#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3sod n THR 2 N 0.00 0.66 -3.84 0.00 -1.04 -1.26 -4.40 114.28 104.40 3sod n THR 2 Ca 0.00 -0.40 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 3sod n THR 2 Cb 0.00 -0.75 -0.10 0.00 -1.82 0.00 0.00 70.33 67.65 3sod n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3sod s LYS 3 N -2.23 0.45 0.22 -2.82 2.20 -1.26 -2.25 119.74 114.05 3sod s LYS 3 Ca -0.05 -0.21 -0.05 0.00 -0.36 0.00 0.00 55.97 55.30 3sod s LYS 3 Cb 0.03 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 3sod s LYS 3 CO 0.39 -0.10 0.26 0.00 -0.36 0.00 0.00 175.35 175.53 3sod s ALA 4 N -1.02 0.70 -0.13 3.13 0.00 -1.04 -2.62 121.76 120.78 3sod s ALA 4 Ca -0.11 -1.43 -0.20 0.00 0.00 0.00 0.00 51.96 50.22 3sod s ALA 4 Cb -0.06 1.28 0.05 0.00 0.00 0.00 0.00 23.12 24.39 3sod s ALA 4 CO 0.02 -0.68 0.52 0.54 0.00 0.00 0.00 175.76 176.15 3sod s VAL 5 N -4.08 0.01 -0.05 0.00 0.11 0.15 -2.25 120.40 114.28 3sod s VAL 5 Ca 0.33 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.34 3sod s VAL 5 Cb 0.04 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3sod s VAL 5 CO 0.11 -0.06 -0.24 0.00 -3.33 0.00 0.00 175.10 171.59 3sod s ALA 6 N -0.39 2.05 -0.36 1.54 0.00 0.51 -1.54 121.76 123.57 3sod s ALA 6 Ca -0.05 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 50.81 3sod s ALA 6 Cb -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3sod s ALA 6 CO 0.04 0.40 0.20 0.08 0.00 0.00 0.00 175.76 176.47 3sod s VAL 7 N -0.16 4.55 -0.08 0.00 1.01 -1.26 -2.52 120.40 121.94 3sod s VAL 7 Ca -0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 3sod s VAL 7 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3sod s VAL 7 CO 0.03 -0.19 0.62 -0.76 0.00 0.00 0.00 175.10 174.80 3sod s LEU 8 N 1.56 4.31 0.03 3.92 1.02 0.32 -4.14 118.68 125.70 3sod s LEU 8 Ca 0.02 1.06 -0.08 0.00 0.02 0.00 0.00 54.13 55.15 3sod s LEU 8 Cb -0.19 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.08 3sod s LEU 8 CO 0.06 -0.07 0.16 -0.75 0.02 0.00 0.00 176.35 175.78 3sod s LYS 9 N 0.71 0.62 0.25 1.70 2.36 -1.15 -2.42 119.74 121.80 3sod s LYS 9 Ca 0.33 -0.59 -0.01 0.00 -2.55 0.00 0.00 55.97 53.15 3sod s LYS 9 Cb -0.17 0.26 0.00 0.00 -1.05 0.00 0.00 37.83 36.87 3sod s LYS 9 CO 0.15 -0.17 0.33 0.41 1.55 0.00 0.00 175.35 177.63 3sod n GLY 10 N 0.89 2.48 0.40 5.54 0.00 -1.26 -2.28 105.19 110.95 3sod n GLY 10 Ca -0.20 -1.57 0.10 0.00 0.00 0.00 0.00 46.02 44.36 3sod n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3sod n ASP 11 N -1.80 1.20 -4.35 1.61 5.75 -1.26 -4.85 116.55 112.85 3sod n ASP 11 Ca 0.01 -1.62 -0.24 0.00 -0.01 0.00 0.00 54.79 52.93 3sod n ASP 11 Cb 0.41 -0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3sod n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3sod n GLY 12 N 1.04 3.11 0.20 6.12 0.00 -1.26 -5.07 105.19 109.33 3sod n GLY 12 Ca 0.16 -2.30 0.15 0.00 0.00 0.00 0.00 46.02 44.02 3sod n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3sod h PRO 13 N 0.00 0.00 -6.80 1.61 0.11 -1.89 -3.46 132.00 121.58 3sod h PRO 13 Ca -0.32 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.27 3sod h PRO 13 Cb 1.08 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.23 3sod h PRO 13 CO 0.51 0.00 0.60 0.08 -0.21 0.00 0.00 178.00 178.98 3sod s VAL 14 N -3.56 3.07 0.14 3.15 1.01 -1.26 -4.50 120.40 118.44 3sod s VAL 14 Ca 0.01 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 62.75 3sod s VAL 14 Cb 0.09 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.90 3sod s VAL 14 CO 0.40 0.21 0.69 0.00 0.00 0.00 0.00 175.10 176.40 3sod s GLN 15 N -1.16 1.25 0.00 2.72 -2.07 -0.94 -4.00 119.66 115.45 3sod s GLN 15 Ca 0.50 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.53 3sod s GLN 15 Cb -0.37 0.54 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 3sod s GLN 15 CO 0.45 -0.55 0.00 0.41 -1.32 0.00 0.00 175.29 174.28 3sod n GLY 16 N -0.37 0.77 3.10 2.60 0.00 -1.02 -1.34 105.19 108.94 3sod n GLY 16 Ca -0.13 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 3sod n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3sod s THR 17 N -2.00 1.68 -0.13 2.61 2.01 -0.70 -0.52 115.64 118.59 3sod s THR 17 Ca 0.00 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.23 3sod s THR 17 Cb 0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 72.50 70.98 3sod s THR 17 CO 0.00 0.48 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.68 3sod s ILE 18 N 0.89 3.38 0.07 1.82 -1.09 -1.05 -2.47 121.20 122.75 3sod s ILE 18 Ca -0.08 -0.55 0.06 0.00 -2.23 0.00 0.00 60.65 57.85 3sod s ILE 18 Cb -0.15 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 3sod s ILE 18 CO -0.01 0.52 -0.11 -1.00 -1.23 0.00 0.00 174.94 173.12 3sod s HIS 19 N 0.19 2.74 -0.01 3.97 3.76 0.70 -0.36 115.29 126.28 3sod s HIS 19 Ca -0.05 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.73 3sod s HIS 19 Cb -0.15 -1.48 -0.00 0.00 1.11 0.00 0.00 32.58 32.06 3sod s HIS 19 CO 0.04 0.38 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.19 3sod s PHE 20 N -1.10 0.57 -0.05 1.40 0.40 -0.96 -1.53 117.98 116.71 3sod s PHE 20 Ca 0.19 -0.11 -0.03 0.00 -0.60 0.00 0.00 56.93 56.38 3sod s PHE 20 Cb -0.11 -0.37 0.02 0.00 0.51 0.00 0.00 43.02 43.08 3sod s PHE 20 CO 0.10 -0.01 0.12 -2.00 0.70 0.00 0.00 175.22 174.13 3sod s GLU 21 N -0.13 0.10 -0.03 0.44 2.12 0.22 -2.51 118.70 118.91 3sod s GLU 21 Ca 0.02 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.29 3sod s GLU 21 Cb -0.03 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.27 3sod s GLU 21 CO -0.00 -0.08 1.30 0.00 -0.54 0.00 0.00 175.26 175.93 3sod s ALA 22 N 0.56 3.54 -0.35 6.30 0.00 -0.95 -0.29 121.76 130.58 3sod s ALA 22 Ca -0.04 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.69 3sod s ALA 22 Cb -0.06 -3.55 0.16 0.00 0.00 0.00 0.00 23.12 19.67 3sod s ALA 22 CO -0.02 -0.84 0.42 0.15 0.00 0.00 0.00 175.76 175.46 3sod s LYS 23 N 2.32 0.58 6.21 0.00 -0.14 -1.02 -4.93 119.74 122.76 3sod s LYS 23 Ca 0.60 -0.44 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 3sod s LYS 23 Cb -0.28 -0.48 0.00 0.00 -1.68 0.00 0.00 37.83 35.39 3sod s LYS 23 CO 0.24 -1.14 0.00 0.41 -0.76 0.00 0.00 175.35 174.10 3sod n GLY 24 N 4.66 1.93 0.06 -3.33 0.00 -1.26 -2.14 105.19 105.11 3sod n GLY 24 Ca 0.07 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.76 3sod n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3sod n ASP 25 N 4.43 0.19 -4.74 1.61 5.75 -1.26 -4.92 116.55 117.61 3sod n ASP 25 Ca 0.00 -0.72 -0.24 0.00 -0.01 0.00 0.00 54.79 53.82 3sod n ASP 25 Cb 0.00 -0.09 -0.07 0.00 -1.03 0.00 0.00 41.12 39.93 3sod n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3sod s THR 26 N -2.24 2.65 -0.07 2.12 -4.23 -0.91 -4.74 115.64 108.22 3sod s THR 26 Ca 0.38 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 3sod s THR 26 Cb 0.21 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 71.07 3sod s THR 26 CO 0.41 -0.09 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.51 3sod s VAL 27 N -2.51 1.72 -0.18 2.29 1.01 0.16 -2.44 120.40 120.45 3sod s VAL 27 Ca 0.40 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3sod s VAL 27 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3sod s VAL 27 CO 0.23 0.49 0.02 -0.69 0.00 0.00 0.00 175.10 175.14 3sod s VAL 28 N 0.21 4.28 -0.15 2.92 1.01 0.61 -0.22 120.40 129.07 3sod s VAL 28 Ca -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 3sod s VAL 28 Cb -0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3sod s VAL 28 CO 0.05 0.46 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 3sod s VAL 29 N 0.57 3.07 0.26 2.92 1.01 -0.97 -0.61 120.40 126.65 3sod s VAL 29 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3sod s VAL 29 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3sod s VAL 29 CO 0.02 0.51 0.22 0.42 0.00 0.00 0.00 175.10 176.27 3sod s THR 30 N 0.59 0.00 -2.39 3.92 -4.23 -0.58 -2.46 115.64 110.48 3sod s THR 30 Ca -0.07 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 3sod s THR 30 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.19 3sod s THR 30 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3sod n GLY 31 N -0.43 0.66 3.19 3.99 0.00 -1.11 -0.21 105.19 111.29 3sod n GLY 31 Ca 0.04 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3sod n GLY 31 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3sod s SER 32 N -3.20 0.25 -0.05 1.61 1.04 -1.03 -1.63 113.70 110.69 3sod s SER 32 Ca 0.00 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.37 3sod s SER 32 Cb 0.00 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.47 3sod s SER 32 CO 0.00 -0.76 -0.04 -0.63 0.98 0.00 0.00 173.24 172.79 3sod s ILE 33 N -4.00 0.51 0.34 -1.02 1.01 -1.13 -1.73 121.20 115.17 3sod s ILE 33 Ca 0.20 -0.09 0.06 0.00 0.00 0.00 0.00 60.65 60.81 3sod s ILE 33 Cb 0.06 -0.55 -0.07 0.00 0.01 0.00 0.00 42.46 41.92 3sod s ILE 33 CO -0.01 0.23 -0.01 0.42 0.00 0.00 0.00 174.94 175.57 3sod s THR 34 N 1.02 1.66 0.00 2.92 -4.23 -0.45 -0.12 115.64 116.44 3sod s THR 34 Ca -0.10 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 3sod s THR 34 Cb -0.14 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.97 3sod s THR 34 CO -0.01 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3sod n GLY 35 N -0.74 0.49 3.84 3.99 0.00 -1.20 -2.22 105.19 109.35 3sod n GLY 35 Ca -0.04 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 3sod n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3sod s LEU 36 N 0.00 3.78 0.06 0.99 2.96 -1.04 -4.14 118.68 121.28 3sod s LEU 36 Ca 0.00 -0.31 -0.24 0.00 -0.22 0.00 0.00 54.13 53.36 3sod s LEU 36 Cb 0.00 -2.34 -0.06 0.00 0.50 0.00 0.00 46.19 44.29 3sod s LEU 36 CO 0.00 -0.14 0.72 0.28 -1.32 0.00 0.00 176.35 175.89 3sod s THR 37 N -2.18 4.70 0.11 3.68 -1.32 -1.26 -3.96 115.64 115.41 3sod s THR 37 Ca 0.36 1.54 -0.34 0.00 -1.21 0.00 0.00 61.69 62.04 3sod s THR 37 Cb -0.07 -4.07 -0.13 0.00 -1.51 0.00 0.00 72.50 66.71 3sod s THR 37 CO 0.26 0.41 1.64 1.21 -2.21 0.00 0.00 174.62 175.93 3sod n GLU 38 N 2.52 2.13 0.00 7.08 2.13 -1.26 -4.64 120.64 128.61 3sod n GLU 38 Ca -0.04 