#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh n MET 2 N 0.00 -2.26 -1.77 0.00 -0.00 -1.26 -4.70 117.12 107.14 1bsh n MET 2 Ca 0.00 -0.66 0.00 0.00 -0.00 0.00 0.00 57.70 57.04 1bsh n MET 2 Cb 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 33.22 31.68 1bsh n MET 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1bsh n THR 3 N -4.49 -3.60 -3.37 3.17 5.66 -1.26 -5.02 114.28 105.36 1bsh n THR 3 Ca 0.05 1.67 0.00 0.00 -3.05 0.00 0.00 64.05 62.72 1bsh n THR 3 Cb 0.44 -2.15 0.00 0.00 -1.55 0.00 0.00 70.33 67.06 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n TYR 4 N 0.53 -1.16 -4.64 1.09 0.18 0.13 -4.79 117.16 108.50 1bsh n TYR 4 Ca 0.00 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.44 1bsh n TYR 4 Cb 0.00 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 38.84 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1bsh s HIS 5 N 0.18 2.91 0.25 -3.48 5.65 -1.07 -0.20 115.29 119.52 1bsh s HIS 5 Ca 0.00 -0.11 0.07 0.00 0.25 0.00 0.00 55.06 55.27 1bsh s HIS 5 Cb 0.00 -1.75 -0.05 0.00 -1.18 0.00 0.00 32.58 29.60 1bsh s HIS 5 CO 0.00 0.21 -0.10 -0.48 -0.65 0.00 0.00 174.74 173.72 1bsh s LEU 6 N -0.52 2.52 -0.28 8.88 0.05 -0.98 0.21 118.68 128.55 1bsh s LEU 6 Ca 0.08 -1.12 0.01 0.00 0.05 0.00 0.00 54.13 53.15 1bsh s LEU 6 Cb -0.12 -0.68 0.15 0.00 -2.05 0.00 0.00 46.19 43.49 1bsh s LEU 6 CO 0.02 -0.25 0.38 -0.62 -0.55 0.00 0.00 176.35 175.33 1bsh s ASP 7 N -3.40 0.65 -0.24 1.48 2.15 0.82 -2.90 116.67 115.23 1bsh s ASP 7 Ca 0.27 -0.39 -0.11 0.00 0.43 0.00 0.00 52.55 52.75 1bsh s ASP 7 Cb 0.01 0.97 -0.05 0.00 -0.30 0.00 0.00 42.92 43.56 1bsh s ASP 7 CO 0.10 -0.36 0.17 0.54 -0.17 0.00 0.00 175.17 175.46 1bsh s VAL 8 N 2.50 5.35 0.02 1.11 0.11 -0.90 -2.12 120.40 126.48 1bsh s VAL 8 Ca 0.10 0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1bsh s VAL 8 Cb -0.13 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.19 1bsh s VAL 8 CO -0.29 0.33 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.07 1bsh s VAL 9 N 1.12 0.40 0.00 2.04 1.01 -0.74 -3.91 120.40 120.32 1bsh s VAL 9 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1bsh s VAL 9 Cb -0.14 -0.44 0.00 0.00 0.00 0.00 0.00 36.38 35.80 1bsh s VAL 9 CO 0.05 -0.25 0.00 -1.20 0.00 0.00 0.00 175.10 173.70 1bsh n SER 10 N 1.98 0.00 0.00 3.32 7.64 -1.25 -2.23 113.62 123.08 1bsh n SER 10 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1bsh n SER 10 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh n ALA 11 N -3.00 -0.00 -2.89 -0.43 0.00 -1.24 -4.40 120.51 108.55 1bsh n ALA 11 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1bsh n ALA 11 Cb 0.00 0.35 0.03 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.84 0.87 -3.68 0.00 1.02 -1.26 -5.12 120.64 110.64 1bsh n GLU 12 Ca 0.00 -2.31 -0.13 0.00 -0.02 0.00 0.00 57.16 54.70 1bsh n GLU 12 Cb 0.00 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.01 1bsh n GLU 12 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1bsh s GLN 13 N -0.24 0.66 -0.01 3.49 2.00 -1.26 -5.15 119.66 119.15 1bsh s GLN 13 Ca 0.31 0.83 -0.16 0.00 -2.00 0.00 0.00 55.36 54.34 1bsh s GLN 13 Cb 0.26 0.29 -0.06 0.00 0.80 0.00 0.00 33.01 34.30 1bsh s GLN 13 CO -0.14 -0.09 0.45 -0.65 -0.50 0.00 0.00 175.29 174.36 1bsh s GLN 14 N 0.47 4.04 0.14 1.67 1.11 -1.26 -3.90 119.66 121.92 1bsh s GLN 14 Ca -0.01 0.47 0.00 0.00 0.01 0.00 0.00 55.36 55.83 1bsh s GLN 14 Cb -0.04 -3.26 0.00 0.00 -1.01 0.00 0.00 33.01 28.70 1bsh s GLN 14 CO -0.01 0.59 0.00 -1.33 0.01 0.00 0.00 175.29 174.55 1bsh n MET 15 N 2.11 0.00 -4.45 2.91 2.81 -1.25 -5.08 117.12 114.17 1bsh n MET 15 Ca -0.12 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.55 1bsh n MET 15 Cb 0.52 -0.35 -0.16 0.00 -0.71 0.00 0.00 33.22 32.52 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 -1.94 1.12 -0.32 2.03 5.36 -1.26 -5.04 117.98 117.93 1bsh s PHE 16 Ca 0.00 -0.33 0.03 0.00 -0.96 0.00 0.00 56.93 55.67 1bsh s PHE 16 Cb 0.00 -0.82 0.19 0.00 -0.34 0.00 0.00 43.02 42.06 1bsh s PHE 16 CO 0.00 -0.16 0.69 -1.54 -1.46 0.00 0.00 175.22 172.75 1bsh s SER 17 N 0.40 -1.37 0.00 6.13 1.04 -1.26 -2.11 113.70 116.53 1bsh s SER 17 Ca -0.07 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1bsh s SER 17 Cb -0.12 1.83 0.00 0.00 0.10 0.00 0.00 66.02 67.83 1bsh s SER 17 CO 0.01 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1bsh n GLY 18 N 5.07 -0.57 3.75 7.32 0.00 -1.14 -5.03 105.19 114.59 1bsh n GLY 18 Ca 0.07 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.10 1bsh n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bsh s LEU 19 N 0.00 2.75 -0.28 0.99 1.43 -1.26 -2.32 118.68 119.99 1bsh s LEU 19 Ca 0.00 1.68 -0.33 0.00 -1.03 0.00 0.00 54.13 54.45 1bsh s LEU 19 Cb 0.00 -4.28 0.18 0.00 0.03 0.00 0.00 46.19 42.11 1bsh s LEU 19 CO 0.00 -2.22 1.35 0.54 0.23 0.00 0.00 176.35 176.25 1bsh s VAL 20 N -2.93 0.00 0.00 -1.59 0.11 0.72 -4.22 120.40 112.48 1bsh s VAL 20 Ca 0.62 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.67 1bsh s VAL 20 Cb -0.17 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.68 1bsh s VAL 20 CO 0.56 0.00 0.00 -1.84 -3.33 0.00 0.00 175.10 170.49 1bsh n GLU 21 N 0.31 0.00 -3.19 1.54 -0.00 -1.08 0.20 120.64 118.43 1bsh n GLU 21 Ca 0.01 0.00 -0.38 0.00 -0.00 0.00 0.00 57.16 56.80 1bsh n GLU 21 Cb 0.58 -0.19 -0.02 0.00 -0.00 0.00 0.00 31.44 31.80 1bsh n GLU 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1bsh n LYS 22 N -1.11 3.74 -4.06 3.44 3.00 -1.16 -3.97 118.16 118.03 1bsh n LYS 22 Ca 0.00 -4.59 -0.35 0.00 -0.00 0.00 0.00 58.31 53.38 1bsh n LYS 22 Cb 0.00 -2.43 -0.07 0.00 0.00 0.00 0.00 35.03 32.53 1bsh n LYS 22 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1bsh s ILE 23 N -2.55 5.01 -0.15 3.15 -4.36 -1.16 -1.30 121.20 119.84 1bsh s ILE 23 Ca 0.33 -0.11 -0.07 0.00 -0.26 0.00 0.00 60.65 60.54 1bsh s ILE 23 Cb 0.06 -3.22 0.06 0.00 1.25 0.00 0.00 42.46 40.62 1bsh s ILE 23 CO 0.05 0.50 0.34 0.00 0.24 0.00 0.00 174.94 176.07 1bsh s GLN 24 N -1.31 0.28 -0.35 0.37 -2.07 0.38 -1.27 119.66 115.70 1bsh s GLN 24 Ca 0.18 0.74 -0.14 0.00 -1.82 0.00 0.00 55.36 54.33 1bsh s GLN 24 Cb -0.12 0.00 -0.01 0.00 -1.09 0.00 0.00 33.01 31.79 1bsh s GLN 24 CO 0.08 -0.20 0.28 0.14 -1.32 0.00 0.00 175.29 174.28 1bsh s VAL 25 N 1.74 5.25 -0.43 3.63 -7.23 -1.25 -1.30 120.40 120.80 1bsh s VAL 25 Ca -0.06 -0.17 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 1bsh s VAL 25 Cb -0.10 -3.77 0.04 0.00 0.56 0.00 0.00 36.38 33.11 1bsh s VAL 25 CO -0.11 -0.06 0.34 -0.89 -0.31 0.00 0.00 175.10 174.07 1bsh s THR 26 N 1.81 5.24 0.00 5.32 2.01 -0.56 -3.82 115.64 125.63 1bsh s THR 26 Ca 0.08 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1bsh s THR 26 Cb -0.17 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.34 1bsh s THR 26 CO 0.11 -0.41 0.00 0.61 -0.69 0.00 0.00 174.62 174.24 1bsh n GLY 27 N 5.17 0.71 1.78 4.40 0.00 -1.25 -2.88 105.19 113.13 1bsh n GLY 27 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.02 -4.73 1.61 2.88 -1.26 -4.94 113.62 107.20 1bsh n SER 28 Ca 0.00 0.11 -0.40 0.00 -1.33 0.00 0.00 58.87 57.25 1bsh n SER 28 Cb 0.00 0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 