#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 2.51 0.33 0.00 1.00 -1.26 -5.10 119.30 116.77 1bsh s MET 2 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 55.69 55.64 1bsh s MET 2 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 34.83 32.61 1bsh s MET 2 CO 0.00 -1.04 0.14 -0.08 0.00 0.00 0.00 175.02 174.04 1bsh s THR 3 N -3.18 0.47 0.00 2.05 -1.32 -1.26 -4.75 115.64 107.65 1bsh s THR 3 Ca 0.58 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 1bsh s THR 3 Cb -0.11 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1bsh s THR 3 CO 0.46 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.87 1bsh n TYR 4 N -0.65 0.00 -3.73 9.09 4.11 -0.69 -4.89 117.16 120.40 1bsh n TYR 4 Ca -0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.90 57.77 1bsh n TYR 4 Cb 0.65 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.89 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N 1.79 -0.46 0.03 -3.48 5.65 -1.17 -1.11 115.29 116.54 1bsh s HIS 5 Ca 0.00 1.09 -0.00 0.00 0.25 0.00 0.00 55.06 56.40 1bsh s HIS 5 Cb 0.00 0.16 -0.04 0.00 -1.18 0.00 0.00 32.58 31.53 1bsh s HIS 5 CO 0.00 -0.23 0.15 -0.51 -0.65 0.00 0.00 174.74 173.50 1bsh s LEU 6 N 0.40 4.14 -0.42 8.88 1.02 -0.48 0.04 118.68 132.25 1bsh s LEU 6 Ca -0.02 0.20 0.07 0.00 0.02 0.00 0.00 54.13 54.40 1bsh s LEU 6 Cb -0.04 -2.62 0.23 0.00 0.02 0.00 0.00 46.19 43.79 1bsh s LEU 6 CO -0.02 0.22 0.58 -0.67 0.02 0.00 0.00 176.35 176.48 1bsh n ASP 7 N 0.68 -0.72 -4.66 2.29 2.03 -0.19 -2.37 116.55 113.62 1bsh n ASP 7 Ca -0.09 -2.77 -0.35 0.00 0.52 0.00 0.00 54.79 52.10 1bsh n ASP 7 Cb 0.52 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.80 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bsh s VAL 8 N -0.52 4.32 0.27 5.18 0.11 -0.51 -1.65 120.40 127.60 1bsh s VAL 8 Ca 0.34 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 59.11 1bsh s VAL 8 Cb 0.15 -2.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1bsh s VAL 8 CO -0.15 0.59 0.35 0.68 -3.33 0.00 0.00 175.10 173.23 1bsh s VAL 9 N -0.68 0.00 -0.30 2.04 -7.23 -1.02 -2.58 120.40 110.63 1bsh s VAL 9 Ca 0.11 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.45 1bsh s VAL 9 Cb -0.12 -2.45 0.17 0.00 0.56 0.00 0.00 36.38 34.55 1bsh s VAL 9 CO 0.02 0.00 0.96 -0.55 -0.31 0.00 0.00 175.10 175.23 1bsh s SER 10 N -3.16 -0.63 -1.37 4.85 0.15 -1.26 -2.82 113.70 109.46 1bsh s SER 10 Ca 0.32 0.56 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1bsh s SER 10 Cb 0.02 1.60 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 1bsh s SER 10 CO 0.15 -0.12 0.00 0.00 1.20 0.00 0.00 173.24 174.47 1bsh n ALA 11 N 5.28 -0.36 -1.84 5.45 0.00 -1.26 -1.60 120.51 126.17 1bsh n ALA 11 Ca -0.07 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 1bsh n ALA 11 Cb 0.53 -1.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1bsh n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bsh n GLU 12 N -2.47 -1.28 0.19 0.00 -0.58 -1.26 -4.84 120.64 110.40 1bsh n GLU 12 Ca -0.17 1.00 0.08 0.00 -0.42 0.00 0.00 57.16 57.66 1bsh n GLU 12 Cb 0.58 -5.33 0.19 0.00 -0.57 0.00 0.00 31.44 26.31 1bsh n GLU 12 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1bsh h GLN 13 N 0.00 0.00 -4.64 3.49 4.15 -1.68 -3.49 115.11 112.94 1bsh h GLN 13 Ca -0.38 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.05 1bsh h GLN 13 Cb 1.20 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.78 1bsh h GLN 13 CO 0.51 0.23 -1.34 1.04 -1.93 0.00 0.00 178.83 177.34 1bsh n GLN 14 N -3.19 -3.90 -0.05 1.69 6.02 -1.26 -4.95 117.38 111.74 1bsh n GLN 14 Ca 0.02 3.01 -0.05 0.00 -0.01 0.00 0.00 57.00 59.97 1bsh n GLN 14 Cb 0.58 -4.40 -0.02 0.00 1.02 0.00 0.00 30.24 27.42 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1bsh n MET 15 N 1.44 0.29 -3.72 -1.09 2.81 -1.07 -4.97 117.12 110.80 1bsh n MET 15 Ca -0.35 0.11 -0.27 0.00 -1.81 0.00 0.00 57.70 55.39 1bsh n MET 15 Cb 0.54 -0.99 -0.17 0.00 -0.71 0.00 0.00 33.22 31.89 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N -2.06 0.82 -0.47 2.03 5.36 -1.07 -5.00 117.98 117.59 1bsh s PHE 16 Ca -0.16 -0.65 0.05 0.00 -0.96 0.00 0.00 56.93 55.21 1bsh s PHE 16 Cb 0.02 -0.93 0.19 0.00 -0.34 0.00 0.00 43.02 41.96 1bsh s PHE 16 CO 0.23 -0.55 0.42 -1.13 -1.46 0.00 0.00 175.22 172.74 1bsh n SER 17 N 5.11 0.49 -3.95 6.13 3.41 -1.24 -1.42 113.62 122.14 1bsh n SER 17 Ca -0.08 -2.64 0.04 0.00 -0.26 0.00 0.00 58.87 55.93 1bsh n SER 17 Cb 0.48 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1bsh n SER 17 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1bsh s GLY 18 N -0.58 -0.17 0.97 5.00 0.00 -1.00 -5.00 107.32 106.54 1bsh