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.55 3sod n GLU 38 Cb 0.50 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.66 3sod n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3sod n GLY 39 N 3.60 0.36 3.83 8.31 0.00 -1.19 -4.93 105.19 115.17 3sod n GLY 39 Ca 0.18 -2.29 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 3sod n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3sod s ASP 40 N -4.00 6.90 -0.04 1.61 1.11 -1.26 -0.11 116.67 120.88 3sod s ASP 40 Ca 0.00 1.15 0.01 0.00 0.18 0.00 0.00 52.55 53.89 3sod s ASP 40 Cb 0.00 -2.32 0.02 0.00 1.07 0.00 0.00 42.92 41.69 3sod s ASP 40 CO 0.00 0.14 -0.05 -1.00 1.18 0.00 0.00 175.17 175.43 3sod s HIS 41 N -1.38 0.78 0.65 4.23 3.76 0.70 -2.57 115.29 121.45 3sod s HIS 41 Ca 0.36 -0.21 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 3sod s HIS 41 Cb -0.16 -0.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.87 3sod s HIS 41 CO 0.19 -0.17 1.20 0.20 -0.85 0.00 0.00 174.74 175.31 3sod s GLY 42 N 0.73 2.54 -0.22 -2.22 0.00 0.18 -2.72 107.32 105.61 3sod s GLY 42 Ca -0.10 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.50 3sod s GLY 42 CO 0.01 1.30 0.05 -0.12 0.00 0.00 0.00 173.10 174.34 3sod s PHE 43 N -1.82 1.10 0.17 1.90 5.36 -0.13 0.02 117.98 124.59 3sod s PHE 43 Ca 0.75 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3sod s PHE 43 Cb -0.29 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.21 3sod s PHE 43 CO 0.38 -0.68 0.05 -1.01 -1.46 0.00 0.00 175.22 172.50 3sod s HIS 44 N 1.83 1.13 -0.19 10.12 3.76 -0.90 -3.00 115.29 128.04 3sod s HIS 44 Ca 0.02 -1.16 -0.08 0.00 -0.15 0.00 0.00 55.06 53.69 3sod s HIS 44 Cb -0.17 -0.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.84 3sod s HIS 44 CO -0.13 -0.38 0.08 0.14 -0.85 0.00 0.00 174.74 173.59 3sod s VAL 45 N -3.86 4.89 0.17 -0.90 -7.23 0.05 -1.69 120.40 111.84 3sod s VAL 45 Ca 0.28 0.00 -0.08 0.00 -1.81 0.00 0.00 61.98 60.37 3sod s VAL 45 Cb 0.07 -3.22 -0.06 0.00 0.56 0.00 0.00 36.38 33.73 3sod s VAL 45 CO 0.06 0.44 0.46 -1.00 -0.31 0.00 0.00 175.10 174.75 3sod s HIS 46 N 0.47 3.47 0.34 2.82 3.76 0.59 -2.16 115.29 124.58 3sod s HIS 46 Ca 0.04 0.74 0.06 0.00 -0.15 0.00 0.00 55.06 55.75 3sod s HIS 46 Cb -0.12 -2.15 0.63 0.00 1.11 0.00 0.00 32.58 32.05 3sod s HIS 46 CO 0.00 0.37 1.86 0.37 -0.85 0.00 0.00 174.74 176.50 3sod h GLN 47 N 2.83 0.41 -6.03 1.40 4.15 0.16 -1.45 115.11 116.58 3sod h GLN 47 Ca -0.47 -0.10 -0.66 0.00 0.77 0.00 0.00 58.65 58.19 3sod h GLN 47 Cb 1.17 -0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.69 3sod h GLN 47 CO 0.70 0.51 -0.60 -0.06 -1.93 0.00 0.00 178.83 177.46 3sod s PHE 48 N -4.80 3.23 -0.93 3.99 0.08 -0.36 -4.64 117.98 114.54 3sod s PHE 48 Ca -0.07 0.18 -0.02 0.00 0.12 0.00 0.00 56.93 57.15 3sod s PHE 48 Cb 0.15 -1.73 0.33 0.00 -0.57 0.00 0.00 43.02 41.20 3sod s PHE 48 CO 0.76 0.53 1.96 0.41 -0.10 0.00 0.00 175.22 178.77 3sod n GLY 49 N 1.39 5.77 3.28 4.36 0.00 -0.78 -3.50 105.19 115.72 3sod n GLY 49 Ca -0.14 -2.51 -0.38 0.00 0.00 0.00 0.00 46.02 42.99 3sod n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3sod s ASP 50 N -1.15 5.29 -0.20 1.61 -1.08 -1.26 -4.93 116.67 114.94 3sod s ASP 50 Ca 0.46 -1.09 0.15 0.00 -0.52 0.00 0.00 52.55 51.56 3sod s ASP 50 Cb 0.33 -1.87 0.58 0.00 -1.46 0.00 0.00 42.92 40.50 3sod s ASP 50 CO -0.29 -0.31 1.49 0.59 0.52 0.00 0.00 175.17 177.18 3sod n ASN 51 N 4.82 4.08 0.24 -0.34 3.02 -1.26 -2.99 115.26 122.83 3sod n ASN 51 Ca -0.13 -3.08 0.08 0.00 -0.03 0.00 0.00 54.58 51.42 3sod n ASN 51 Cb 0.45 -0.58 0.59 0.00 -0.61 0.00 0.00 39.78 39.62 3sod n ASN 51 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3sod h THR 52 N 2.07 0.91 -1.18 3.41 1.35 -1.93 -2.55 112.91 114.99 3sod h THR 52 Ca 0.03 -0.63 -0.44 0.00 -0.55 0.00 0.00 66.41 64.82 3sod h THR 52 Cb 1.59 1.36 -0.41 0.00 -1.73 0.00 0.00 68.15 68.97 3sod h THR 52 CO 0.30 0.17 -1.02 1.67 -0.25 0.00 0.00 175.52 176.39 3sod n GLN 53 N -4.03 2.01 0.00 4.72 7.27 -1.26 -5.06 117.38 121.03 3sod n GLN 53 Ca -0.02 -3.72 0.00 0.00 0.07 0.00 0.00 57.00 53.33 3sod n GLN 53 Cb 0.25 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.28 3sod n GLN 53 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3sod n GLY 54 N -0.23 1.66 0.27 1.69 0.00 -0.96 -2.04 105.19 105.57 3sod n GLY 54 Ca 0.20 -0.48 0.16 0.00 0.00 0.00 0.00 46.02 45.90 3sod n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3sod h THR 56 N 0.00 1.18 0.00 0.00 2.02 -1.75 -3.12 112.91 111.24 3sod h THR 56 Ca -0.00 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3sod h THR 56 Cb 0.49 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3sod h THR 56 CO 0.01 0.15 0.00 -1.54 0.37 0.00 0.00 175.52 174.51 3sod n SER 57 N -4.93 0.00 0.00 4.18 3.41 -1.18 -3.01 113.62 112.09 3sod n SER 57 Ca -0.07 -0.15 0.09 0.00 -0.26 0.00 0.00 58.87 58.48 3sod n SER 57 Cb 0.14 -0.17 0.46 0.00 -0.26 0.00 0.00 64.21 64.38 3sod n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3sod n ALA 58 N -1.17 2.00 -0.79 7.33 0.00 -1.16 -4.46 120.51 