63.48 1bsh n SER 28 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1bsh s GLU 29 N -1.25 4.43 0.36 -1.46 0.41 -1.26 -4.88 118.70 115.05 1bsh s GLU 29 Ca 0.00 0.89 0.00 0.00 -0.41 0.00 0.00 54.97 55.45 1bsh s GLU 29 Cb 0.00 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1bsh s GLU 29 CO 0.00 0.18 0.00 0.41 -0.49 0.00 0.00 175.26 175.36 1bsh n GLY 30 N 2.80 -2.03 2.68 -1.39 0.00 -1.26 -4.93 105.19 101.06 1bsh n GLY 30 Ca -0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.59 1bsh n GLY 30 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bsh n GLU 31 N -2.13 0.21 -3.73 1.61 4.07 -1.26 -4.58 120.64 114.83 1bsh n GLU 31 Ca 0.00 -0.83 -0.13 0.00 -0.06 0.00 0.00 57.16 56.14 1bsh n GLU 31 Cb 0.23 -0.37 -0.10 0.00 -0.06 0.00 0.00 31.44 31.15 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1bsh s LEU 32 N -0.32 0.50 0.00 4.31 1.43 -1.25 -4.83 118.68 118.51 1bsh s LEU 32 Ca 0.26 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 1bsh s LEU 32 Cb 0.22 1.42 0.00 0.00 0.03 0.00 0.00 46.19 47.86 1bsh s LEU 32 CO -0.11 -0.24 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1bsh n GLY 33 N 2.37 0.02 3.50 -3.19 0.00 -1.03 -3.95 105.19 102.92 1bsh n GLY 33 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 0.97 0.00 0.42 -0.61 -1.09 -0.39 -4.90 121.20 115.59 1bsh s ILE 34 Ca 0.00 -0.01 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 1bsh s ILE 34 Cb 0.00 -0.84 -0.02 0.00 -1.58 0.00 0.00 42.46 40.02 1bsh s ILE 34 CO 0.00 -0.00 0.11 -0.72 -1.23 0.00 0.00 174.94 173.10 1bsh s TYR 35 N 0.25 1.80 -1.20 3.97 1.13 -1.26 -3.00 117.35 119.04 1bsh s TYR 35 Ca -0.01 -1.24 -0.19 0.00 -1.41 0.00 0.00 57.07 54.22 1bsh s TYR 35 Cb -0.04 -1.22 -0.02 0.00 -1.10 0.00 0.00 41.96 39.58 1bsh s TYR 35 CO 0.01 -0.23 1.94 -0.35 -2.51 0.00 0.00 175.55 174.40 1bsh n PRO 36 N -0.96 2.37 0.00 -3.49 -0.04 -1.26 -3.30 135.00 128.32 1bsh n PRO 36 Ca -0.08 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.75 1bsh n PRO 36 Cb 0.65 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 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 5.04 0.00 3.90 0.55 0.00 -1.26 -4.92 105.19 108.50 1bsh n GLY 37 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.27 1bsh n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 38 N 0.00 2.00 0.51 1.61 2.46 -1.21 -5.13 115.29 115.53 1bsh s HIS 38 Ca 0.00 -0.70 0.01 0.00 0.47 0.00 0.00 55.06 54.83 1bsh s HIS 38 Cb 0.00 -2.04 0.02 0.00 -0.13 0.00 0.00 32.58 30.43 1bsh s HIS 38 CO 0.00 -0.41 0.73 0.00 -2.47 0.00 0.00 174.74 172.59 1bsh s ALA 39 N -2.65 3.81 -1.23 1.58 0.00 -1.26 -4.99 121.76 117.02 1bsh s ALA 39 Ca 0.42 -1.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.01 1bsh s ALA 39 Cb -0.03 -2.13 0.05 0.00 0.00 0.00 0.00 23.12 21.01 1bsh s ALA 39 CO 0.26 -0.58 1.72 -1.25 0.00 0.00 0.00 175.76 175.90 1bsh s PRO 40 N -4.68 3.72 0.10 0.00 0.04 -1.26 -4.90 135.00 128.02 1bsh s PRO 40 Ca 0.53 -1.71 -0.16 0.00 0.04 0.00 0.00 61.00 59.69 1bsh s PRO 40 Cb -0.10 -5.46 -0.07 0.00 0.04 0.00 0.00 34.50 28.91 1bsh s PRO 40 CO 0.38 -2.47 0.54 -0.48 0.04 0.00 0.00 177.00 175.02 1bsh s LEU 41 N 5.26 4.44 -0.54 -3.56 0.05 -1.26 -4.95 118.68 118.11 1bsh s LEU 41 Ca 0.55 1.15 0.07 0.00 0.05 0.00 0.00 54.13 55.94 1bsh s LEU 41 Cb 0.03 -3.03 0.25 0.00 -2.05 0.00 0.00 46.19 41.38 1bsh s LEU 41 CO 0.05 0.20 0.66 0.18 -0.55 0.00 0.00 176.35 176.89 1bsh n LEU 42 N 1.31 2.32 0.00 1.48 4.77 -1.26 -2.92 117.00 122.69 1bsh n LEU 42 Ca -0.08 -5.14 0.00 0.00 -0.03 0.00 0.00 56.01 50.75 1bsh n