0.41 -0.73 -0.03 0.00 -0.34 0.00 0.00 43.02 41.51 1e9p s PHE 43 CO 0.51 -0.59 -0.05 -1.01 -1.46 0.00 0.00 175.22 172.63 1e9p s HIS 44 N 2.14 0.55 -0.26 10.12 3.76 -0.78 -2.71 115.29 128.11 1e9p s HIS 44 Ca 0.04 -0.80 -0.19 0.00 -0.15 0.00 0.00 55.06 53.96 1e9p s HIS 44 Cb -0.16 -0.36 -0.02 0.00 1.11 0.00 0.00 32.58 33.14 1e9p s HIS 44 CO -0.16 -0.23 0.56 0.08 -0.85 0.00 0.00 174.74 174.14 1e9p s VAL 45 N -2.76 5.03 0.27 -0.90 1.01 -0.05 -0.84 120.40 122.17 1e9p s VAL 45 Ca -0.01 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.92 1e9p s VAL 45 Cb -0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1e9p s VAL 45 CO -0.05 0.05 0.48 -1.00 0.00 0.00 0.00 175.10 174.59 1e9p s HIS 46 N 2.39 3.49 0.10 5.22 3.76 0.80 -0.99 115.29 130.06 1e9p s HIS 46 Ca 0.23 0.39 -0.18 0.00 -0.15 0.00 0.00 55.06 55.35 1e9p s HIS 46 Cb -0.16 -1.91 -0.06 0.00 1.11 0.00 0.00 32.58 31.56 1e9p s HIS 46 CO 0.09 0.25 1.59 0.37 -0.85 0.00 0.00 174.74 176.19 1e9p h GLN 47 N 1.46 0.45 -5.96 1.40 4.15 -0.55 -2.78 115.11 113.27 1e9p h GLN 47 Ca -0.49 -0.11 -0.65 0.00 0.77 0.00 0.00 58.65 58.18 1e9p h GLN 47 Cb 1.20 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.75 1e9p h GLN 47 CO 0.65 0.54 -0.55 -0.06 -1.93 0.00 0.00 178.83 177.48 1e9p s PHE 48 N -5.28 3.36 -0.77 3.99 0.08 -0.48 -4.65 117.98 114.24 1e9p s PHE 48 Ca -0.13 0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1e9p s PHE 48 Cb 0.08 -1.75 0.26 0.00 -0.57 0.00 0.00 43.02 41.04 1e9p s PHE 48 CO 0.74 0.58 2.23 0.41 -0.10 0.00 0.00 175.22 179.07 1e9p n GLY 49 N 0.97 5.24 3.24 4.36 0.00 -1.04 -3.72 105.19 114.24 1e9p n GLY 49 Ca -0.11 -2.32 -0.36 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.67 4.87 -0.28 1.61 -1.08 -1.26 -4.96 116.67 114.89 1e9p s ASP 50 Ca 0.53 -1.01 0.09 0.00 -0.52 0.00 0.00 52.55 51.64 1e9p s ASP 50 Cb 0.40 -1.77 0.49 0.00 -1.46 0.00 0.00 42.92 40.58 1e9p s ASP 50 CO -0.33 -0.22 1.42 0.59 0.52 0.00 0.00 175.17 177.15 1e9p n ASN 51 N 4.73 2.40 0.17 -0.34 3.02 -1.26 -2.99 115.26 120.98 1e9p n ASN 51 Ca -0.14 -3.82 0.03 0.00 -0.03 0.00 0.00 54.58 50.62 1e9p n ASN 51 Cb 0.46 -0.62 0.41 0.00 -0.61 0.00 0.00 39.78 39.42 1e9p n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1e9p h THR 52 N 1.02 1.19 -1.61 3.41 1.35 -1.93 -2.49 112.91 113.86 1e9p h THR 52 Ca 0.19 -0.90 -0.62 0.00 -0.55 0.00 0.00 66.41 64.54 1e9p h THR 52 Cb 1.54 1.39 -0.39 0.00 -1.73 0.00 0.00 68.15 68.96 1e9p h THR 52 CO 0.34 0.26 -0.41 0.00 -0.25 0.00 0.00 175.52 175.47 1e9p n GLN 53 N -4.23 3.31 0.00 4.72 1.13 -1.26 -5.05 117.38 116.00 1e9p n GLN 53 Ca -0.02 -4.34 0.00 0.00 -1.94 0.00 0.00 57.00 50.71 1e9p n GLN 53 Cb 0.31 -2.25 0.00 0.00 0.11 0.00 0.00 30.24 28.40 1e9p n GLN 53 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1e9p n GLY 54 N -0.49 2.04 0.03 1.08 0.00 -0.94 -2.29 105.19 104.62 1e9p n GLY 54 Ca 0.42 -0.53 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.79 -2.59 112.91 111.76 1e9p h THR 56 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1e9p h THR 56 Cb 0.58 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 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 -4.30 0.00 0.04 4.18 3.41 -1.24 -2.73 113.62 112.98 1e9p n SER 57 Ca 0.04 -1.01 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1e9p n SER 57 Cb 0.20 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.60 1e9p n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e9p n