122.26 3sod n ALA 58 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3sod n ALA 58 Cb 0.09 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.26 3sod n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sod n GLY 59 N 0.18 0.05 3.38 0.00 0.00 -1.16 -1.22 105.19 106.42 3sod n GLY 59 Ca 0.09 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 3sod n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3sod n PRO 60 N -0.37 -2.01 -1.96 1.61 -0.04 -1.26 -4.53 135.00 126.45 3sod n PRO 60 Ca 0.00 -1.75 -0.38 0.00 -0.04 0.00 0.00 63.50 61.33 3sod n PRO 60 Cb 0.00 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.12 3sod n PRO 60 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3sod s HIS 61 N -3.27 2.51 -0.25 0.54 3.76 -1.26 0.16 115.29 117.48 3sod s HIS 61 Ca 0.67 1.43 -0.27 0.00 -0.15 0.00 0.00 55.06 56.74 3sod s HIS 61 Cb -0.04 -3.65 0.00 0.00 1.11 0.00 0.00 32.58 30.00 3sod s HIS 61 CO 0.49 -2.39 0.95 0.12 -0.85 0.00 0.00 174.74 173.06 3sod s PHE 62 N -1.38 3.30 -0.40 1.40 5.36 -0.92 -4.37 117.98 120.97 3sod s PHE 62 Ca 0.68 1.27 0.09 0.00 -0.96 0.00 0.00 56.93 58.02 3sod s PHE 62 Cb -0.36 -3.23 0.31 0.00 -0.34 0.00 0.00 43.02 39.40 3sod s PHE 62 CO 0.44 -0.49 0.78 -1.71 -1.46 0.00 0.00 175.22 172.78 3sod n ASN 63 N 6.25 -0.28 0.29 6.13 5.15 -1.26 0.91 115.26 132.44 3sod n ASN 63 Ca 0.09 -3.12 0.18 0.00 -0.60 0.00 0.00 54.58 51.13 3sod n ASN 63 Cb 0.47 0.12 0.97 0.00 -0.53 0.00 0.00 39.78 40.81 3sod n ASN 63 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3sod h PRO 64 N 3.28 0.00 -0.47 1.20 0.13 -1.99 -2.02 132.00 132.13 3sod h PRO 64 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3sod h PRO 64 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3sod h PRO 64 CO 0.40 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.45 3sod n LEU 65 N -3.58 2.56 -4.15 1.56 4.77 -1.26 -4.97 117.00 111.94 3sod n LEU 65 Ca -0.02 -1.27 -0.31 0.00 -0.03 0.00 0.00 56.01 54.38 3sod n LEU 65 Cb 0.16 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3sod n LEU 65 CO 0.25 0.63 -0.21 -1.20 -1.33 0.00 0.00 177.39 175.53 3sod n SER 66 N 0.90 -1.11 -4.84 -1.43 7.64 -0.76 -4.97 113.62 109.04 3sod n SER 66 Ca 0.16 -1.08 -0.23 0.00 1.01 0.00 0.00 58.87 58.74 3sod n SER 66 Cb 0.41 -2.58 0.07 0.00 -1.01 0.00 0.00 64.21 61.10 3sod n SER 66 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3sod s LYS 67 N -6.89 2.14 0.26 1.43 1.02 -1.26 -5.11 119.74 111.33 3sod s LYS 67 Ca 0.29 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.45 3sod s LYS 67 Cb -0.16 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3sod s LYS 67 CO 0.93 -1.09 0.45 0.15 -0.92 0.00 0.00 175.35 174.88 3sod s LYS 68 N -4.99 3.50 0.45 1.68 -0.14 -1.26 -4.82 119.74 114.16 3sod s LYS 68 Ca 0.61 -0.38 -0.25 0.00 -1.36 0.00 0.00 55.97 54.59 3sod s LYS 68 Cb -0.08 -2.77 -0.08 0.00 -1.68 0.00 0.00 37.83 33.22 3sod s LYS 68 CO 0.42 0.31 1.33 -1.58 -0.76 0.00 0.00 175.35 175.06 3sod s HIS 69 N -2.06 2.64 0.00 3.18 5.65 0.12 -3.18 115.29 121.65 3sod s HIS 69 Ca 0.39 1.38 0.00 0.00 0.25 0.00 0.00 55.06 57.08 3sod s HIS 69 Cb -0.10 -3.73 0.00 0.00 -1.18 0.00 0.00 32.58 27.57 3sod s HIS 69 CO 0.31 -2.38 0.00 0.41 -0.65 0.00 0.00 174.74 172.43 3sod n GLY 70 N 0.63 3.04 3.95 1.59 0.00 -1.25 -4.14 105.19 109.01 3sod n GLY 70 Ca 0.06 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 3sod n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3sod s GLY 71 N -0.59 1.33 0.61 -0.02 0.00 -1.26 -4.71 107.32 102.67 3sod s GLY 71 Ca 0.00 -0.95 0.33 0.00 0.00 0.00 0.00 44.72 44.11 3sod s GLY 71 CO 0.00 -0.90 2.29 -0.56 0.00 0.00 0.00 173.10 173.93 3sod h PRO 72 N 0.80 0.00 0.00 2.90 0.13 -1.88 -0.20 132.00 133.74 3sod h PRO 72 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3sod h PRO 72 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3sod h PRO 72 CO 0.61 0.00 -0.55 1.63 -0.23 0.00 0.00 178.00 179.46 3sod n LYS 73 N -3.65 0.16 -2.56 0.86 4.01 -1.26 -4.97 118.16 110.74 3sod n LYS 73 Ca -0.03 0.04 -0.33 0.00 -0.51 0.00 0.00 58.31 57.49 3sod n LYS 73 Cb 0.08 -1.60 -0.05 0.00 -0.51 0.00 0.00 35.03 32.96 3sod n LYS 73 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3sod s ASP 74 N -3.65 6.70 0.07 4.39 1.01 -0.09 -4.95 116.67 120.15 3sod s ASP 74 Ca 0.09 1.65 -0.15 0.00 0.71 0.00 0.00 52.55 54.85 3sod s ASP 74 Cb 0.15 -2.53 -0.23 0.00 1.01 0.00 0.00 42.92 41.33 3sod s ASP 74 CO 0.70 -0.53 1.19 -0.08 0.21 0.00 0.00 175.17 176.66 3sod h GLU 75 N 1.34 0.68 -5.48 8.23 4.81 -1.93 -3.38 114.58 118.84 3sod h GLU 75 Ca -0.48 -0.72 -0.64 0.00 -0.13 0.00 0.00 59.36 57.40 3sod h GLU 75 Cb 1.19 0.20 -0.14 0.00 0.63 0.00 0.00 28.75 30.63 3sod h GLU 75 CO 0.61 1.30 0.80 -1.21 -0.73 0.00 0.00 179.01 179.78 3sod s GLU 76 N -3.33 3.33 0.27 1.92 0.41 -1.26 -4.96 118.70 115.07 3sod s GLU 76 Ca -0.10 -1.10 -0.16 0.00 -0.41 0.00 0.00 54.97 53.20 3sod s GLU 76 Cb 0.07 -4.57 0.01 0.00 -1.78 0.00 0.00 34.13 27.85 3sod s GLU 76 CO 0.91 -1.88 0.60 -0.98 -0.49 0.00 0.00 175.26 173.42 3sod s ARG 