LEU 42 Cb 0.51 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1bsh n LEU 42 CO 0.41 2.07 0.00 0.35 -1.33 0.00 0.00 177.39 178.89 1bsh n THR 43 N 1.07 0.00 -3.10 -5.08 -2.24 -1.19 -5.02 114.28 98.71 1bsh n THR 43 Ca 0.26 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.86 1bsh n THR 43 Cb 0.46 -0.48 0.02 0.00 -2.10 0.00 0.00 70.33 68.22 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 4.53 -0.22 6.98 0.00 -1.26 -2.53 121.76 127.26 1bsh s ALA 44 Ca 0.00 -1.82 -0.10 0.00 0.00 0.00 0.00 51.96 50.04 1bsh s ALA 44 Cb 0.00 -1.49 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1bsh s ALA 44 CO 0.00 -0.45 0.15 -1.50 0.00 0.00 0.00 175.76 173.96 1bsh s ILE 45 N -2.47 5.38 0.51 0.00 2.07 -0.99 -4.03 121.20 121.67 1bsh s ILE 45 Ca 0.56 0.19 -0.13 0.00 -1.41 0.00 0.00 60.65 59.85 1bsh s ILE 45 Cb -0.08 -3.49 -0.06 0.00 0.13 0.00 0.00 42.46 38.96 1bsh s ILE 45 CO 0.34 0.38 0.94 -0.54 -1.91 0.00 0.00 174.94 174.15 1bsh s LYS 46 N 0.78 3.81 0.96 3.50 3.01 -1.26 -4.08 119.74 126.46 1bsh s LYS 46 Ca 0.08 0.76 -0.15 0.00 -1.01 0.00 0.00 55.97 55.65 1bsh s LYS 46 Cb -0.13 -2.19 0.18 0.00 -1.01 0.00 0.00 37.83 34.69 1bsh s LYS 46 CO 0.02 -0.29 1.25 -1.25 0.51 0.00 0.00 175.35 175.59 1bsh s PRO 47 N -4.32 0.69 0.00 -1.68 0.04 -1.26 -4.68 135.00 123.78 1bsh s PRO 47 Ca 0.56 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1bsh s PRO 47 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1bsh s PRO 47 CO 0.37 -2.42 0.00 0.41 0.04 0.00 0.00 177.00 175.41 1bsh n GLY 48 N -3.16 0.35 2.53 0.56 0.00 -0.62 -3.77 105.19 101.08 1bsh n GLY 48 Ca 0.13 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.38 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 0.71 -3.70 1.61 0.00 -1.14 -2.87 117.12 111.74 1bsh n MET 49 Ca 0.00 -2.60 -0.11 0.00 0.00 0.00 0.00 57.70 55.00 1bsh n MET 49 Cb 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 33.22 34.45 1bsh n MET 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bsh s ILE 50 N -2.66 -0.02 -0.21 3.17 2.07 -0.68 -1.50 121.20 121.37 1bsh s ILE 50 Ca 0.14 0.08 -0.12 0.00 -1.41 0.00 0.00 60.65 59.34 1bsh s ILE 50 Cb 0.01 -0.63 -0.05 0.00 0.13 0.00 0.00 42.46 41.92 1bsh s ILE 50 CO 0.10 0.03 0.21 -0.60 -1.91 0.00 0.00 174.94 172.77 1bsh s ARG 51 N 1.26 4.15 0.02 3.50 3.52 -0.42 -1.77 118.95 129.22 1bsh s ARG 51 Ca -0.08 -0.12 0.03 0.00 -0.13 0.00 0.00 55.73 55.43 1bsh s ARG 51 Cb -0.08 -3.49 -0.02 0.00 -1.56 0.00 0.00 34.95 29.81 1bsh s ARG 51 CO -0.11 0.14 -0.09 -1.50 -0.81 0.00 0.00 175.30 172.93 1bsh s ILE 52 N 0.81 0.66 -0.19 4.11 2.07 -0.90 -0.47 121.20 127.29 1bsh s ILE 52 Ca 0.11 -0.76 -0.00 0.00 -1.41 0.00 0.00 60.65 58.59 1bsh s ILE 52 Cb -0.13 -0.63 0.05 0.00 0.13 0.00 0.00 42.46 41.88 1bsh s ILE 52 CO 0.03 -0.10 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.22 1bsh s VAL 53 N -0.79 1.27 0.76 4.00 1.01 -0.42 -1.05 120.40 125.17 1bsh s VAL 53 Ca -0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.99 1bsh s VAL 53 Cb -0.07 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1bsh s VAL 53 CO 0.00 0.06 1.13 -0.54 0.00 0.00 0.00 175.10 175.76 1bsh s LYS 54 N 1.55 2.16 0.03 2.72 1.02 -1.15 -2.63 119.74 123.43 1bsh s LYS 54 Ca -0.01 1.44 -0.19 0.00 0.02 0.00 0.00 55.97 57.23 1bsh s LYS 54 Cb -0.16 -1.87 -0.10 0.00 -0.52 0.00 0.00 37.83 35.18 1bsh s LYS 54 CO -0.07 -1.76 1.27 0.37 -0.92 0.00 0.00 175.35 174.23 1bsh h GLN 55 N -0.73 -0.65 -4.36 1.68 4.15 -1.84 -3.41 115.11 109.95 1bsh h GLN 55 Ca -0.45 0.04 -0.63 0.00 0.77 0.00 0.00 58.65 58.38 1bsh h GLN 55 Cb 1.26 