ALA 58 N -0.89 1.94 -0.05 7.33 0.00 -0.98 -4.42 120.51 123.44 1e9p n ALA 58 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1e9p n ALA 58 Cb 0.07 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1e9p n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1e9p n GLY 59 N 0.62 -1.92 1.67 0.00 0.00 -1.11 -1.38 105.19 103.07 1e9p n GLY 59 Ca 0.04 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.08 -0.40 -2.14 1.61 -0.04 -1.26 -4.61 135.00 128.07 1e9p n PRO 60 Ca 0.00 -0.94 -0.38 0.00 -0.04 0.00 0.00 63.50 62.14 1e9p n PRO 60 Cb 0.00 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 -2.06 2.77 0.10 0.54 3.76 -1.26 -0.41 115.29 118.73 1e9p s HIS 61 Ca 0.32 1.49 -0.31 0.00 -0.15 0.00 0.00 55.06 56.41 1e9p s HIS 61 Cb -0.01 -3.49 -0.09 0.00 1.11 0.00 0.00 32.58 30.09 1e9p s HIS 61 CO 0.22 -1.82 1.70 0.12 -0.85 0.00 0.00 174.74 174.11 1e9p s PHE 62 N -1.45 2.41 -0.44 1.40 5.36 -0.17 -4.50 117.98 120.59 1e9p s PHE 62 Ca 0.64 0.24 0.07 0.00 -0.96 0.00 0.00 56.93 56.92 1e9p s PHE 62 Cb -0.32 -4.03 0.26 0.00 -0.34 0.00 0.00 43.02 38.59 1e9p s PHE 62 CO 0.39 -4.15 0.79 -1.71 -1.46 0.00 0.00 175.22 169.09 1e9p n ASN 63 N 5.44 -1.53 0.28 6.13 5.15 -1.26 -1.59 115.26 127.88 1e9p n ASN 63 Ca 0.16 -3.14 0.17 0.00 -0.60 0.00 0.00 54.58 51.17 1e9p n ASN 63 Cb 0.39 0.85 0.80 0.00 -0.53 0.00 0.00 39.78 41.30 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 3.77 0.00 -0.31 1.20 0.13 -1.95 -2.19 132.00 132.64 1e9p h PRO 64 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1e9p h PRO 64 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1e9p h PRO 64 CO 0.36 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.46 1e9p n LEU 65 N -3.24 2.70 -3.78 1.56 4.77 -1.26 -4.98 117.00 112.77 1e9p n LEU 65 Ca -0.01 -1.17 -0.24 0.00 -0.03 0.00 0.00 56.01 54.57 1e9p n LEU 65 Cb 0.25 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1e9p n LEU 65 CO 0.27 0.58 -0.13 -1.20 -1.33 0.00 0.00 177.39 175.58 1e9p n SER 66 N 1.00 -1.40 -4.91 -1.43 7.64 -0.83 -5.01 113.62 108.70 1e9p n SER 66 Ca 0.18 -0.91 -0.23 0.00 1.01 0.00 0.00 58.87 58.92 1e9p n SER 66 Cb 0.48 -3.65 -0.01 0.00 -1.01 0.00 0.00 64.21 60.03 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 -6.15 2.38 0.55 1.43 1.02 -1.26 -5.13 119.74 112.58 1e9p s LYS 67 Ca 0.06 -1.76 -0.04 0.00 0.02 0.00 0.00 55.97 54.25 1e9p s LYS 67 Cb -0.02 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.01 1e9p s LYS 67 CO 0.84 -0.46 0.84 0.15 -0.92 0.00 0.00 175.35 175.80 1e9p s LYS 68 N -4.26 2.95 0.50 1.68 1.02 -1.26 -4.74 119.74 115.63 1e9p s LYS 68 Ca 0.44 -0.15 -0.21 0.00 0.02 0.00 0.00 55.97 56.07 1e9p s LYS 68 Cb -0.03 -2.35 -0.06 0.00 -0.52 0.00 0.00 37.83 34.87 1e9p s LYS 68 CO 0.27 -0.59 1.17 -1.58 -0.92 0.00 0.00 175.35 173.70 1e9p s HIS 69 N -2.87 2.72 0.00 3.18 5.65 -0.22 -3.34 115.29 120.41 1e9p s HIS 69 Ca 0.52 1.52 0.00 0.00 0.25 0.00 0.00 55.06 57.36 1e9p s HIS 69 Cb -0.10 -3.40 0.00 0.00 -1.18 0.00 0.00 32.58 27.90 1e9p s HIS 69 CO 0.43 -1.70 0.00 0.41 -0.65 0.00 0.00 174.74 173.23 1e9p n GLY 70 N 0.39 2.40 3.96 1.59 0.00 -1.25 -4.31 105.19 107.97 1e9p n GLY 70 Ca 0.09 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.85 1.70 0.55 -0.02 0.00 -1.22 -4.61 107.32 102.86 1e9p s GLY 71 Ca 0.00 -1.20 0.23 0.00 0.00 0.00 0.00 44.72 43.75 1e9p s GLY 71 CO 0.00 -0.97 2.12 -0.56 0.00 0.00 0.00 173.10 173.69 1e9p h PRO 72 N 0.23 0.00 -0.01 2.90 0.13 -1.88 -2.11 132.00 131.26 1e9p h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1e9p h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1e9p h PRO 72 CO 0.55 0.00 -0.11 0.43 -0.23 0.00 0.00 178.00 178.63 1e9p n SER 73 N -4.26 1.02 -4.86 1.44 7.64 -1.26 -4.92 113.62 108.42 1e9p n SER 73 Ca 0.01 -1.07 -0.31 0.00 1.01 0.00 0.00 58.87 58.51 1e9p n SER 73 Cb 0.25 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.44 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 -2.27 6.63 0.10 6.43 1.01 -0.79 -4.98 116.67 122.79 1e9p s ASP 74 Ca 0.32 1.32 -0.10 0.00 0.71 0.00 0.00 52.55 54.80 1e9p s ASP 74 Cb 0.20 -2.40 -0.16 0.00 1.01 0.00 0.00 42.92 41.58 1e9p s ASP 74 CO 0.43 -0.40 1.26 -0.78 0.21 0.00 0.00 175.17 175.88 1e9p h ASP 75 N 1.42 0.77 -2.79 0.27 3.58 -1.91 -3.38 116.42 114.38 1e9p h ASP 75 Ca -0.47 -0.59 -0.68 0.00 0.42 0.00 0.00 57.03 55.70 1e9p h ASP 75 Cb 1.18 -0.23 -0.18 0.00 1.72 0.00 0.00 39.33 41.82 1e9p h ASP 75 CO 0.63 1.39 0.36 -0.70 -2.88 0.00 0.00 179.24 178.05 1e9p s GLU 76 N -3.38 3.17 0.20 0.28 2.56 -1.26 -4.96 118.70 115.32 1e9p s GLU 76 Ca -0.08 -1.28 -0.16 0.00 0.00 0.00 0.00 54.97 53.44 1e9p s GLU 76 Cb 0.08 -4.36 0.02 0.00 2.00 0.00 0.00 34.13 31.87 1e9p s GLU 76 CO 0.90 -1.66 0.50 -0.98 -0.56 0.00 0.00 175.26 173.46 1e9p s ARG 77 N 3.02 1.39 0.50 4.30 1.70 -1.22 -3.76 118.95 124.87 1e9p s ARG 77 Ca 0.18 -0.96 -0.14 0.00 -0.47 0.00 0.00 55.73 54.35 1e9p s ARG 77 Cb -0.18 0.50 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 1e9p s ARG 77 CO 0.04 -0.58 0.92 -1.01 -1.08 0.00 0.00 175.30 173.59 1e9p s HIS 78 N -3.90 3.48 0.40 5.89 3.76 -1.21 -4.70 115.29 119.01 1e9p s HIS 78 Ca 0.12 1.30 0.07 0.00 -0.15 0.00 0.00 55.06 56.40 1e9p s HIS 78 Cb -0.01 -2.67 0.84 0.00 1.11 0.00 0.00 32.58 31.85 1e9p s HIS 78 CO -0.01 -0.33 2.03 0.28 -0.85 0.00 0.00 174.74 175.87 1e9p h VAL 79 N 0.79 1.08 0.00 -0.90 2.07 -1.85 -1.86 116.25 115.57 1e9p h VAL 79 Ca -0.47 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1e9p h VAL 79 Cb 1.19 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1e9p h VAL 79 CO 0.62 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.93 1e9p n GLY 80 N -1.47 -0.85 3.53 2.17 0.00 -0.62 -4.57 105.19 103.37 1e9p n GLY 80 Ca 0.05 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.90 6.47 -0.08 1.61 1.01 -0.70 -0.87 116.67 122.21 1e9p s ASP 81 Ca 0.36 -1.45 0.19 0.00 0.71 0.00 0.00 52.55 52.36 1e9p s ASP 81 Cb 0.17 -2.52 0.67 0.00 1.01 0.00 0.00 42.92 42.24 1e9p s ASP 81 CO 0.28 -1.44 1.57 0.18 0.21 0.00 0.00 175.17 175.97 1e9p n LEU 82 N 8.36 4.33 0.00 1.23 4.32 -1.10 -3.64 117.00 130.49 1e9p n LEU 82 Ca 0.26 -2.18 0.00 0.00 -0.02 0.00 0.00 56.01 54.07 1e9p n LEU 82 Cb 0.50 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1e9p n LEU 82 CO 0.63 0.82 0.00 0.61 -1.22 0.00 0.00 177.39 178.23 1e9p n GLY 83 N 1.26 0.35 3.36 -0.72 0.00 -1.23 -4.82 105.19 103.40 1e9p n GLY 83 Ca 0.24 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 3.06 0.12 1.61 0.01 -1.26 -0.59 114.94 113.89 1e9p s ASN 84 Ca 0.00 -0.76 0.05 0.00 -0.71 0.00 0.00 52.86 51.44 1e9p s ASN 84 Cb 0.00 -0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 1e9p s ASN 84 CO 0.00 0.12 0.00 0.68 -1.51 0.00 0.00 177.10 176.39 1e9p s VAL 85 N -1.28 3.95 -0.17 1.60 -7.23 -0.37 -4.91 120.40 111.99 1e9p s VAL 85 Ca 0.13 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 1e9p s VAL 85 Cb -0.09 