77 N 3.92 1.70 0.44 1.61 1.70 -1.19 -3.84 118.95 123.29 3sod s ARG 77 Ca 0.29 -1.16 -0.15 0.00 -0.47 0.00 0.00 55.73 54.25 3sod s ARG 77 Cb -0.10 0.54 -0.08 0.00 -0.57 0.00 0.00 34.95 34.74 3sod s ARG 77 CO 0.02 -0.75 0.87 -1.01 -1.08 0.00 0.00 175.30 173.36 3sod s HIS 78 N -3.86 3.43 0.38 5.89 3.76 -1.23 -4.64 115.29 119.01 3sod s HIS 78 Ca 0.17 1.31 0.05 0.00 -0.15 0.00 0.00 55.06 56.44 3sod s HIS 78 Cb -0.03 -2.65 0.74 0.00 1.11 0.00 0.00 32.58 31.75 3sod s HIS 78 CO 0.09 -0.18 2.02 0.28 -0.85 0.00 0.00 174.74 176.10 3sod h VAL 79 N 1.27 1.14 -0.19 -0.90 2.07 -1.68 -2.72 116.25 115.24 3sod h VAL 79 Ca -0.47 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.76 3sod h VAL 79 Cb 1.18 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3sod h VAL 79 CO 0.63 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.97 3sod n GLY 80 N -1.41 0.39 3.56 2.17 0.00 0.26 -4.49 105.19 105.67 3sod n GLY 80 Ca 0.04 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 3sod n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3sod s ASP 81 N -0.82 5.69 -0.18 1.61 1.01 -1.03 -0.77 116.67 122.18 3sod s ASP 81 Ca 0.14 0.23 0.16 0.00 0.71 0.00 0.00 52.55 53.79 3sod s ASP 81 Cb 0.08 -2.54 0.48 0.00 1.01 0.00 0.00 42.92 41.95 3sod s ASP 81 CO 0.08 -2.07 1.37 0.18 0.21 0.00 0.00 175.17 174.95 3sod n LEU 82 N 11.15 3.62 0.00 1.23 4.77 -1.16 -3.89 117.00 132.71 3sod n LEU 82 Ca 0.15 -3.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.00 3sod n LEU 82 Cb 0.50 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3sod n LEU 82 CO 0.71 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 3sod n GLY 83 N -0.77 2.53 3.73 -0.72 0.00 -1.25 -4.82 105.19 103.89 3sod n GLY 83 Ca 0.22 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 3sod n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3sod s ASN 84 N -4.00 5.21 -0.06 1.61 0.01 -1.26 -0.95 114.94 115.50 3sod s ASN 84 Ca 0.00 -0.19 0.04 0.00 -0.71 0.00 0.00 52.86 52.00 3sod s ASN 84 Cb 0.00 -1.28 0.00 0.00 0.41 0.00 0.00 41.25 40.38 3sod s ASN 84 CO 0.00 0.12 -0.18 0.68 -1.51 0.00 0.00 177.10 176.21 3sod s VAL 85 N -1.57 1.50 -0.24 1.60 -7.23 -1.10 -4.93 120.40 108.44 3sod s VAL 85 Ca 0.28 -0.73 -0.08 0.00 -1.81 0.00 0.00 61.98 59.64 3sod s VAL 85 Cb -0.11 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3sod s VAL 85 CO 0.21 0.43 0.10 -0.89 -0.31 0.00 0.00 175.10 174.64 3sod s THR 86 N 0.27 4.76 0.50 5.32 2.01 -1.26 -0.22 115.64 127.02 3sod s THR 86 Ca -0.10 -0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 3sod s THR 86 Cb -0.14 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 3sod s THR 86 CO 0.04 0.35 0.86 0.00 -0.69 0.00 0.00 174.62 175.18 3sod s ALA 87 N 1.25 3.29 0.00 7.40 0.00 0.84 -4.26 121.76 130.28 3sod s ALA 87 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3sod s ALA 87 Cb -0.14 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.19 3sod s ALA 87 CO 0.05 -0.35 0.00 -0.40 0.00 0.00 0.00 175.76 175.05 3sod n ASP 88 N -2.12 0.01 -0.02 0.00 5.75 -0.07 -3.14 116.55 116.95 3sod n ASP 88 Ca 0.03 -0.87 0.00 0.00 -0.01 0.00 0.00 54.79 53.94 3sod n ASP 88 Cb 0.54 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.65 3sod n ASP 88 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 3sod n LYS 89 N -0.87 1.03 -0.01 0.11 0.00 -1.26 -2.47 118.16 114.69 3sod n LYS 89 Ca 0.00 -0.05 0.09 0.00 -0.00 0.00 0.00 58.31 58.35 3sod n LYS 89 Cb 0.00 -1.02 0.08 0.00 -0.00 0.00 0.00 35.03 34.09 3sod n LYS 89 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3sod n ASN 90 N -0.47 2.51 0.00 -5.58 4.13 -1.26 -4.95 115.26 109.64 3sod n ASN 90 Ca 0.01 -1.75 0.00 0.00 1.68 0.00 0.00 54.58 54.52 3sod n ASN 90 Cb 0.01 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3sod n ASN 90 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3sod n GLY 91 N 1.00 0.84 3.70 7.41 0.00 -1.03 -4.69 105.19 112.40 3sod n GLY 91 Ca 0.11 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3sod n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3sod s VAL 92 N -2.00 5.26 -0.11 1.61 1.01 -1.26 -2.50 120.40 122.41 3sod s VAL 92 Ca 0.00 0.59 -0.05 0.00 0.00 0.00 0.00 61.98 62.52 3sod s VAL 92 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3sod s VAL 92 CO 0.00 0.32 0.06 0.00 0.00 0.00 0.00 175.10 175.48 3sod s ALA 93 N 0.90 3.51 -0.33 5.51 0.00 0.83 -0.89 121.76 131.28 3sod s ALA 93 Ca 0.17 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.32 3sod s ALA 93 Cb -0.14 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.30 3sod s ALA 93 CO 0.06 0.53 0.10 0.42 0.00 0.00 0.00 175.76 176.87 3sod s ILE 94 N -0.72 3.82 -0.07 0.00 -1.09 -1.26 -2.86 121.20 119.03 3sod s ILE 94 Ca 0.12 -1.05 -0.19 0.00 -2.23 0.00 0.00 60.65 57.29 3sod s ILE 94 Cb -0.12 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.59 3sod s ILE 94 CO 0.03 -0.14 0.54 -0.69 -1.23 0.00 0.00 174.94 173.45 3sod s VAL 95 N 1.42 5.07 -0.31 2.92 1.01 -0.65 -4.82 120.40 125.04 3sod s VAL 95 Ca -0.01 1.10 0.01 0.00 0.00 0.00 0.00 61.98 