0.15 -0.39 0.00 0.21 0.00 0.00 27.48 28.70 1bsh h GLN 55 CO 0.50 -0.43 -0.75 -1.58 -1.93 0.00 0.00 178.83 174.64 1bsh s HIS 56 N -4.44 2.95 0.00 3.99 2.46 -1.26 -4.95 115.29 114.03 1bsh s HIS 56 Ca -0.10 -2.38 0.00 0.00 0.47 0.00 0.00 55.06 53.05 1bsh s HIS 56 Cb 0.01 -2.27 0.00 0.00 -0.13 0.00 0.00 32.58 30.19 1bsh s HIS 56 CO 0.29 -0.89 0.00 0.41 -2.47 0.00 0.00 174.74 172.08 1bsh n GLY 57 N 4.50 -1.06 3.23 1.59 0.00 -1.26 -5.08 105.19 107.10 1bsh n GLY 57 Ca -0.02 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 1bsh n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bsh s HIS 58 N 0.00 0.07 -0.15 1.61 3.76 -1.26 -5.01 115.29 114.31 1bsh s HIS 58 Ca 0.00 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.37 1bsh s HIS 58 Cb 0.00 0.01 -0.04 0.00 1.11 0.00 0.00 32.58 33.66 1bsh s HIS 58 CO 0.00 -0.58 0.11 -1.83 -0.85 0.00 0.00 174.74 171.59 1bsh s GLU 59 N -3.84 3.65 0.06 1.40 -1.05 -1.26 -2.92 118.70 114.74 1bsh s GLU 59 Ca 0.04 -0.21 0.03 0.00 -0.15 0.00 0.00 54.97 54.68 1bsh s GLU 59 Cb 0.04 -3.21 -0.03 0.00 -0.44 0.00 0.00 34.13 30.50 1bsh s GLU 59 CO -0.11 0.58 -0.10 -1.21 0.95 0.00 0.00 175.26 175.37 1bsh s GLU 60 N -0.47 0.66 -0.15 -4.83 2.02 -0.21 -4.94 118.70 110.78 1bsh s GLU 60 Ca 0.11 -0.87 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 1bsh s GLU 60 Cb -0.12 -0.48 -0.03 0.00 0.10 0.00 0.00 34.13 33.60 1bsh s GLU 60 CO 0.02 0.09 -0.04 -0.59 0.02 0.00 0.00 175.26 174.76 1bsh s PHE 61 N -1.48 3.02 0.35 1.61 -0.12 -1.26 -2.12 117.98 117.99 1bsh s PHE 61 Ca -0.06 -0.27 0.05 0.00 -0.05 0.00 0.00 56.93 56.61 1bsh s PHE 61 Cb -0.09 -1.93 0.05 0.00 -0.63 0.00 0.00 43.02 40.42 1bsh s PHE 61 CO 0.01 0.01 0.45 -0.89 -0.05 0.00 0.00 175.22 174.74 1bsh n ILE 62 N 3.39 0.00 -3.71 -4.49 5.41 -0.73 -4.13 119.36 115.09 1bsh n ILE 62 Ca -0.17 -1.23 -0.12 0.00 1.00 0.00 0.00 62.75 62.23 1bsh n ILE 62 Cb 0.53 -0.60 -0.10 0.00 -0.71 0.00 0.00 39.64 38.75 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 -1.31 -0.54 0.35 1.39 6.14 -1.26 -1.69 117.35 120.43 1bsh s TYR 63 Ca 0.34 1.25 -0.17 0.00 0.64 0.00 0.00 57.07 59.14 1bsh s TYR 63 Cb -0.03 0.21 0.06 0.00 0.42 0.00 0.00 41.96 42.63 1bsh s TYR 63 CO 0.22 -0.28 0.86 -0.48 0.64 0.00 0.00 175.55 176.51 1bsh s LEU 64 N 0.61 0.04 -0.30 6.97 0.05 -1.14 -2.85 118.68 122.06 1bsh s LEU 64 Ca -0.03 -1.10 -0.05 0.00 0.05 0.00 0.00 54.13 53.00 1bsh s LEU 64 Cb -0.05 2.69 0.17 0.00 -2.05 0.00 0.00 46.19 46.96 1bsh s LEU 64 CO -0.04 -1.57 0.66 -0.55 -0.55 0.00 0.00 176.35 174.30 1bsh s SER 65 N -3.18 -1.23 0.00 1.48 0.15 -1.26 -1.59 113.70 108.07 1bsh s SER 65 Ca 0.18 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.86 1bsh s SER 65 Cb -0.05 2.14 0.00 0.00 -1.71 0.00 0.00 66.02 66.40 1bsh s SER 65 CO 0.11 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1bsh n GLY 66 N 5.42 0.02 0.00 9.45 0.00 -1.26 -4.07 105.19 114.75 1bsh n GLY 66 Ca -0.05 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 1.49 0.55 2.92 -0.02 0.00 -1.26 -1.96 105.19 106.92 1bsh n GLY 67 Ca 0.00 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.87 0.09 -0.03 -0.61 1.01 -0.48 -2.35 121.20 115.97 1bsh s ILE 68 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1bsh s ILE 68 Cb 0.00 -0.14 -0.01 0.00 0.01 0.00 0.00 42.46 42.32 1bsh s ILE 68 CO 0.00 -0.14 -0.21 -1.48 0.00 0.00 0.00 174.94 173.11 1bsh s LEU 69 N -0.48 2.02 0.01 2.97 0.05 -1.05 -1.73 118.68 120.47 1bsh s LEU 69 Ca -0.05 -0.39 -0.04 0.00 0.05 0.00 0.00 54.13 53.70 1bsh s LEU 69 Cb -0.03 -1.10 -0.01 0.00 -2.05 0.00 0.00 46.19 