s GLY 18 Ca 0.32 0.09 -0.11 0.00 0.00 0.00 0.00 44.72 45.02 1bsh s GLY 18 CO -0.17 6.57 1.12 1.08 0.00 0.00 0.00 173.10 181.71 1bsh s LEU 19 N -3.93 2.41 0.13 0.66 1.43 -1.26 -1.38 118.68 116.75 1bsh s LEU 19 Ca 0.32 2.07 -0.21 0.00 -1.03 0.00 0.00 54.13 55.27 1bsh s LEU 19 Cb -0.00 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.94 1bsh s LEU 19 CO -0.02 -3.38 0.53 0.54 0.23 0.00 0.00 176.35 174.26 1bsh s VAL 20 N -2.60 0.02 -0.03 -1.59 0.11 -0.27 -3.70 120.40 112.35 1bsh s VAL 20 Ca 0.67 -0.20 -0.03 0.00 -2.93 0.00 0.00 61.98 59.50 1bsh s VAL 20 Cb -0.23 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1bsh s VAL 20 CO 0.59 -0.11 -0.07 1.21 -3.33 0.00 0.00 175.10 173.40 1bsh n GLU 21 N -0.23 0.11 -3.57 1.54 2.13 -1.09 -1.70 120.64 117.82 1bsh n GLU 21 Ca -0.17 0.05 -0.25 0.00 0.66 0.00 0.00 57.16 57.45 1bsh n GLU 21 Cb 0.64 -0.69 -0.16 0.00 0.27 0.00 0.00 31.44 31.50 1bsh n GLU 21 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bsh s LYS 22 N -2.12 0.11 0.17 5.31 3.01 -1.17 -4.78 119.74 120.28 1bsh s LYS 22 Ca -0.07 -0.11 0.04 0.00 -1.01 0.00 0.00 55.97 54.82 1bsh s LYS 22 Cb 0.02 -1.59 -0.04 0.00 -1.01 0.00 0.00 37.83 35.22 1bsh s LYS 22 CO 0.09 -0.73 0.22 -1.50 0.51 0.00 0.00 175.35 173.93 1bsh s ILE 23 N 2.17 4.86 -0.17 2.17 2.07 -1.17 -1.12 121.20 130.01 1bsh s ILE 23 Ca 0.04 -0.96 -0.04 0.00 -1.41 0.00 0.00 60.65 58.27 1bsh s ILE 23 Cb -0.16 -3.52 0.08 0.00 0.13 0.00 0.00 42.46 39.00 1bsh s ILE 23 CO -0.15 -0.15 0.26 -1.58 -1.91 0.00 0.00 174.94 171.42 1bsh s GLN 24 N -3.31 0.18 -0.15 3.50 -0.44 0.95 -2.89 119.66 117.50 1bsh s GLN 24 Ca 0.33 0.54 -0.06 0.00 -2.50 0.00 0.00 55.36 53.67 1bsh s GLN 24 Cb -0.10 -0.47 -0.04 0.00 -1.64 0.00 0.00 33.01 30.76 1bsh s GLN 24 CO 0.26 -0.45 0.06 0.08 0.50 0.00 0.00 175.29 175.74 1bsh s VAL 25 N 2.40 4.78 -0.30 1.34 1.01 -1.25 -0.66 120.40 127.73 1bsh s VAL 25 Ca 0.04 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1bsh s VAL 25 Cb -0.14 -3.11 0.09 0.00 0.00 0.00 0.00 36.38 33.22 1bsh s VAL 25 CO -0.10 0.52 0.03 -0.89 0.00 0.00 0.00 175.10 174.66 1bsh s THR 26 N -0.12 1.67 0.00 3.92 2.01 -0.72 -3.74 115.64 118.66 1bsh s THR 26 Ca 0.07 -1.77 0.00 0.00 0.31 0.00 0.00 61.69 60.30 1bsh s THR 26 Cb -0.12 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.24 1bsh s THR 26 CO 0.01 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.07 1bsh n GLY 27 N 4.54 1.68 0.37 4.40 0.00 0.44 -2.61 105.19 114.01 1bsh n GLY 27 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bsh n SER 28 N 0.00 0.00 0.29 1.61 2.88 -1.26 -4.84 113.62 112.29 1bsh n SER 28 Ca 0.00 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.69 1bsh n SER 28 Cb 0.00 0.00 0.87 0.00 -0.75 0.00 0.00 64.21 64.33 1bsh n SER 28 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1bsh h GLU 29 N 0.00 0.00 -6.50 -1.46 4.39 -2.00 -3.42 114.58 105.59 1bsh h GLU 29 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 1bsh h GLU 29 Cb 0.00 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.50 1bsh h GLU 29 CO 0.00 0.04 -0.72 0.20 -1.16 0.00 0.00 179.01 177.37 1bsh s GLY 30 N -4.14 1.78 0.00 -3.84 0.00 -1.26 -5.00 107.32 94.85 1bsh s GLY 30 Ca -0.04 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1bsh s GLY 30 CO 0.55 -1.29 0.52 -2.21 0.00 0.00 0.00 173.10 170.67 1bsh n GLU 31 N 0.47 0.00 -4.36 2.90 2.13 -1.26 -3.20 120.64 117.32 1bsh n GLU 31 Ca -0.12 -0.50 -0.26 0.00 0.66 0.00 0.00 57.16 56.94 1bsh n GLU 31 Cb 0.53 -0.43 -0.10 0.00 0.27 0.00 0.00 31.44 31.72 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1bsh s LEU 32 N 0.00 2.80 0.00 4.31 1.43 -1.25 -4.81 118.68 121.16 1bsh s LEU 32 Ca 0.00 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 1bsh s LEU 32 Cb 0.00 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1bsh s LEU 32 CO 0.00 0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.27 1bsh n GLY 33 N -0.20 0.28 3.42 -3.19 0.00 -1.26 -3.74 105.19 100.49 1bsh n GLY 33 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1bsh n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 34 N 2.46 0.01 0.08 -0.61 -1.09 -1.14 -4.79 121.20 116.12 1bsh s ILE 34 Ca 0.00 -0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1bsh s ILE 34 Cb 0.00 -0.78 0.01 0.00 -1.58 0.00 0.00 42.46 40.11 1bsh s ILE 34 CO 0.00 -0.05 0.14 -1.22 -1.23 0.00 0.00 174.94 172.58 1bsh n TYR 35 N 2.11 -0.98 1.89 3.97 4.02 -1.26 -3.02 117.16 123.89 1bsh n TYR 35 Ca -0.16 -0.46 0.02 0.00 -0.01 0.00 0.00 57.90 57.29 1bsh n TYR 35 Cb 0.56 0.16 0.10 0.00 -0.02 0.00 0.00 39.34 40.15 1bsh n TYR 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1bsh