63.08 3sod s VAL 95 Cb -0.19 -3.87 0.15 0.00 0.00 0.00 0.00 36.38 32.46 3sod s VAL 95 CO 0.03 0.36 0.35 -0.62 0.00 0.00 0.00 175.10 175.22 3sod s ASP 96 N 0.26 1.19 0.05 3.32 2.15 -1.25 -2.75 116.67 119.64 3sod s ASP 96 Ca 0.29 -0.90 0.03 0.00 0.43 0.00 0.00 52.55 52.39 3sod s ASP 96 Cb -0.17 0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 43.11 3sod s ASP 96 CO 0.14 -0.34 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.07 3sod s ILE 97 N 2.13 0.68 -0.10 4.11 1.01 -1.03 -5.01 121.20 123.00 3sod s ILE 97 Ca 0.12 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3sod s ILE 97 Cb -0.14 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.62 3sod s ILE 97 CO -0.24 -0.35 -0.15 -0.69 0.00 0.00 0.00 174.94 173.52 3sod s VAL 98 N -1.36 1.45 -0.04 2.92 1.01 -1.26 -2.29 120.40 120.83 3sod s VAL 98 Ca -0.08 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3sod s VAL 98 Cb -0.10 -1.33 0.01 0.00 0.00 0.00 0.00 36.38 34.97 3sod s VAL 98 CO 0.01 0.43 -0.06 -0.62 0.00 0.00 0.00 175.10 174.85 3sod s ASP 99 N 0.92 1.05 0.00 3.32 2.15 0.69 -4.92 116.67 119.89 3sod s ASP 99 Ca -0.08 -0.16 0.28 0.00 0.43 0.00 0.00 52.55 53.02 3sod s ASP 99 Cb -0.15 -0.43 1.13 0.00 -0.30 0.00 0.00 42.92 43.17 3sod s ASP 99 CO -0.00 -0.00 1.79 -0.81 -0.17 0.00 0.00 175.17 175.97 3sod n PRO 100 N 3.73 1.58 -0.11 4.34 -0.04 -1.26 0.37 135.00 143.60 3sod n PRO 100 Ca -0.23 -0.84 -0.14 0.00 -0.04 0.00 0.00 63.50 62.25 3sod n PRO 100 Cb 0.52 -1.47 -0.14 0.00 -0.04 0.00 0.00 33.50 32.37 3sod n PRO 100 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3sod n LEU 101 N 0.03 1.51 -4.82 1.53 7.94 -1.26 -4.67 117.00 117.26 3sod n LEU 101 Ca 0.19 -0.06 -0.30 0.00 -1.11 0.00 0.00 56.01 54.73 3sod n LEU 101 Cb 0.32 -0.22 0.08 0.00 0.53 0.00 0.00 43.42 44.12 3sod n LEU 101 CO 0.16 0.72 0.72 0.27 -1.11 0.00 0.00 177.39 178.15 3sod s ILE 102 N -2.51 3.36 0.01 1.96 -4.36 -1.26 -4.97 121.20 113.42 3sod s ILE 102 Ca -0.22 0.44 -0.13 0.00 -0.26 0.00 0.00 60.65 60.48 3sod s ILE 102 Cb 0.08 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.59 3sod s ILE 102 CO 0.72 -0.58 0.27 -0.55 0.24 0.00 0.00 174.94 175.04 3sod s SER 103 N -3.93 -0.12 0.00 4.36 0.15 -1.18 -4.44 113.70 108.54 3sod s SER 103 Ca 0.60 -0.07 0.23 0.00 0.70 0.00 0.00 55.95 57.41 3sod s SER 103 Cb -0.14 0.30 0.43 0.00 -1.71 0.00 0.00 66.02 64.91 3sod s SER 103 CO 0.54 -0.48 1.41 0.18 1.20 0.00 0.00 173.24 176.09 3sod n LEU 104 N 1.08 3.51 -3.63 3.45 4.77 -1.26 -1.46 117.00 123.46 3sod n LEU 104 Ca -0.21 -1.53 -0.10 0.00 -0.03 0.00 0.00 56.01 54.14 3sod n LEU 104 Cb 0.57 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3sod n LEU 104 CO 0.22 0.76 0.22 -0.94 -1.33 0.00 0.00 177.39 176.32 3sod s SER 105 N -1.47 -0.29 0.20 -1.43 1.04 -1.26 -0.52 113.70 109.98 3sod s SER 105 Ca 0.39 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3sod s SER 105 Cb 0.23 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.87 3sod s SER 105 CO 0.32 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.22 3sod n GLY 106 N -0.28 -1.92 0.25 7.32 0.00 -1.26 -3.88 105.19 105.41 3sod n GLY 106 Ca -0.14 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.50 3sod n GLY 106 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3sod n GLU 107 N -0.95 -0.18 -0.50 1.61 2.13 -1.26 0.14 120.64 121.63 3sod n GLU 107 Ca 0.00 0.96 -0.01 0.00 0.66 0.00 0.00 57.16 58.78 3sod n GLU 107 Cb 0.06 -1.42 0.18 0.00 0.27 0.00 0.00 31.44 30.52 3sod n GLU 107 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3sod n TYR 108 N -4.89 1.19 -2.05 4.31 4.01 -1.26 -4.97 117.16 113.50 3sod n TYR 108 Ca 0.05 -0.58 -0.41 0.00 -0.16 0.00 0.00 57.90 56.81 3sod n TYR 108 Cb 0.23 -0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 3sod n TYR 108 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3sod s SER 109 N -0.33 6.63 0.00 7.72 0.15 0.38 -3.07 113.70 125.18 3sod s SER 109 Ca 0.28 2.75 0.22 0.00 0.70 0.00 0.00 55.95 59.90 3sod s SER 109 Cb 0.22 -2.65 0.13 0.00 -1.71 0.00 0.00 66.02 62.00 3sod s SER 109 CO 0.07 -0.64 1.15 2.30 1.20 0.00 0.00 173.24 177.33 3sod n ILE 110 N 0.64 0.00 -2.12 6.45 -5.35 -0.53 -4.94 119.36 113.51 3sod n ILE 110 Ca 0.01 -0.44 -0.42 0.00 -0.27 0.00 0.00 62.75 61.63 3sod n ILE 110 Cb 0.42 1.40 -0.03 0.00 -1.74 0.00 0.00 39.64 39.69 3sod n ILE 110 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3sod s ILE 111 N -1.97 3.15 0.00 7.28 1.01 -1.26 -2.17 121.20 127.24 3sod s ILE 111 Ca 0.24 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.72 3sod s ILE 111 Cb 0.18 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 39.11 3sod s ILE 111 CO 0.34 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3sod n GLY 112 N 3.43 0.76 0.99 6.18 0.00 0.24 -5.00 105.19 111.79 3sod n GLY 112 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 3sod n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sod n ARG 113 N -2.17 1.21 -5.25 1.61 1.74 -0.92 -1.86 116.66 111.02 3sod n ARG 113 Ca 0.00 -0.87 -0.31 0.00 -0.77 0.00 0.00 