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.93 1e9p s VAL 85 CO 0.06 0.05 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.86 1e9p s THR 86 N -1.43 2.56 0.01 5.32 2.01 -1.26 -0.78 115.64 122.07 1e9p s THR 86 Ca 0.26 -0.79 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 1e9p s THR 86 Cb -0.11 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 1e9p s THR 86 CO 0.19 0.51 0.34 0.00 -0.69 0.00 0.00 174.62 174.97 1e9p s ALA 87 N 1.02 3.76 0.85 7.40 0.00 0.46 -4.24 121.76 131.01 1e9p s ALA 87 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1e9p s ALA 87 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1e9p s ALA 87 CO -0.04 0.56 0.00 -0.40 0.00 0.00 0.00 175.76 175.88 1e9p n ASP 88 N 1.42 0.00 0.28 0.00 5.68 0.34 -1.77 116.55 122.51 1e9p n ASP 88 Ca -0.12 -0.80 0.16 0.00 -0.50 0.00 0.00 54.79 53.53 1e9p n ASP 88 Cb 0.53 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 41.34 1e9p n ASP 88 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1e9p h LYS 89 N 0.00 0.00 -0.11 0.11 5.09 -1.97 -1.21 116.57 118.48 1e9p h LYS 89 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1e9p h LYS 89 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1e9p h LYS 89 CO 0.00 0.06 0.00 0.09 -2.09 0.00 0.00 179.45 177.51 1e9p n ASN 90 N -3.35 1.86 0.00 7.07 5.03 -1.26 -4.84 115.26 119.77 1e9p n ASN 90 Ca -0.01 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.76 1e9p n ASN 90 Cb 0.22 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1e9p n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1e9p n GLY 91 N 1.20 0.60 3.69 7.41 0.00 -0.46 -4.72 105.19 112.91 1e9p n GLY 91 Ca 0.17 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 5.22 -0.15 1.61 1.01 -1.26 -1.95 120.40 122.88 1e9p s VAL 92 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 1e9p s VAL 92 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1e9p s VAL 92 CO 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 175.10 175.40 1e9p s ALA 93 N 0.43 2.56 -0.18 5.51 0.00 0.43 -0.50 121.76 130.00 1e9p s ALA 93 Ca 0.07 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 1e9p s ALA 93 Cb -0.12 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 1e9p s ALA 93 CO -0.01 0.03 0.30 0.42 0.00 0.00 0.00 175.76 176.49 1e9p s ILE 94 N 0.72 5.29 -0.17 0.00 -1.09 -1.26 -1.24 121.20 123.46 1e9p s ILE 94 Ca -0.06 0.53 -0.11 0.00 -2.23 0.00 0.00 60.65 58.78 1e9p s ILE 94 Cb -0.15 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1e9p s ILE 94 CO 0.01 0.35 0.21 -0.69 -1.23 0.00 0.00 174.94 173.60 1e9p s VAL 95 N 0.72 5.37 -0.40 2.92 1.01 0.81 -4.76 120.40 126.05 1e9p s VAL 95 Ca 0.16 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1e9p s VAL 95 Cb -0.13 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 32.88 1e9p s VAL 95 CO 0.05 0.45 0.52 -0.62 0.00 0.00 0.00 175.10 175.50 1e9p s ASP 96 N 0.16 -0.34 0.03 3.32 2.15 -1.24 -2.48 116.67 118.27 1e9p s ASP 96 Ca 0.13 -1.23 0.06 0.00 0.43 0.00 0.00 52.55 51.94 1e9p s ASP 96 Cb -0.12 1.32 -0.02 0.00 -0.30 0.00 0.00 42.92 43.80 1e9p s ASP 96 CO 0.02 -0.20 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.03 1e9p s ILE 97 N 1.57 1.29 -0.09 4.11 1.01 0.23 -5.00 121.20 124.33 1e9p s ILE 97 Ca 0.18 -1.01 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1e9p s ILE 97 Cb -0.08 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1e9p s ILE 97 CO -0.05 0.11 -0.21 -0.69 0.00 0.00 0.00 