n PRO 36 N -0.12 0.95 -0.06 -0.72 -0.04 -1.26 -2.99 135.00 130.75 1bsh n PRO 36 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1bsh n PRO 36 Cb 0.13 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1bsh n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 37 N 0.50 -1.90 3.49 0.55 0.00 -1.26 -4.99 105.19 101.58 1bsh n GLY 37 Ca 0.03 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1bsh n GLY 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 38 N -0.07 -0.62 -1.15 1.61 -0.00 -1.16 -4.95 115.22 108.88 1bsh n HIS 38 Ca 0.00 0.32 -0.29 0.00 0.46 0.00 0.00 57.72 58.21 1bsh n HIS 38 Cb 0.51 -1.91 0.20 0.00 -0.12 0.00 0.00 29.99 28.67 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh s ALA 39 N -2.11 0.81 -1.28 1.57 0.00 -1.26 -4.88 121.76 114.61 1bsh s ALA 39 Ca 0.64 -0.63 -0.18 0.00 0.00 0.00 0.00 51.96 51.79 1bsh s ALA 39 Cb -0.29 -3.01 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1bsh s ALA 39 CO 0.60 -3.15 1.93 -0.35 0.00 0.00 0.00 175.76 174.78 1bsh n PRO 40 N -4.42 2.72 -3.90 0.00 -0.04 -1.26 -4.82 135.00 123.28 1bsh n PRO 40 Ca 0.08 -2.83 -0.37 0.00 -0.04 0.00 0.00 63.50 60.34 1bsh n PRO 40 Cb 0.58 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.57 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 4.24 4.35 0.00 1.53 2.01 -1.26 -4.96 118.68 124.59 1bsh s LEU 41 Ca 0.54 0.45 0.05 0.00 0.01 0.00 0.00 54.13 55.18 1bsh s LEU 41 Cb 0.07 -2.08 0.09 0.00 0.01 0.00 0.00 46.19 44.28 1bsh s LEU 41 CO 0.04 0.40 1.00 0.00 1.01 0.00 0.00 176.35 178.80 1bsh n LEU 42 N 1.94 -0.50 0.00 1.79 -0.00 -1.25 -2.39 117.00 116.60 1bsh n LEU 42 Ca -0.20 -1.91 0.00 0.00 -0.00 0.00 0.00 56.01 53.91 1bsh n LEU 42 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1bsh n LEU 42 CO 0.31 1.23 0.00 0.35 -0.00 0.00 0.00 177.39 179.29 1bsh n THR 43 N 0.10 0.00 -3.58 1.47 -2.24 -1.22 -4.78 114.28 104.03 1bsh n THR 43 Ca -0.18 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 1bsh n THR 43 Cb 0.78 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.90 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh s ALA 44 N -2.00 3.53 0.00 6.98 0.00 -1.26 -1.40 121.76 127.61 1bsh s ALA 44 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1bsh s ALA 44 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1bsh s ALA 44 CO 0.00 -0.56 0.00 0.44 0.00 0.00 0.00 175.76 175.64 1bsh n ILE 45 N 5.06 0.00 -2.74 0.00 -5.35 -1.03 -4.95 119.36 110.35 1bsh n ILE 45 Ca -0.14 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.26 1bsh n ILE 45 Cb 0.52 0.00 0.04 0.00 -1.74 0.00 0.00 39.64 38.46 1bsh n ILE 45 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1bsh n LYS 46 N 0.00 -3.03 -2.59 6.28 5.02 -1.26 -3.83 118.16 118.75 1bsh n LYS 46 Ca 0.00 0.36 -0.32 0.00 -2.02 0.00 0.00 58.31 56.32 1bsh n LYS 46 Cb 0.00 -3.94 -0.05 0.00 -0.02 0.00 0.00 35.03 31.03 1bsh n LYS 46 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1bsh s PRO 47 N -4.93 4.05 0.82 1.97 0.04 -1.24 -4.35 135.00 131.36 1bsh s PRO 47 Ca 0.09 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1bsh s PRO 47 Cb -0.04 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1bsh s PRO 47 CO 0.31 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1bsh n GLY 48 N -1.19 -0.58 0.67 0.56 0.00 -0.87 -0.42 105.19 103.37 1bsh n GLY 48 Ca 0.07 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.39 1bsh n GLY 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bsh n MET 49 N 0.00 0.91 -3.75 1.61 0.00 -1.07 -1.61 117.12 113.20 1bsh n MET 49 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 57.70 57.06 1bsh n MET 49 Cb 0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 33.22 33.10 1bsh n MET 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1bsh s ILE 50 N 0.34 0.09 -0.18 3.17 1.01 -0.85 -1.76 121.20 123.02 1bsh s ILE 50 Ca 0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1bsh s ILE 50 Cb -0.01 -1.02 0.09 0.00 0.01 0.00 0.00 42.46 41.53 1bsh s ILE 50 CO 0.07 -0.40 0.33 -0.60 0.00 0.00 0.00 174.94 174.33 1bsh s ARG 51 N -2.88 0.25 0.30 2.79 3.52 0.17 -1.76 118.95 121.34 1bsh s ARG 51 Ca -0.03 0.73 0.10 0.00 -0.13 0.00 0.00 55.73 56.40 1bsh s ARG 51 Cb 0.00 -0.15 -0.06 0.00 -1.56 0.00 0.00 34.95 33.19 1bsh s ARG 51 CO -0.05 -0.39 -0.13 0.42 -0.81 0.00 0.00 175.30 174.33 1bsh s ILE 52 N 2.49 2.21 -0.10 4.11 1.01 -0.53 -0.03 121.20 130.36 1bsh s ILE 52 Ca 0.03 -2.27 -0.01 0.00 0.00 0.00 0.00 60.65 58.40 1bsh s ILE 52 Cb -0.13 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 39.92 1bsh s ILE 52 CO -0.12 -0.32 -0.02 -0.69 0.00 0.00 0.00 174.94 