43.00 1bsh s LEU 69 CO -0.00 0.24 0.07 -1.83 -0.55 0.00 0.00 176.35 174.27 1bsh s GLU 70 N -0.35 0.41 -0.13 1.48 -1.05 -1.02 -3.16 118.70 114.88 1bsh s GLU 70 Ca 0.04 -0.48 -0.02 0.00 -0.15 0.00 0.00 54.97 54.36 1bsh s GLU 70 Cb -0.09 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1bsh s GLU 70 CO 0.00 -0.09 -0.05 0.54 0.95 0.00 0.00 175.26 176.62 1bsh s VAL 71 N -1.41 3.83 0.51 1.83 0.11 -1.15 -2.78 120.40 121.35 1bsh s VAL 71 Ca -0.15 -0.40 0.09 0.00 -2.93 0.00 0.00 61.98 58.59 1bsh s VAL 71 Cb -0.09 -2.64 0.05 0.00 -1.53 0.00 0.00 36.38 32.18 1bsh s VAL 71 CO 0.00 0.53 0.66 -1.10 -3.33 0.00 0.00 175.10 171.87 1bsh s GLN 72 N -0.05 2.47 -1.26 1.54 -0.21 -0.48 -4.66 119.66 117.02 1bsh s GLN 72 Ca 0.01 -1.55 -0.19 0.00 0.02 0.00 0.00 55.36 53.65 1bsh s GLN 72 Cb -0.13 -2.61 0.01 0.00 1.00 0.00 0.00 33.01 31.28 1bsh s GLN 72 CO 0.03 -0.62 1.88 -0.35 -2.12 0.00 0.00 175.29 174.11 1bsh n PRO 73 N -2.03 2.62 0.00 2.91 -0.04 -1.26 -3.09 135.00 134.11 1bsh n PRO 73 Ca 0.11 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.71 1bsh n PRO 73 Cb 0.61 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.60 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 5.21 1.09 0.83 0.55 0.00 -1.26 -5.07 105.19 106.55 1bsh n GLY 74 Ca 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.42 -3.56 1.61 3.02 -1.18 -2.61 115.26 112.12 1bsh n ASN 75 Ca 0.00 -1.41 -0.13 0.00 -0.03 0.00 0.00 54.58 53.01 1bsh n ASN 75 Cb 0.00 0.74 -0.05 0.00 -0.61 0.00 0.00 39.78 39.85 1bsh n ASN 75 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bsh s VAL 76 N -2.65 0.00 -0.20 2.41 1.01 0.56 -1.38 120.40 120.15 1bsh s VAL 76 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1bsh s VAL 76 Cb -0.01 -1.00 0.06 0.00 0.00 0.00 0.00 36.38 35.44 1bsh s VAL 76 CO 0.04 0.00 0.66 0.42 0.00 0.00 0.00 175.10 176.22 1bsh s THR 77 N -1.14 0.00 -0.15 3.92 -4.23 -1.12 -0.12 115.64 112.80 1bsh s THR 77 Ca -0.05 -0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.32 1bsh s THR 77 Cb -0.00 -0.93 0.04 0.00 1.34 0.00 0.00 72.50 72.95 1bsh s THR 77 CO 0.04 -0.01 0.40 0.68 -0.54 0.00 0.00 174.62 175.19 1bsh s VAL 78 N -0.00 -0.01 0.26 2.29 -7.23 -0.90 -2.43 120.40 112.39 1bsh s VAL 78 Ca -0.03 0.02 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1bsh s VAL 78 Cb -0.04 -0.56 -0.04 0.00 0.56 0.00 0.00 36.38 36.30 1bsh s VAL 78 CO 0.03 0.01 0.18 -0.76 -0.31 0.00 0.00 175.10 174.25 1bsh s LEU 79 N 0.46 3.71 0.32 1.32 1.02 -0.70 -1.79 118.68 123.01 1bsh s LEU 79 Ca -0.02 -0.33 -0.06 0.00 0.02 0.00 0.00 54.13 53.74 1bsh s LEU 79 Cb -0.04 -2.25 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1bsh s LEU 79 CO -0.02 -0.07 0.49 0.00 0.02 0.00 0.00 176.35 176.76 1bsh s ALA 80 N -2.18 0.39 -0.24 4.21 0.00 -0.95 -1.38 121.76 121.61 1bsh s ALA 80 Ca 0.34 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 1bsh s ALA 80 Cb -0.07 1.10 -0.12 0.00 0.00 0.00 0.00 23.12 24.02 1bsh s ALA 80 CO 0.25 -0.82 -0.20 -3.47 0.00 0.00 0.00 175.76 171.51 1bsh n ASP 81 N -1.09 1.92 -4.01 0.00 2.03 -0.83 -3.68 116.55 110.89 1bsh n ASP 81 Ca -0.01 0.38 -0.14 0.00 0.52 0.00 0.00 54.79 55.54 1bsh n ASP 81 Cb 0.62 -0.85 0.04 0.00 -0.72 0.00 0.00 41.12 40.21 1bsh n ASP 81 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1bsh n THR 82 N -4.35 0.00 -2.74 5.18 5.66 -1.26 -3.74 114.28 113.03 1bsh n THR 82 Ca -0.40 -1.37 -0.03 0.00 -3.05 0.00 0.00 64.05 59.20 1bsh n THR 82 Cb 0.74 -0.56 0.02 0.00 -1.55 0.00 0.00 70.33 68.98 1bsh n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 83 N -2.49 -3.38 -0.91 1.79 0.00 -1.26 -4.54 121.76 110.96 1bsh s ALA 83 Ca 0.37 0.17 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 1bsh s ALA 83 Cb -0.03 -2.86 0.27 0.00 0.00 0.00 0.00 23.12 20.50 1bsh s ALA 83 CO 0.24 -2.39 1.09 -0.89 0.00 0.00 0.00 175.76 173.81 1bsh n ILE 84 N 2.86 3.90 -1.17 0.00 -0.00 -1.13 -5.02 119.36 118.81 1bsh n ILE 84 Ca 0.14 -5.52 -0.37 0.00 -0.00 0.00 0.00 62.75 57.00 1bsh n ILE 84 Cb 0.61 -2.17 0.03 0.00 -0.00 0.00 0.00 39.64 38.11 1bsh n ILE 84 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.55 175.41 1bsh n ARG 85 N 1.43 0.07 -0.22 0.38 0.63 -1.25 -4.40 116.66 113.29 1bsh n ARG 85 Ca 0.26 0.03 -0.02 0.00 -0.92 0.00 0.00 57.85 57.21 1bsh n ARG 85 Cb 0.37 -1.21 0.05 0.00 0.45 0.00 0.00 32.46 32.11 1bsh n ARG 85 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1bsh h GLY 86 N -0.42 0.24 -4.78 5.14 0.00 -1.80 -0.65 103.07 100.79 1bsh h GLY 86 Ca -0.43 0.32 -0.71 0.00 0.00 0.00 0.00 47.33 46.51 1bsh h GLY 86 CO 0.36 -0.24 0.46 0.61 0.00 0.00 0.00 176.54 177.73 1bsh n GLN 87 N -5.45 2.98 -0.06 4.80 10.64 -1.26 -4.55 117.38 124.48 1bsh n GLN 87 Ca 0.07 -3.84 -0.05 0.00 -1.83 0.00 0.00 57.00 51.36 1bsh n GLN 87 Cb 0.36 -2.26 -0.15 0.00 -0.86 0.00 0.00 30.24 27.32 1bsh n GLN 87 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1bsh n ASP 88 N -0.54 0.24 -3.19 2.61 -0.08 -0.25 -4.99 116.55 110.35 1bsh n ASP 88 Ca 0.49 0.11 -0.16 0.00 -1.51 0.00 0.00 54.79 53.72 1bsh n ASP 88 Cb 0.40 0.91 -0.04 0.00 2.34 0.00 0.00 41.12 44.73 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1bsh n LEU 89 N -2.73 0.00 -4.10 -2.67 4.77 -1.26 -4.96 117.00 106.06 1bsh n LEU 89 Ca -0.23 -1.66 -0.23 0.00 -0.03 0.00 0.00 56.01 53.86 1bsh n LEU 89 Cb 1.00 0.30 0.21 0.00 -2.33 0.00 0.00 43.42 42.60 1bsh n LEU 89 CO 0.44 -0.24 0.22 -0.67 -1.33 0.00 0.00 177.39 175.80 1bsh n ASP 90 N -1.36 -3.52 -0.08 -1.43 2.03 -1.26 -4.96 116.55 105.97 1bsh n ASP 90 Ca -0.09 -0.61 -0.10 0.00 0.52 0.00 0.00 54.79 54.52 1bsh n ASP 90 Cb 0.33 -0.87 -0.10 0.00 -0.72 0.00 0.00 41.12 39.76 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1bsh n GLU 91 N -3.60 1.08 0.09 -0.67 1.02 -1.26 -4.44 120.64 112.86 1bsh n GLU 91 Ca 0.09 0.05 0.02 0.00 -0.02 0.00 0.00 57.16 57.30 1bsh n GLU 91 Cb 0.45 -1.37 -0.03 0.00 -0.02 0.00 0.00 31.44 30.47 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh h ALA 92 N 0.37 0.65 0.00 0.62 0.00 -2.02 -3.22 119.26 115.66 1bsh h ALA 92 Ca -0.40 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 53.89 1bsh h ALA 92 Cb 1.77 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1bsh h ALA 92 CO -0.02 0.74 0.00 -2.13 0.00 0.00 0.00 179.25 177.84 1bsh n ARG 93 N -3.05 0.16 0.04 0.00 0.00 -1.26 -2.28 116.66 110.26 1bsh n ARG 93 Ca -0.03 0.14 0.02 0.00 -0.00 0.00 0.00 57.85 57.98 1bsh n ARG 93 Cb 0.78 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.67 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bsh n ALA 94 N -1.37 2.05 0.07 5.13 0.00 -1.22 -3.99 120.51 121.19 1bsh n ALA 94 Ca 0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.91 1bsh n ALA 94 Cb 0.17 -0.97 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 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 0.08 0.00 0.00 2.86 -1.60 -3.12 114.93 113.16 1bsh h MET 95 Ca -0.14 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1bsh h MET 95 Cb 1.47 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.19 1bsh h MET 95 CO 0.04 1.05 0.00 0.39 1.06 0.00 0.00 176.91 179.45 1bsh n GLU 96 N -3.40 0.22 0.18 1.72 -0.58 -1.18 -2.18 120.64 