57.85 55.89 3sod n ARG 113 Cb 0.00 0.06 -0.16 0.00 -1.02 0.00 0.00 32.46 31.35 3sod n ARG 113 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3sod s THR 114 N -0.55 2.19 -0.18 0.55 2.01 -0.55 -1.45 115.64 117.66 3sod s THR 114 Ca 0.10 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.91 3sod s THR 114 Cb -0.01 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 3sod s THR 114 CO 0.06 0.58 0.29 -0.32 -0.69 0.00 0.00 174.62 174.54 3sod s MET 115 N -0.57 4.22 0.03 4.92 1.75 -1.07 0.22 119.30 128.80 3sod s MET 115 Ca 0.08 0.06 0.04 0.00 -1.25 0.00 0.00 55.69 54.62 3sod s MET 115 Cb -0.11 -3.46 -0.02 0.00 2.84 0.00 0.00 34.83 34.09 3sod s MET 115 CO -0.00 0.17 -0.12 0.14 -0.65 0.00 0.00 175.02 174.56 3sod s VAL 116 N 0.68 0.90 -0.14 10.11 -7.23 -0.68 -2.56 120.40 121.48 3sod s VAL 116 Ca 0.15 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.47 3sod s VAL 116 Cb -0.13 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 3sod s VAL 116 CO 0.04 -0.00 -0.09 0.54 -0.31 0.00 0.00 175.10 175.28 3sod s VAL 117 N -0.75 3.37 0.23 1.32 0.11 -1.08 -2.12 120.40 121.49 3sod s VAL 117 Ca 0.00 -0.54 0.06 0.00 -2.93 0.00 0.00 61.98 58.57 3sod s VAL 117 Cb -0.07 -2.44 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 3sod s VAL 117 CO 0.01 0.51 0.22 -1.00 -3.33 0.00 0.00 175.10 171.50 3sod s HIS 118 N 0.40 3.19 0.24 1.54 3.76 0.10 -2.01 115.29 122.51 3sod s HIS 118 Ca -0.08 -0.07 -0.06 0.00 -0.15 0.00 0.00 55.06 54.70 3sod s HIS 118 Cb -0.15 -1.46 0.31 0.00 1.11 0.00 0.00 32.58 32.40 3sod s HIS 118 CO 0.04 0.51 1.85 1.49 -0.85 0.00 0.00 174.74 177.78 3sod h GLU 119 N 1.60 0.94 -5.55 1.40 4.81 -0.30 -3.36 114.58 114.12 3sod h GLU 119 Ca -0.49 -0.06 -0.62 0.00 -0.13 0.00 0.00 59.36 58.07 3sod h GLU 119 Cb 1.23 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.27 3sod h GLU 119 CO 0.61 0.62 -0.59 0.15 -0.73 0.00 0.00 179.01 179.08 3sod s LYS 120 N -6.07 1.95 0.69 1.92 1.02 0.16 -4.92 119.74 114.48 3sod s LYS 120 Ca -0.13 -2.12 -0.14 0.00 0.02 0.00 0.00 55.97 53.60 3sod s LYS 120 Cb 0.18 -1.52 0.02 0.00 -0.52 0.00 0.00 37.83 35.98 3sod s LYS 120 CO 0.79 -0.11 1.11 -2.14 -0.92 0.00 0.00 175.35 174.08 3sod s PRO 121 N -3.75 2.64 -0.06 -1.68 0.02 -1.06 0.51 135.00 131.62 3sod s PRO 121 Ca 0.32 1.34 -0.19 0.00 0.02 0.00 0.00 61.00 62.49 3sod s PRO 121 Cb 0.09 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.63 3sod s PRO 121 CO 0.16 -1.37 0.54 0.34 -0.33 0.00 0.00 177.00 176.35 3sod s ASP 122 N -2.77 6.84 0.05 2.53 -1.08 -1.26 -4.23 116.67 116.75 3sod s ASP 122 Ca 0.66 1.00 0.25 0.00 -0.52 0.00 0.00 52.55 53.94 3sod s ASP 122 Cb -0.20 -2.33 0.55 0.00 -1.46 0.00 0.00 42.92 39.48 3sod s ASP 122 CO 0.45 0.05 1.46 -0.90 0.52 0.00 0.00 175.17 176.75 3sod n ASP 123 N 3.20 0.53 -1.37 -0.34 5.68 -0.51 -4.90 116.55 118.83 3sod n ASP 123 Ca -0.07 0.02 -0.11 0.00 -0.50 0.00 0.00 54.79 54.14 3sod n ASP 123 Cb 0.51 0.08 0.01 0.00 -1.14 0.00 0.00 41.12 40.58 3sod n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3sod n LEU 124 N -1.77 -1.78 -0.63 -2.12 4.77 -1.26 -2.70 117.00 111.51 3sod n LEU 124 Ca 0.05 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 3sod n LEU 124 Cb 0.38 -1.70 -0.04 0.00 -2.33 0.00 0.00 43.42 39.74 3sod n LEU 124 CO 0.34 0.00 -0.08 0.61 -1.33 0.00 0.00 177.39 176.94 3sod n GLY 125 N -1.07 0.98 0.83 -0.72 0.00 -1.25 -4.04 105.19 99.93 3sod n GLY 125 Ca -0.09 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.51 3sod n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sod n ARG 126 N -2.33 1.85 0.01 1.61 1.74 -1.10 -4.68 116.66 113.76 3sod n ARG 126 Ca -0.08 -3.39 0.11 0.00 -0.77 0.00 0.00 57.85 53.72 3sod n ARG 126 Cb 0.32 -1.72 0.07 0.00 -1.02 0.00 0.00 32.46 30.11 3sod n ARG 126 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3sod n GLY 127 N -1.07 -1.18 1.65 -0.13 0.00 -1.26 -5.02 105.19 98.16 3sod n GLY 127 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3sod n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3sod n GLY 128 N 1.43 0.51 3.16 -0.02 0.00 -1.26 -5.01 105.19 104.00 3sod n GLY 128 Ca 0.03 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 3sod n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3sod s ASN 129 N -2.64 0.29 0.10 1.61 2.20 -1.26 -5.04 114.94 110.19 3sod s ASN 129 Ca 0.00 -1.21 -0.22 0.00 -0.94 0.00 0.00 52.86 50.49 3sod s ASN 129 Cb 0.00 0.31 -0.12 0.00 -2.00 0.00 0.00 41.25 39.43 3sod s ASN 129 CO 0.00 -0.74 1.74 -0.33 -2.94 0.00 0.00 177.10 174.82 3sod h GLU 130 N 2.83 0.09 -0.79 3.55 4.39 -2.00 -2.30 114.58 120.35 3sod h GLU 130 Ca -0.35 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.46 3sod h GLU 130 Cb 1.20 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 3sod h GLU 130 CO 0.58 0.08 0.52 1.49 -1.16 0.00 0.00 179.01 180.52 3sod h GLU 131 N 0.08 0.62 -0.85 2.33 4.57 -2.00 -1.10 114.58 118.23 3sod h GLU 131 Ca 0.02 -0.04 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3sod h GLU 131 Cb 0.01 -0.14 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3sod