173.80 1bsh s VAL 53 N -2.66 0.61 0.00 2.92 1.01 -0.28 -2.02 120.40 119.99 1bsh s VAL 53 Ca 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1bsh s VAL 53 Cb -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1bsh s VAL 53 CO 0.15 0.25 0.00 1.17 0.00 0.00 0.00 175.10 176.66 1bsh n LYS 54 N 5.07 0.00 -4.14 2.72 4.81 -0.61 -2.67 118.16 123.34 1bsh n LYS 54 Ca -0.09 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.05 1bsh n LYS 54 Cb 0.50 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.46 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bsh n GLN 55 N 0.00 -0.89 0.00 1.64 7.27 -1.24 -1.52 117.38 122.63 1bsh n GLN 55 Ca 0.00 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.16 1bsh n GLN 55 Cb 0.00 -3.44 0.00 0.00 2.41 0.00 0.00 30.24 29.21 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1bsh n HIS 56 N -4.05 0.00 -2.75 3.69 -0.00 -1.26 -4.32 115.22 106.53 1bsh n HIS 56 Ca -0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.48 1bsh n HIS 56 Cb 0.56 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.57 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bsh n GLY 57 N 0.00 -0.57 0.00 1.57 0.00 -0.58 -5.14 105.19 100.48 1bsh n GLY 57 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1bsh n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bsh n HIS 58 N 2.65 0.00 -4.18 1.61 -0.00 -0.83 -5.04 115.22 109.42 1bsh n HIS 58 Ca 0.16 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.75 1bsh n HIS 58 Cb 0.58 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.47 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1bsh s GLU 59 N -1.18 0.87 -0.17 -0.41 -1.05 -1.26 -1.57 118.70 113.94 1bsh s GLU 59 Ca 0.00 -1.29 -0.04 0.00 -0.15 0.00 0.00 54.97 53.48 1bsh s GLU 59 Cb 0.00 -0.38 0.08 0.00 -0.44 0.00 0.00 34.13 33.39 1bsh s GLU 59 CO 0.00 0.03 0.27 -1.21 0.95 0.00 0.00 175.26 175.30 1bsh s GLU 60 N -3.46 0.19 -0.09 -4.83 2.02 -0.86 -4.98 118.70 106.70 1bsh s GLU 60 Ca 0.10 0.59 -0.04 0.00 0.02 0.00 0.00 54.97 55.64 1bsh s GLU 60 Cb 0.02 -0.40 -0.04 0.00 0.10 0.00 0.00 34.13 33.82 1bsh s GLU 60 CO -0.02 -0.43 0.08 -0.59 0.02 0.00 0.00 175.26 174.31 1bsh s PHE 61 N 2.42 3.39 0.00 1.61 -0.12 -1.26 -1.45 117.98 122.57 1bsh s PHE 61 Ca 0.04 0.36 0.00 0.00 -0.05 0.00 0.00 56.93 57.28 1bsh s PHE 61 Cb -0.13 -1.86 0.00 0.00 -0.63 0.00 0.00 43.02 40.40 1bsh s PHE 61 CO -0.11 0.61 0.00 -0.89 -0.05 0.00 0.00 175.22 174.78 1bsh n ILE 62 N 1.96 0.00 -3.16 -4.49 5.41 -0.72 -4.32 119.36 114.04 1bsh n ILE 62 Ca -0.19 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.62 1bsh n ILE 62 Cb 0.54 -0.14 -0.02 0.00 -0.71 0.00 0.00 39.64 39.31 1bsh n ILE 62 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1bsh s TYR 63 N 1.60 -0.20 0.39 1.39 5.04 -1.26 -2.02 117.35 122.29 1bsh s TYR 63 Ca 0.00 0.23 0.06 0.00 -2.44 0.00 0.00 57.07 54.92 1bsh s TYR 63 Cb 0.00 0.08 -0.02 0.00 0.35 0.00 0.00 41.96 42.36 1bsh s TYR 63 CO 0.00 -0.11 0.21 1.28 -1.34 0.00 0.00 175.55 175.60 1bsh n LEU 64 N 5.37 0.00 0.00 6.97 4.32 -0.63 -2.98 117.00 130.05 1bsh n LEU 64 Ca -0.09 -3.24 0.00 0.00 -0.02 0.00 0.00 56.01 52.66 1bsh n LEU 64 Cb 0.55 1.36 0.00 0.00 -1.62 0.00 0.00 43.42 43.71 1bsh n LEU 64 CO -0.13 -0.52 0.00 -1.20 -1.22 0.00 0.00 177.39 174.32 1bsh n SER 65 N -1.57 0.00 -3.15 -1.43 7.64 -1.26 -2.04 113.62 111.80 1bsh n SER 65 Ca 0.00 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 1bsh n SER 65 Cb 0.63 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.78 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bsh n GLY 66 N 3.15 4.11 3.81 0.23 0.00 -1.26 -3.66 105.19 111.58 1bsh n GLY 66 Ca 0.00 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N 0.41 -0.58 3.54 -0.02 0.00 -1.25 -4.80 105.19 102.48 1bsh n GLY 67 Ca 0.26 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1bsh n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 68 N -3.51 5.07 0.21 -0.61 -1.09 -1.13 -2.47 121.20 117.67 1bsh s ILE 68 Ca 0.70 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 59.11 1bsh s ILE 68 Cb -0.03 -3.47 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 1bsh s ILE 68 CO 0.48 0.18 0.34 -0.76 -1.23 0.00 0.00 174.94 173.96 1bsh s LEU 69 N 1.71 4.30 -0.22 2.97 2.01 -0.49 -2.20 118.68 126.77 1bsh s LEU 69 Ca 0.06 0.15 -0.14 0.00 0.01 0.00 0.00 54.13 54.21 1bsh s LEU 69 Cb -0.16 -2.93 0.06 0.00 0.01 0.00 0.00 46.19 43.18 1bsh s LEU 69 CO 0.09 -0.03 0.54 -0.70 1.01 0.00 0.00 176.35 177.26 1bsh s GLU 70 N -3.67 0.57 -0.15 1.70 2.12 -0.39 -3.45 118.70 115.44 1bsh s GLU 70 Ca 0.35 0.92 -0.08 0.00 0.36 0.00 0.00 54.97 56.52 1bsh s