174.94 174.10 1e9p s VAL 98 N -0.77 1.79 -0.01 2.92 1.01 -1.26 0.14 120.40 124.21 1e9p s VAL 98 Ca 0.04 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1e9p s VAL 98 Cb -0.08 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 1e9p s VAL 98 CO 0.01 0.50 -0.10 -0.62 0.00 0.00 0.00 175.10 174.89 1e9p s ASP 99 N 0.38 1.25 0.00 3.32 2.15 -0.88 -5.01 116.67 117.88 1e9p s ASP 99 Ca -0.16 -0.19 0.26 0.00 0.43 0.00 0.00 52.55 52.89 1e9p s ASP 99 Cb -0.17 -0.20 0.70 0.00 -0.30 0.00 0.00 42.92 42.95 1e9p s ASP 99 CO 0.07 0.11 1.53 -0.81 -0.17 0.00 0.00 175.17 175.90 1e9p n PRO 100 N 2.97 1.14 -0.09 4.34 -0.04 -1.26 -3.57 135.00 138.50 1e9p n PRO 100 Ca -0.15 -0.73 -0.10 0.00 -0.04 0.00 0.00 63.50 62.48 1e9p n PRO 100 Cb 0.56 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 32.42 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 -0.29 1.24 -4.82 1.53 4.77 -1.26 -4.98 117.00 113.18 1e9p n LEU 101 Ca 0.13 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.76 1e9p n LEU 101 Cb 0.38 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.46 1e9p n LEU 101 CO 0.24 0.57 0.71 0.27 -1.33 0.00 0.00 177.39 177.85 1e9p s ILE 102 N -2.38 3.85 0.27 -0.08 -4.36 -1.26 -4.87 121.20 112.37 1e9p s ILE 102 Ca -0.16 0.60 -0.04 0.00 -0.26 0.00 0.00 60.65 60.80 1e9p s ILE 102 Cb 0.06 -3.35 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 1e9p s ILE 102 CO 0.56 -0.79 0.34 -0.55 0.24 0.00 0.00 174.94 174.74 1e9p s SER 103 N -3.83 0.45 0.00 4.36 0.15 -0.92 -4.66 113.70 109.25 1e9p s SER 103 Ca 0.58 -1.32 0.09 0.00 0.70 0.00 0.00 55.95 56.00 1e9p s SER 103 Cb -0.14 0.53 0.22 0.00 -1.71 0.00 0.00 66.02 64.93 1e9p s SER 103 CO 0.55 -1.07 1.15 0.18 1.20 0.00 0.00 173.24 175.25 1e9p n LEU 104 N -0.42 2.62 -3.62 3.45 4.77 -1.26 -1.56 117.00 120.97 1e9p n LEU 104 Ca 0.01 -1.88 -0.16 0.00 -0.03 0.00 0.00 56.01 53.95 1e9p n LEU 104 Cb 0.63 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 1e9p n LEU 104 CO 0.29 0.64 0.29 -0.55 -1.33 0.00 0.00 177.39 176.73 1e9p s SER 105 N -0.97 -0.53 0.00 -1.43 0.15 -1.26 -4.01 113.70 105.65 1e9p s SER 105 Ca 0.18 0.70 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1e9p s SER 105 Cb 0.09 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1e9p s SER 105 CO 0.12 -0.45 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1e9p n GLY 106 N 1.54 -1.80 0.30 9.45 0.00 -1.26 -4.10 105.19 109.33 1e9p n GLY 106 Ca -0.18 -1.66 0.08 0.00 0.00 0.00 0.00 46.02 44.26 1e9p n GLY 106 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1e9p h GLU 107 N 0.00 0.25 -0.63 1.61 4.22 -2.00 -1.40 114.58 116.61 1e9p h GLU 107 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 1e9p h GLU 107 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1e9p h GLU 107 CO 0.00 0.16 0.00 0.66 -2.18 0.00 0.00 179.01 177.65 1e9p n TYR 108 N -4.50 1.14 -1.81 0.92 4.01 -1.26 -4.97 117.16 110.70 1e9p n TYR 108 Ca 0.02 -0.48 -0.41 0.00 -0.16 0.00 0.00 57.90 56.86 1e9p n TYR 108 Cb 0.15 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1e9p n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1e9p s SER 109 N -0.88 6.40 0.00 7.72 0.15 -0.53 -2.16 113.70 124.40 1e9p s SER 109 Ca 0.43 2.94 0.19 0.00 0.70 0.00 0.00 55.95 60.22 1e9p s SER 109 Cb 0.26 -2.64 0.19 0.00 -1.71 0.00 0.00 66.02 62.12 1e9p s SER 109 CO 0.23 -0.88 1.15 2.30 1.20 0.00 0.00 173.24 177.24 1e9p n ILE 110 N 1.77 0.09 -1.76 6.45 -5.35 -0.60 -4.89 