h GLU 131 CO -0.01 0.41 0.55 1.03 -1.18 0.00 0.00 179.01 179.82 3sod h SER 132 N 0.64 0.93 0.41 1.04 0.87 -1.77 -2.51 113.55 113.15 3sod h SER 132 Ca 0.38 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3sod h SER 132 Cb 0.59 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3sod h SER 132 CO -0.15 0.65 0.00 0.35 -0.53 0.00 0.00 176.83 177.15 3sod n THR 133 N -4.54 1.07 -0.03 2.23 -2.24 -0.43 -0.87 114.28 109.48 3sod n THR 133 Ca 0.10 0.40 -0.03 0.00 -2.27 0.00 0.00 64.05 62.24 3sod n THR 133 Cb 0.07 -1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 66.95 3sod n THR 133 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3sod n LYS 134 N -2.00 1.44 0.00 -0.78 2.85 -1.09 0.15 118.16 118.74 3sod n LYS 134 Ca 0.01 0.02 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3sod n LYS 134 Cb 0.14 -1.12 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 3sod n LYS 134 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3sod n THR 135 N -2.46 0.08 -0.95 0.58 -2.24 -0.97 -4.66 114.28 103.66 3sod n THR 135 Ca -0.09 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3sod n THR 135 Cb 0.63 1.47 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 3sod n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3sod n GLY 136 N -0.04 0.46 3.14 3.38 0.00 -0.05 -3.31 105.19 108.77 3sod n GLY 136 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3sod n GLY 136 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3sod n ASN 137 N -0.21 -4.14 -0.37 1.61 3.02 -1.26 -1.43 115.26 112.49 3sod n ASN 137 Ca 0.00 -0.48 0.14 0.00 -0.03 0.00 0.00 54.58 54.22 3sod n ASN 137 Cb 0.10 -4.29 0.57 0.00 -0.61 0.00 0.00 39.78 35.55 3sod n ASN 137 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3sod n ALA 138 N -4.17 2.66 -0.71 5.41 0.00 -1.21 -4.68 120.51 117.81 3sod n ALA 138 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3sod n ALA 138 Cb 0.59 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3sod n ALA 138 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3sod n GLY 139 N 1.18 2.32 3.76 0.00 0.00 -1.26 0.36 105.19 111.55 3sod n GLY 139 Ca 0.19 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3sod n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3sod s SER 140 N -4.00 6.36 -0.43 1.61 0.15 -1.26 -4.75 113.70 111.38 3sod s SER 140 Ca 0.00 2.99 -0.18 0.00 0.70 0.00 0.00 55.95 59.46 3sod s SER 140 Cb 0.00 -2.65 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3sod s SER 140 CO 0.00 -0.90 0.49 -0.13 1.20 0.00 0.00 173.24 173.89 3sod s ARG 141 N -1.08 3.13 0.04 5.44 0.52 -1.26 -0.08 118.95 125.66 3sod s ARG 141 Ca 0.59 -0.69 -0.19 0.00 -0.52 0.00 0.00 55.73 54.93 3sod s ARG 141 Cb -0.47 -3.97 -0.16 0.00 0.52 0.00 0.00 34.95 30.87 3sod s ARG 141 CO 0.54 -0.90 1.29 -0.07 0.02 0.00 0.00 175.30 176.17 3sod h LEU 142 N 9.21 0.50 -7.54 2.53 3.38 -1.73 -3.48 115.31 118.18 3sod h LEU 142 Ca -0.26 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.05 3sod h LEU 142 Cb 1.11 -0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.54 3sod h LEU 142 CO 0.82 0.97 -0.25 0.00 0.09 0.00 0.00 178.44 180.07 3sod s ALA 143 N -3.99 -0.72 0.26 1.53 0.00 -1.20 -4.33 121.76 113.31 3sod s ALA 143 Ca -0.14 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 3sod s ALA 143 Cb 0.05 0.27 0.02 0.00 0.00 0.00 0.00 23.12 23.46 3sod s ALA 143 CO 0.79 -0.38 0.66 0.00 0.00 0.00 0.00 175.76 176.83 3sod s GLY 145 N -2.92 0.21 0.34 0.00 0.00 -1.06 -2.95 107.32 100.94 3sod s GLY 145 Ca 0.12 3.29 -0.29 0.00 0.00 0.00 0.00 44.72 47.84 3sod s GLY 145 CO 0.05 2.10 1.54 -0.62 0.00 0.00 0.00 173.10 176.18 3sod n VAL 146 N 2.20 1.50 -3.01 1.40 0.31 -1.26 -2.60 118.33 116.87 3sod n VAL 146 Ca -0.13 -0.38 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 3sod n VAL 146 Cb 0.57 -1.97 -0.05 0.00 -0.91 0.00 0.00 33.84 31.47 3sod n VAL 146 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3sod s ILE 147 N -0.55 4.94 0.31 2.52 1.01 -0.53 -4.14 121.20 124.76 3sod s ILE 147 Ca 0.59 1.36 0.06 0.00 0.00 0.00 0.00 60.65 62.66 3sod s ILE 147 Cb -0.49 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 37.90 3sod s ILE 147 CO 0.56 0.03 -0.03 -0.83 0.00 0.00 0.00 174.94 174.67 3sod s GLY 148 N 1.29 2.01 0.49 6.18 0.00 -0.59 0.81 107.32 117.50 3sod s GLY 148 Ca 0.32 -2.01 -0.22 0.00 0.00 0.00 0.00 44.72 42.80 3sod s GLY 148 CO 0.09 -1.89 1.19 -0.42 0.00 0.00 0.00 173.10 172.08 3sod s ILE 149 N -2.99 2.93 0.26 0.90 1.01 -1.26 -0.67 121.20 121.38 3sod s ILE 149 Ca 0.32 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.67 3sod s ILE 149 Cb 0.05 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 3sod s ILE 149 CO 0.14 -0.02 0.10 0.00 0.00 0.00 0.00 174.94 175.15 3sod s ALA 150 N -1.53 1.76 0.00 9.38 0.00 -1.08 -4.71 121.76 125.59 3sod s ALA 150 Ca 0.66 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.76 3sod s ALA 150 Cb -0.30 1.05 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3sod s ALA 150 CO 0.36 -0.46 0.00 1.63 0.00 0.00 0.00 175.76 177.29