GLU 70 Cb -0.10 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1bsh s GLU 70 CO 0.29 -0.13 0.15 0.54 -0.54 0.00 0.00 175.26 175.57 1bsh s VAL 71 N 1.14 5.46 0.45 3.70 0.11 -1.00 -2.22 120.40 128.04 1bsh s VAL 71 Ca -0.07 0.23 0.05 0.00 -2.93 0.00 0.00 61.98 59.26 1bsh s VAL 71 Cb -0.06 -3.44 -0.05 0.00 -1.53 0.00 0.00 36.38 31.30 1bsh s VAL 71 CO -0.11 0.55 0.04 -1.10 -3.33 0.00 0.00 175.10 171.15 1bsh s GLN 72 N -0.51 2.09 -1.31 1.54 1.11 -0.27 -4.96 119.66 117.34 1bsh s GLN 72 Ca 0.13 -2.20 -0.17 0.00 0.01 0.00 0.00 55.36 53.14 1bsh s GLN 72 Cb -0.12 -1.65 0.02 0.00 -1.01 0.00 0.00 33.01 30.25 1bsh s GLN 72 CO 0.02 -0.20 2.04 -0.35 0.01 0.00 0.00 175.29 176.81 1bsh n PRO 73 N -1.14 2.71 0.00 2.91 -0.04 -1.26 -3.41 135.00 134.76 1bsh n PRO 73 Ca -0.10 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1bsh n PRO 73 Cb 0.67 -3.33 0.00 0.00 -0.04 0.00 0.00 33.50 30.80 1bsh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 74 N 4.60 0.90 1.90 0.55 0.00 -1.26 -5.07 105.19 106.81 1bsh n GLY 74 Ca 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 1bsh n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bsh n ASN 75 N 0.00 -0.88 -3.58 1.61 4.13 -1.22 -3.06 115.26 112.25 1bsh n ASN 75 Ca 0.00 -1.99 -0.16 0.00 1.68 0.00 0.00 54.58 54.10 1bsh n ASN 75 Cb 0.00 1.58 -0.07 0.00 -1.54 0.00 0.00 39.78 39.75 1bsh n ASN 75 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1bsh s VAL 76 N -2.61 0.01 0.06 2.41 1.01 0.11 -1.12 120.40 120.27 1bsh s VAL 76 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1bsh s VAL 76 Cb -0.01 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1bsh s VAL 76 CO 0.10 -0.02 -0.05 0.42 0.00 0.00 0.00 175.10 175.55 1bsh s THR 77 N -0.71 0.39 -0.29 3.92 -4.23 -0.94 -1.02 115.64 112.77 1bsh s THR 77 Ca -0.08 -1.64 -0.21 0.00 -1.18 0.00 0.00 61.69 58.58 1bsh s THR 77 Cb -0.02 -1.30 0.13 0.00 1.34 0.00 0.00 72.50 72.66 1bsh s THR 77 CO 0.07 -0.82 1.01 0.54 -0.54 0.00 0.00 174.62 174.87 1bsh s VAL 78 N -3.20 0.00 -0.24 2.29 0.11 -0.66 -1.26 120.40 117.44 1bsh s VAL 78 Ca 0.03 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.09 1bsh s VAL 78 Cb 0.03 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 1bsh s VAL 78 CO -0.06 0.00 -0.04 -0.76 -3.33 0.00 0.00 175.10 170.91 1bsh s LEU 79 N 0.70 2.64 0.58 2.54 1.43 -0.93 -2.44 118.68 123.19 1bsh s LEU 79 Ca -0.02 -1.24 0.08 0.00 -1.03 0.00 0.00 54.13 51.92 1bsh s LEU 79 Cb -0.04 -1.18 0.08 0.00 0.03 0.00 0.00 46.19 45.07 1bsh s LEU 79 CO -0.10 -0.25 0.66 0.00 0.23 0.00 0.00 176.35 176.89 1bsh s ALA 80 N 1.39 4.64 -0.20 4.21 0.00 -1.13 -2.85 121.76 127.83 1bsh s ALA 80 Ca -0.04 -1.81 -0.02 0.00 0.00 0.00 0.00 51.96 50.09 1bsh s ALA 80 Cb -0.19 -1.17 -0.12 0.00 0.00 0.00 0.00 23.12 21.65 1bsh s ALA 80 CO -0.07 -0.75 -0.20 -3.47 0.00 0.00 0.00 175.76 171.28 1bsh n ASP 81 N -2.10 2.21 -4.18 0.00 2.03 -1.26 -4.55 116.55 108.71 1bsh n ASP 81 Ca 0.09 -0.01 -0.39 0.00 0.52 0.00 0.00 54.79 55.01 1bsh n ASP 81 Cb 0.63 -0.39 -0.10 0.00 -0.72 0.00 0.00 41.12 40.54 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1bsh s THR 82 N -2.38 3.83 -0.43 5.18 2.01 -1.26 -4.74 115.64 117.85 1bsh s THR 82 Ca -0.27 -1.87 0.03 0.00 0.31 0.00 0.00 61.69 59.90 1bsh s THR 82 Cb 0.08 -3.55 0.12 0.00 0.01 0.00 0.00 72.50 69.16 1bsh s THR 82 CO 0.42 -0.72 0.17 0.00 -0.69 0.00 0.00 174.62 173.80 1bsh s ALA 83 N 1.28 2.85 -0.99 7.40 0.00 -1.26 -4.27 121.76 126.77 1bsh s ALA 83 Ca 0.06 -2.79 -0.11 0.00 0.00 0.00 0.00 51.96 49.12 1bsh s ALA 83 Cb -0.25 -2.01 0.25 0.00 0.00 0.00 0.00 23.12 21.12 1bsh s ALA 83 CO -0.02 -1.88 0.96 0.42 0.00 0.00 0.00 175.76 175.24 1bsh s ILE 84 N 0.37 5.82 0.21 0.00 1.09 -1.16 -4.97 121.20 122.57 1bsh s ILE 84 Ca 0.14 -3.01 -0.30 0.00 -1.10 0.00 0.00 60.65 56.38 1bsh s ILE 84 Cb -0.23 -4.54 -0.10 0.00 -1.06 0.00 0.00 42.46 36.54 1bsh s ILE 84 CO -0.05 -1.12 1.43 0.00 -0.10 0.00 0.00 174.94 175.10 1bsh s ARG 85 N -0.64 4.29 4.25 2.79 1.70 -1.26 -4.50 118.95 125.57 1bsh s ARG 85 Ca 0.25 2.24 0.00 0.00 -0.47 0.00 0.00 55.73 57.75 1bsh s ARG 85 Cb -0.10 -3.15 0.00 0.00 -0.57 0.00 0.00 34.95 31.13 1bsh s ARG 85 CO -0.08 -0.42 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 1bsh n GLY 86 N 2.58 3.30 2.61 3.88 0.00 -1.26 -2.16 105.19 114.14 1bsh n GLY 86 Ca 0.08 0.20 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 1bsh n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLN 87 N 14.00 2.87 0.11 1.61 10.64 -1.26 -4.56 117.38 140.79 1bsh n GLN 87 Ca 0.00 -4.35 0.09 0.00 -1.83 0.00 0.00 57.00 50.90 1bsh n GLN 87 Cb 0.00 -2.07 0.42 0.00 -0.86 0.00 