119.36 115.07 1e9p n ILE 110 Ca 0.06 -0.55 -0.42 0.00 -0.27 0.00 0.00 62.75 61.58 1e9p n ILE 110 Cb 0.38 1.32 -0.03 0.00 -1.74 0.00 0.00 39.64 39.58 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 -1.56 2.08 0.00 7.28 -1.09 -1.26 -1.59 121.20 125.06 1e9p s ILE 111 Ca 0.24 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1e9p s ILE 111 Cb 0.17 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 38.01 1e9p s ILE 111 CO 0.25 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 1e9p n GLY 112 N 3.46 0.73 1.03 6.18 0.00 0.14 -4.99 105.19 111.75 1e9p n GLY 112 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.42 1.16 -5.23 1.61 1.74 -0.62 -2.49 116.66 110.41 1e9p n ARG 113 Ca 0.00 -0.90 -0.32 0.00 -0.77 0.00 0.00 57.85 55.86 1e9p n ARG 113 Cb 0.00 0.05 -0.17 0.00 -1.02 0.00 0.00 32.46 31.32 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 -0.49 2.04 -0.04 0.55 2.01 -1.05 -0.72 115.64 117.94 1e9p s THR 114 Ca 0.11 -1.03 -0.18 0.00 0.31 0.00 0.00 61.69 60.90 1e9p s THR 114 Cb -0.01 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 1e9p s THR 114 CO 0.07 0.56 0.49 -0.32 -0.69 0.00 0.00 174.62 174.73 1e9p s MET 115 N 0.13 4.20 -0.02 4.92 1.75 -0.48 -0.14 119.30 129.66 1e9p s MET 115 Ca -0.12 0.52 0.05 0.00 -1.25 0.00 0.00 55.69 54.89 1e9p s MET 115 Cb -0.16 -3.33 -0.01 0.00 2.84 0.00 0.00 34.83 34.16 1e9p s MET 115 CO 0.07 0.41 -0.18 0.08 -0.65 0.00 0.00 175.02 174.75 1e9p s VAL 116 N -0.24 1.44 -0.11 10.11 1.01 -0.02 -2.03 120.40 130.56 1e9p s VAL 116 Ca 0.26 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1e9p s VAL 116 Cb -0.17 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 1e9p s VAL 116 CO 0.13 0.41 -0.13 0.54 0.00 0.00 0.00 175.10 176.05 1e9p s VAL 117 N -0.35 3.07 0.33 2.92 0.11 -0.67 -1.86 120.40 123.94 1e9p s VAL 117 Ca 0.05 -0.67 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1e9p s VAL 117 Cb -0.08 -2.27 -0.02 0.00 -1.53 0.00 0.00 36.38 32.49 1e9p s VAL 117 CO -0.00 0.54 0.38 -1.00 -3.33 0.00 0.00 175.10 171.69 1e9p s HIS 118 N 0.10 3.03 0.15 1.54 3.76 -0.19 -1.04 115.29 122.65 1e9p s HIS 118 Ca -0.06 -0.25 -0.10 0.00 -0.15 0.00 0.00 55.06 54.51 1e9p s HIS 118 Cb -0.15 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 1e9p s HIS 118 CO 0.05 0.10 1.51 1.05 -0.85 0.00 0.00 174.74 176.59 1e9p h GLU 119 N 1.07 0.95 -5.94 1.40 4.11 -0.90 -3.37 114.58 111.90 1e9p h GLU 119 Ca -0.46 -0.46 -0.59 0.00 0.07 0.00 0.00 59.36 57.92 1e9p h GLU 119 Cb 1.25 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 1e9p h GLU 119 CO 0.56 1.13 -0.59 0.15 0.07 0.00 0.00 179.01 180.32 1e9p s LYS 120 N -4.49 2.08 0.55 1.06 -0.14 -0.21 -4.87 119.74 113.72 1e9p s LYS 120 Ca -0.11 -1.83 -0.21 0.00 -1.36 0.00 0.00 55.97 52.46 1e9p s LYS 120 Cb 0.12 -1.89 -0.05 0.00 -1.68 0.00 0.00 37.83 34.33 1e9p s LYS 120 CO 0.88 0.06 1.36 -2.14 -0.76 0.00 0.00 175.35 174.75 1e9p s PRO 121 N -3.75 3.09 -0.08 -1.68 0.02 -1.08 -1.28 135.00 130.24 1e9p s PRO 121 Ca 0.36 2.24 -0.21 0.00 0.02 0.00 0.00 61.00 63.40 1e9p s PRO 121 Cb 0.02 -2.23 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1e9p s PRO 121 CO 0.20 -1.23 0.61 0.34 -0.33 0.00 0.00 177.00 176.59 1e9p s ASP 122 N -0.97 6.87 0.00 2.53 -1.08 -1.26 -4.12 116.67 118.65 1e9p s ASP 122 Ca 0.72 1.05 0.10 0.00 -0.52 0.00 0.00 52.55 53.90 1e9p s ASP 122 Cb -0.41 -2.36 0.36 0.00 -1.46 0.00 0.00 42.92 39.05 1e9p s ASP 122 CO 0.48 -0.06 1.27 -0.90 0.52 0.00 0.00 175.17 176.48 1e9p n ASP 123 N 3.67 1.19 -2.16 -0.34 5.68 -0.14 -4.89 116.55 119.56 1e9p n ASP 123 Ca -0.04 -1.91 -0.20 0.00 -0.50 0.00 0.00 54.79 52.14 1e9p n ASP 123 Cb 0.51 -0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.33 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 0.11 -1.83 -0.01 -2.12 7.99 -1.26 -2.32 117.00 117.56 1e9p n LEU 124 Ca 0.09 0.09 -0.00 0.00 -0.01 0.00 0.00 56.01 56.18 1e9p n LEU 124 Cb 0.20 -2.86 -0.00 0.00 -0.11 0.00 0.00 43.42 40.65 1e9p n LEU 124 CO 0.07 -0.39 -0.00 0.61 -1.51 0.00 0.00 177.39 176.17 1e9p n GLY 125 N -0.91 0.48 0.77 -0.72 0.00 -1.25 -3.45 105.19 100.11 1e9p n GLY 125 Ca -0.23 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.86 2.89 0.21 1.61 1.74 -0.98 -4.63 116.66 114.64 1e9p n ARG 126 Ca -0.00 -2.53 0.13 0.00 -0.77 0.00 0.00 57.85 54.68 1e9p n ARG 126 Cb 0.02 -1.62 0.35 0.00 -1.02 0.00 0.00 32.46 30.19 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 1.82 0.00 0.00 -0.13 0.00 -1.90 -3.48 103.07 99.39 1e9p h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 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 0.82 0.77 3.75 4.60 0.00 -1.26 -5.02 105.19 108.85 1e9p n GLY 128 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.66 4.33 0.28 1.61 2.20 -1.26 -5.03 114.94 114.41 1e9p s ASN 129 Ca 0.00 -1.23 -0.01 0.00 -0.94 0.00 0.00 52.86 50.68 1e9p s ASN 129 Cb 0.00 -0.20 0.39 0.00 -2.00 0.00 0.00 41.25 39.44 1e9p s ASN 129 CO 0.00 -0.65 1.82 -0.08 -2.94 0.00 0.00 177.10 175.25 1e9p h GLU 130 N 1.37 0.84 -0.54 3.55 4.81 -2.01 -2.66 114.58 119.94 1e9p h GLU 130 Ca -0.42 -0.17 0.06 0.00 -0.13 0.00 0.00 59.36 58.70 1e9p h GLU 130 Cb 1.27 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1e9p h GLU 130 CO 0.70 0.76 0.36 1.49 -0.73 0.00 0.00 179.01 181.59 1e9p h GLU 131 N 0.81 0.46 -0.61 1.92 4.57 -2.00 -1.70 114.58 118.03 1e9p h GLU 131 Ca 0.18 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1e9p h GLU 131 Cb 0.30 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1e9p h GLU 131 CO -0.00 0.31 0.36 1.03 -1.18 0.00 0.00 179.01 179.52 1e9p h SER 132 N 0.48 0.73 0.55 1.04 0.87 -1.81 -0.11 113.55 115.29 1e9p h SER 132 Ca 0.24 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1e9p h SER 132 Cb 0.32 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1e9p h SER 132 CO -0.06 0.57 0.00 0.35 -0.53 0.00 0.00 176.83 177.15 1e9p n THR 133 N -4.41 0.21 -0.07 2.23 -2.24 -0.64 -1.79 114.28 107.57 1e9p n THR 133 Ca 0.06 0.05 -0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1e9p n THR 133 Cb 0.08 -0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 1e9p n THR 133 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1e9p n SER 134 N -1.33 1.15 0.00 3.42 7.64 -0.73 -1.06 113.62 122.71 1e9p n SER 134 Ca 0.11 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1e9p n SER 134 Cb 0.22 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1e9p n SER 134 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1e9p n THR 135 N -3.73 0.00 -1.32 0.44 -2.24 -0.13 -4.66 114.28 102.64 1e9p n THR 135 Ca -0.25 -0.31 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1e9p n THR 135 Cb 0.63 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 70.20 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 0.00 1.21 2.98 3.38 0.00 -0.74 -2.80 105.19 109.22 1e9p n GLY 136 Ca 0.00 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.35 