0.00 30.24 27.74 1bsh n GLN 87 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1bsh n ASP 88 N -0.30 0.42 0.00 2.61 5.68 -0.92 -4.29 116.55 119.76 1bsh n ASP 88 Ca 0.31 0.67 0.00 0.00 -0.50 0.00 0.00 54.79 55.27 1bsh n ASP 88 Cb 0.60 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1bsh n LEU 89 N -2.03 0.00 0.00 -2.12 4.77 -1.26 -5.09 117.00 111.27 1bsh n LEU 89 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1bsh n LEU 89 Cb 0.08 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1bsh n LEU 89 CO 0.10 0.00 -0.16 0.47 -1.33 0.00 0.00 177.39 176.48 1bsh n ASP 90 N 0.00 3.27 0.00 -1.43 8.00 -1.26 -5.07 116.55 120.06 1bsh n ASP 90 Ca 0.00 -3.19 0.00 0.00 0.71 0.00 0.00 54.79 52.31 1bsh n ASP 90 Cb 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1bsh n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1bsh n GLU 91 N -1.45 0.00 0.15 -1.24 0.28 -1.26 -4.70 120.64 112.43 1bsh n GLU 91 Ca -0.16 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 56.96 1bsh n GLU 91 Cb 0.66 -0.23 0.17 0.00 1.43 0.00 0.00 31.44 33.47 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bsh h ALA 92 N 0.00 0.84 -0.14 -1.84 0.00 -2.01 -3.17 119.26 112.94 1bsh h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bsh h ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1bsh n ARG 93 N -2.74 1.69 0.03 0.00 1.74 -1.26 -3.58 116.66 112.54 1bsh n ARG 93 Ca 0.03 -1.03 0.12 0.00 -0.77 0.00 0.00 57.85 56.20 1bsh n ARG 93 Cb 0.51 -1.40 0.15 0.00 -1.02 0.00 0.00 32.46 30.69 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bsh n ALA 94 N 0.25 3.24 0.32 7.54 0.00 -1.20 -3.70 120.51 126.96 1bsh n ALA 94 Ca 0.17 -0.32 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1bsh n ALA 94 Cb 0.32 -1.10 0.15 0.00 0.00 0.00 0.00 19.45 18.82 1bsh n ALA 94 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.75 -3.23 114.93 112.81 1bsh h MET 95 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bsh h MET 95 Cb 0.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1bsh h MET 95 CO 0.00 0.00 -0.06 0.39 1.06 0.00 0.00 176.91 178.30 1bsh n GLU 96 N -2.61 0.27 0.00 1.72 1.02 -1.24 -3.01 120.64 116.80 1bsh n GLU 96 Ca 0.03 0.21 0.15 0.00 -0.02 0.00 0.00 57.16 57.52 1bsh n GLU 96 Cb 0.50 -1.80 0.70 0.00 -0.02 0.00 0.00 31.44 30.82 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 97 N -1.80 2.58 0.05 0.62 0.00 -1.22 -3.25 120.51 117.49 1bsh n ALA 97 Ca 0.05 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1bsh n ALA 97 Cb 0.43 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 1bsh n ALA 97 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bsh h LYS 98 N 0.15 0.00 0.00 0.00 3.11 -1.72 -3.20 116.57 114.91 1bsh h LYS 98 Ca 0.00 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.80 1bsh h LYS 98 Cb 0.32 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.54 1bsh h LYS 98 CO 0.00 0.21 -1.03 0.00 -2.81 0.00 0.00 179.45 175.83 1bsh h ARG 99 N 0.00 0.00 0.04 1.90 2.47 -1.71 -2.26 114.38 114.82 1bsh h ARG 99 Ca -0.12 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.35 1bsh h ARG 99 Cb 1.43 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.72 1bsh h ARG 99 CO 0.03 0.08 -1.25 0.87 0.56 0.00 0.00 179.97 180.26 1bsh h LYS 100 N 0.00 0.09 0.12 0.04 1.57 -1.67 -3.06 116.57 113.66 1bsh h LYS 100 Ca -0.04 -0.16 -0.36 0.00 -1.87 0.00 0.00 60.65 58.22 1bsh h LYS 100 Cb 1.14 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1bsh h LYS 100 CO 0.01 0.98 -1.99 0.00 -0.57 0.00 0.00 179.45 177.88 1bsh n ALA 101 N -2.47 0.91 0.38 3.86 0.00 -1.21 -3.56 120.51 118.42 1bsh n ALA 101 Ca -0.07 -0.60 0.08 0.00 0.00 0.00 0.00 53.44 52.85 1bsh n ALA 101 Cb 0.99 -0.68 0.34 0.00 0.00 0.00 0.00 19.45 20.10 1bsh n ALA 101 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bsh n GLU 102 N -3.47 0.06 -0.00 0.00 2.13 -0.85 -1.66 120.64 116.86 1bsh n GLU 102 Ca -0.32 0.36 -0.18 0.00 0.66 0.00 0.00 57.16 57.68 1bsh n GLU 102 Cb 1.05 -1.64 -0.14 0.00 0.27 0.00 0.00 31.44 30.98 1bsh n GLU 102 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bsh n GLU 103 N -1.76 0.73 0.08 5.31 2.13 -1.15 -3.16 120.64 122.81 1bsh n GLU 103 Ca 0.02 0.27 -0.07 0.00 0.66 0.00 0.00 57.16 58.04 1bsh n GLU 103 Cb 0.16 -1.73 -0.07 0.00 0.27 0.00 0.00 31.44 30.06 1bsh n GLU 103 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1bsh h HIS 104 N 0.05 0.06 -0.16 4.31 3.86 -1.53 -3.09 115.15 118.67 1bsh h HIS 104 Ca -0.39 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1bsh h HIS 104 Cb 2.03 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.50 1bsh h HIS 104 CO 0.06 0.97 0.00 -0.89 0.86 0.00 0.00 177.93 178.93 1bsh n ILE 105 N -3.45 0.20 -1.52 2.45 5.41 -0.66 -4.86 119.36 116.92 1bsh n ILE 105 Ca -0.01 -0.33 -0.28 0.00 1.00 0.00 0.00 62.75 63.13 1bsh n ILE 105 Cb 0.89 0.34 -0.16 0.00 -0.71 0.00 0.00 39.64 40.00 1bsh n ILE 105 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1bsh n SER 106 N 0.26 0.05 -0.67 4.38 2.88 -1.17 -3.88 113.62 115.47 1bsh n SER 106 Ca 0.16 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1bsh n SER 106 Cb 0.32 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.82 1bsh n SER 106 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bsh n SER 107 N 10.44 -3.01 -3.68 -3.46 2.88 -1.26 -5.09 113.62 110.43 1bsh n SER 107 Ca 0.60 0.20 -0.14 0.00 -1.33 0.00 0.00 58.87 58.20 1bsh n SER 107 Cb 0.20 -1.38 -0.09 0.00 -0.75 0.00 0.00 64.21 62.20 1bsh n SER 107 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1bsh s SER 108 N -0.20 -0.55 0.19 -3.46 0.01 -1.25 -5.13 113.70 103.31 1bsh s SER 108 Ca 0.00 1.01 0.01 0.00 1.31 0.00 0.00 55.95 58.28 1bsh s SER 108 Cb 0.00 1.02 0.01 0.00 0.21 0.00 0.00 66.02 67.27 1bsh s SER 108 CO 0.00 -0.23 0.12 1.41 0.41 0.00 0.00 173.24 174.95 1bsh n HIS 109 N 2.57 -0.96 -0.48 2.43 8.25 -1.26 -5.03 115.22 120.73 1bsh n HIS 109 Ca -0.14 -0.83 0.00 0.00 -0.26 0.00 0.00 57.72 56.49 1bsh n HIS 109 Cb 0.56 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 110 N 2.70 -2.41 0.00 -1.41 0.00 -1.26 -4.27 105.19 98.55 1bsh n GLY 110 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 46.02 45.17 1bsh n GLY 110 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1bsh h ASP 111 N 0.00 -0.02 0.00 1.61 1.82 -2.00 -3.33 116.42 114.50 1bsh h ASP 111 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1bsh h ASP 111 Cb 0.00 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.02 1bsh h ASP 111 CO 0.00 -0.00 -0.01 1.33 -1.61 0.00 0.00 179.24 178.95 1bsh n VAL 112 N -2.58 1.13 0.00 2.25 0.24 -1.26 -4.54 118.33 113.57 1bsh n VAL 112 Ca -0.00 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.09 1bsh n VAL 112 Cb 0.00 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -0.67 0.00 0.00 -1.34 -0.08 -1.25 -3.12 116.55 110.09 1bsh n ASP 113 Ca 0.03 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.43 1bsh n ASP 113 Cb 0.35 0.00 0.60 0.00 2.34 0.00 0.00 41.12 44.41 1bsh n ASP 113 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bsh n TYR 114 N 0.00 0.00 1.19 -0.67 4.19 -1.26 -2.44 117.16 118.17 1bsh n TYR 114 Ca 0.00 0.00 0.14 0.00 3.31 0.00 0.00 57.90 61.35 1bsh n TYR 114 Cb 0.00 -0.27 0.63 0.00 0.49 0.00 0.00 39.34 40.19 1bsh n TYR 114 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1bsh n ALA 115 N -1.27 2.55 0.09 2.98 0.00 -1.26 -3.34 120.51 120.25 1bsh n ALA 115 Ca 0.12 -0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1bsh n ALA 115 Cb 0.19 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 1bsh n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bsh h GLN 116 N 0.08 0.00 0.00 0.00 -0.00 -1.42 -3.04 115.11 110.73 1bsh h GLN 116 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1bsh h GLN 116 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.89 1bsh h GLN 116 CO 0.00 0.86 0.00 0.00 0.00 0.00 0.00 178.83 179.69 1bsh n ALA 117 N -2.35 2.35 1.11 3.38 0.00 -1.21 -2.86 120.51 120.92 1bsh n ALA 117 Ca -0.00 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1bsh n ALA 117 Cb 0.85 -1.45 0.65 0.00 0.00 0.00 0.00 19.45 19.50 1bsh n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bsh n SER 118 N -1.32 0.00 0.01 0.00 2.88 -1.15 -3.19 113.62 110.85 1bsh n SER 118 Ca 0.12 0.32 -0.15 0.00 -1.33 0.00 0.00 58.87 57.83 1bsh n SER 118 Cb 0.23 -0.44 -0.14 0.00 -0.75 0.00 0.00 64.21 63.11 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh h ALA 119 N 3.11 0.54 0.00 -1.46 0.00 -1.70 -3.04 119.26 116.70 1bsh h ALA 119 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 54.91 53.44 1bsh h ALA 119 Cb 0.43 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1bsh h ALA 119 CO 0.00 1.39 -0.57 1.05 0.00 0.00 0.00 179.25 181.12 1bsh h GLU 120 N 0.04 0.00 0.17 0.00 4.11 -1.73 -1.76 114.58 115.42 1bsh h GLU 120 Ca -0.32 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.84 1bsh h GLU 120 Cb 2.02 0.00 0.03 0.00 0.50 0.00 0.00 28.75 31.30 1bsh h GLU 120 CO 0.10 0.57 -1.15 1.25 0.07 0.00 0.00 179.01 179.85 1bsh h LEU 121 N 0.00 0.71 -0.08 3.06 6.46 -1.67 -3.20 115.31 120.59 1bsh h LEU 121 Ca -0.01 -0.90 0.00 0.00 -0.12 0.00 0.00 57.88 56.85 1bsh h LEU 121 Cb 1.20 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1bsh h LEU 121 CO 0.07 1.55 0.00 0.00 -0.62 0.00 0.00 178.44 179.45 1bsh n ALA 122 N -2.69 2.10 -0.03 1.25 0.00 -1.15 -3.23 120.51 116.76 1bsh n ALA 122 Ca -0.15 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.37 1bsh n ALA 122 Cb 0.96 -1.41 0.54 0.00 0.00 0.00 0.00 19.45 19.54 1bsh n ALA 122 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1bsh h LYS 123 N 0.00 0.30 0.00 0.00 5.09 -1.30 0.15 116.57 120.80 1bsh h LYS 123 Ca 0.00 -0.02 -0.12 0.00 0.09 0.00 0.00 60.65 60.60 1bsh h LYS 123 Cb 0.49 -0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.73 1bsh h LYS 123 CO 0.00 0.20 -0.59 0.00 -2.09 0.00 0.00 179.45 176.96 1bsh h ALA 124 N 1.73 0.72 -0.02 0.07 0.00 -1.74 -2.89 119.26 117.14 1bsh h ALA 124 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bsh h ALA 124 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bsh h ALA 124 CO -0.05 0.74 0.00 -0.89 0.00 0.00 0.00 179.25 179.05 1bsh n ILE 125 N -3.40 0.02 0.16 0.00 -0.00 0.48 -3.39 119.36 113.22 1bsh n ILE 125 Ca 0.01 -0.06 0.03 0.00 -0.00 0.00 0.00 62.75 62.73 1bsh n ILE 125 Cb 0.70 -0.23 0.21 0.00 -0.00 0.00 0.00 39.64 40.33 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bsh h ALA 126 N 3.84 0.86 0.00 -1.39 0.00 -1.22 -2.67 119.26 118.68 1bsh h ALA 126 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1bsh h ALA 126 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1bsh h ALA 126 CO 0.00 0.61 0.00 1.04 0.00 0.00 0.00 179.25 180.90 1bsh n GLN 127 N -3.48 0.36 0.20 0.00 6.02 -1.22 -2.58 117.38 116.68 1bsh n GLN 127 Ca 0.00 0.07 0.12 0.00 -0.01 0.00 0.00 57.00 57.18 1bsh n GLN 127 Cb 0.61 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.59 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1bsh h LEU 128 N 0.00 0.00 0.01 1.08 6.46 -1.71 -2.26 115.31 118.89 1bsh h LEU 128 Ca 0.00 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.52 1bsh h LEU 128 Cb 0.19 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1bsh h LEU 128 CO 0.00 0.00 -1.32 0.54 -0.62 0.00 0.00 178.44 177.04 1bsh n ARG 129 N -2.97 0.58 -0.15 1.25 3.00 -1.06 -3.80 116.66 113.51 1bsh n ARG 129 Ca 0.04 0.56 -0.08 0.00 -0.01 0.00 0.00 57.85 58.36 1bsh n ARG 129 Cb 0.51 -1.74 0.07 0.00 0.00 0.00 0.00 32.46 31.29 1bsh n ARG 129 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1bsh h VAL 130 N -0.95 1.26 -0.98 1.55 -1.51 -1.68 -2.78 116.25 111.17 1bsh h VAL 130 Ca -0.36 -1.23 0.11 0.00 -1.23 0.00 0.00 66.70 64.00 1bsh h VAL 130 Cb 1.35 0.99 -0.08 0.00 -2.13 0.00 0.00 31.29 31.42 1bsh h VAL 130 CO -0.20 0.43 0.62 -0.29 -1.23 0.00 0.00 177.57 176.90 1bsh h ILE 131 N 0.82 0.93 -1.11 7.19 2.10 -1.59 -0.62 117.51 125.24 1bsh h ILE 131 Ca 0.13 -0.33 0.37 0.00 1.08 0.00 0.00 64.86 66.11 1bsh h ILE 131 Cb 0.64 -0.12 -0.14 0.00 -1.09 0.00 0.00 36.82 36.10 1bsh h ILE 131 CO 0.04 0.18 0.67 -0.33 -1.08 0.00 0.00 178.15 177.63 1bsh h GLU 132 N 0.97 0.20 0.14 2.19 4.39 -1.59 0.49 114.58 121.37 1bsh h GLU 132 Ca 0.48 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.16 1bsh h GLU 132 Cb 0.47 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1bsh h GLU 132 CO -0.24 0.13 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.61 1bsh h LEU 133 N 0.20 -0.16 -1.84 1.33 4.07 -1.25 -2.15 115.31 115.51 1bsh h LEU 133 Ca 0.77 -0.11 0.25 0.00 0.08 0.00 0.00 57.88 58.87 1bsh h LEU 133 Cb 2.04 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 43.77 1bsh h LEU 133 CO -0.54 0.02 0.65 0.71 -1.08 0.00 0.00 178.44 178.20 1bsh h THR 134 N -0.32 0.56 -0.61 0.22 1.35 -0.10 0.20 112.91 114.21 1bsh h THR 134 Ca -0.02 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1bsh h THR 134 Cb 0.26 0.44 -0.03 0.00 -1.73 0.00 0.00 68.15 67.08 1bsh h THR 134 CO 0.03 0.02 0.30 0.11 -0.25 0.00 0.00 175.52 175.73 1bsh h LYS 135 N 0.12 0.88 -0.66 4.72 1.57 -0.77 -2.10 116.57 120.32 1bsh h LYS 135 Ca 0.46 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 59.09 1bsh h LYS 135 Cb 1.62 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.75 1bsh h LYS 135 CO -0.07 0.70 0.03 1.63 -0.57 0.00 0.00 179.45 181.18 1bsh n LYS 136 N -4.52 4.29 -0.01 3.15 4.76 0.59 -4.41 118.16 122.01 1bsh n LYS 136 Ca 0.04 -2.76 -0.08 0.00 -2.87 0.00 0.00 58.31 52.64 1bsh n LYS 136 Cb 0.12 -2.17 -0.07 0.00 -1.84 0.00 0.00 35.03 31.08 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bsh h ALA 137 N 3.61 -0.10 0.00 7.82 0.00 -0.48 -3.50 119.26 126.60 1bsh h ALA 137 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bsh h ALA 137 Cb 1.85 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1bsh h ALA 137 CO 0.47 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.59