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 0.06 -5.54 0.01 1.61 3.02 -1.25 -0.96 115.26 112.21 1e9p n ASN 137 Ca -0.11 -0.25 0.14 0.00 -0.03 0.00 0.00 54.58 54.33 1e9p n ASN 137 Cb 0.38 -4.51 0.58 0.00 -0.61 0.00 0.00 39.78 35.61 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 -3.30 2.39 -0.26 5.41 0.00 -1.12 -4.75 120.51 118.88 1e9p n ALA 138 Ca -0.11 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1e9p n ALA 138 Cb 0.61 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 1.48 -0.48 3.73 0.00 0.00 -1.26 -1.05 105.19 107.62 1e9p n GLY 139 Ca 0.07 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 1e9p n GLY 139 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1e9p s SER 140 N -4.00 3.81 -0.46 1.61 1.04 -1.26 -4.63 113.70 109.81 1e9p s SER 140 Ca 0.00 1.99 -0.19 0.00 0.48 0.00 0.00 55.95 58.23 1e9p s SER 140 Cb 0.00 -2.54 0.04 0.00 0.10 0.00 0.00 66.02 63.62 1e9p s SER 140 CO 0.00 -2.50 0.56 -0.13 0.98 0.00 0.00 173.24 172.14 1e9p s ARG 141 N -4.79 3.14 0.10 4.02 0.52 -1.26 -0.73 118.95 119.94 1e9p s ARG 141 Ca 0.64 -0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 55.00 1e9p s ARG 141 Cb -0.20 -4.03 -0.19 0.00 0.52 0.00 0.00 34.95 31.06 1e9p s ARG 141 CO 0.57 -1.05 1.22 -0.07 0.02 0.00 0.00 175.30 175.98 1e9p h LEU 142 N 9.45 0.65 -7.23 2.53 3.38 -1.39 -3.47 115.31 119.22 1e9p h LEU 142 Ca -0.27 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.10 1e9p h LEU 142 Cb 1.10 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.52 1e9p h LEU 142 CO 0.89 1.38 0.04 0.00 0.09 0.00 0.00 178.44 180.84 1e9p s ALA 143 N -3.11 -1.21 0.20 1.53 0.00 -1.20 -4.21 121.76 113.75 1e9p s ALA 143 Ca -0.07 0.21 -0.23 0.00 0.00 0.00 0.00 51.96 51.88 1e9p s ALA 143 Cb 0.08 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.97 1e9p s ALA 143 CO 0.89 -0.67 0.77 0.00 0.00 0.00 0.00 175.76 176.75 1e9p s GLY 145 N -2.86 -0.55 0.14 0.00 0.00 -0.86 -1.36 107.32 101.84 1e9p s GLY 145 Ca 0.09 0.79 -0.25 0.00 0.00 0.00 0.00 44.72 45.35 1e9p s GLY 145 CO 0.01 0.31 0.77 0.14 0.00 0.00 0.00 173.10 174.33 1e9p s VAL 146 N -3.25 4.43 -0.23 1.40 1.01 -1.26 -1.38 120.40 121.11 1e9p s VAL 146 Ca 0.02 1.69 -0.26 0.00 0.00 0.00 0.00 61.98 63.43 1e9p s VAL 146 Cb -0.01 -4.14 -0.00 0.00 0.00 0.00 0.00 36.38 32.23 1e9p s VAL 146 CO -0.09 0.50 0.89 -0.63 0.00 0.00 0.00 175.10 175.77 1e9p s ILE 147 N -0.95 4.79 0.34 2.22 1.01 0.10 -4.56 121.20 124.15 1e9p s ILE 147 Ca 0.36 1.71 0.09 0.00 0.00 0.00 0.00 60.65 62.82 1e9p s ILE 147 Cb -0.23 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.00 1e9p s ILE 147 CO 0.26 -0.10 -0.10 -0.83 0.00 0.00 0.00 174.94 174.17 1e9p s GLY 148 N 1.29 2.16 0.18 6.18 0.00 0.06 -0.69 107.32 116.51 1e9p s GLY 148 Ca 0.38 -2.07 -0.30 0.00 0.00 0.00 0.00 44.72 42.72 1e9p s GLY 148 CO 0.07 -2.02 1.23 -0.42 0.00 0.00 0.00 173.10 171.97 1e9p s ILE 149 N -2.64 3.48 0.29 0.90 1.01 -1.26 -0.68 121.20 122.29 1e9p s ILE 149 Ca 0.32 1.22 0.11 0.00 0.00 0.00 0.00 60.65 62.30 1e9p s ILE 149 Cb 0.02 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1e9p s ILE 149 CO 0.16 0.19 -0.10 0.00 0.00 0.00 0.00 174.94 175.19 1e9p s ALA 150 N 0.07 2.97 -2.00 9.38 0.00 -0.70 -4.79 121.76 126.68 1e9p s ALA 150 Ca 0.54 -1.82 0.26 0.00 0.00 0.00 0.00 51.96 50.95 1e9p s ALA 150 Cb -0.34 -0.45 1.56 0.00 0.00 0.00 0.00 23.12 23.90 1e9p s ALA 150 CO 0.37 0.24 1.92 -1.13 0.00 0.00 0.00 175.76 177.15