115.43 1bsh n GLU 96 Ca -0.03 0.14 0.07 0.00 -0.42 0.00 0.00 57.16 56.91 1bsh n GLU 96 Cb 0.97 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 30.44 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bsh h ALA 97 N 2.72 0.82 0.19 0.62 0.00 -1.69 -3.17 119.26 118.75 1bsh h ALA 97 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 1bsh h ALA 97 Cb 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1bsh h ALA 97 CO 0.00 0.36 -1.40 -0.22 0.00 0.00 0.00 179.25 177.99 1bsh h LYS 98 N 0.00 0.41 0.00 0.00 3.11 -1.63 -2.81 116.57 115.65 1bsh h LYS 98 Ca -0.00 -0.70 -0.01 0.00 -2.81 0.00 0.00 60.65 57.13 1bsh h LYS 98 Cb 1.21 0.26 -0.00 0.00 -1.00 0.00 0.00 32.23 32.69 1bsh h LYS 98 CO 0.04 1.33 -0.05 0.00 -2.81 0.00 0.00 179.45 177.97 1bsh h ARG 99 N -0.05 0.00 0.00 1.90 3.08 -1.65 -0.61 114.38 117.05 1bsh h ARG 99 Ca -0.26 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 1bsh h ARG 99 Cb 1.98 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.02 1bsh h ARG 99 CO 0.19 0.05 -0.83 1.57 -1.07 0.00 0.00 179.97 179.88 1bsh h LYS 100 N 0.00 0.00 0.00 0.04 2.10 -1.60 -3.30 116.57 113.80 1bsh h LYS 100 Ca -0.00 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.51 1bsh h LYS 100 Cb 0.10 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1bsh h LYS 100 CO 0.01 0.12 -0.80 0.00 -2.00 0.00 0.00 179.45 176.77 1bsh h ALA 101 N 1.82 0.61 -0.05 0.07 0.00 -0.89 -3.24 119.26 117.58 1bsh h ALA 101 Ca -0.03 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 1bsh h ALA 101 Cb 1.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1bsh h ALA 101 CO 0.02 0.83 -0.01 1.49 0.00 0.00 0.00 179.25 181.58 1bsh h GLU 102 N 0.00 0.07 -0.44 0.00 4.81 -1.32 -0.96 114.58 116.74 1bsh h GLU 102 Ca -0.04 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 1bsh h GLU 102 Cb 1.52 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.86 1bsh h GLU 102 CO 0.08 0.10 0.31 0.93 -0.73 0.00 0.00 179.01 179.69 1bsh h GLU 103 N 0.07 0.09 0.03 1.92 5.08 -1.72 1.74 114.58 121.80 1bsh h GLU 103 Ca 0.02 -0.01 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 1bsh h GLU 103 Cb 0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1bsh h GLU 103 CO 0.00 0.06 -1.39 1.25 -1.00 0.00 0.00 179.01 177.94 1bsh h HIS 104 N 0.10 0.12 -0.23 4.33 2.76 -1.40 -3.34 115.15 117.49 1bsh h HIS 104 Ca 0.21 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1bsh h HIS 104 Cb 0.70 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.66 1bsh h HIS 104 CO -0.00 1.54 0.00 -0.89 -1.30 0.00 0.00 177.93 177.28 1bsh n ILE 105 N -4.22 0.63 -1.52 6.26 5.41 -0.88 -4.86 119.36 120.18 1bsh n ILE 105 Ca -0.31 -0.41 -0.25 0.00 1.00 0.00 0.00 62.75 62.78 1bsh n ILE 105 Cb 0.76 -0.11 -0.14 0.00 -0.71 0.00 0.00 39.64 39.44 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1bsh n SER 106 N 0.23 0.39 -0.22 4.38 3.41 0.59 -4.43 113.62 117.96 1bsh n SER 106 Ca 0.09 -0.67 0.03 0.00 -0.26 0.00 0.00 58.87 58.06 1bsh n SER 106 Cb 0.39 -1.09 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1bsh n SER 106 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bsh n SER 107 N 11.86 -1.29 -3.64 4.04 2.88 -1.26 -5.05 113.62 121.16 1bsh n SER 107 Ca 0.57 0.17 -0.06 0.00 -1.33 0.00 0.00 58.87 58.22 1bsh n SER 107 Cb 0.26 -0.72 -0.07 0.00 -0.75 0.00 0.00 64.21 62.93 1bsh n SER 107 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1bsh s SER 108 N -5.15 -0.56 0.00 -3.46 0.15 -1.26 -4.90 113.70 98.51 1bsh s SER 108 Ca 0.00 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1bsh s SER 108 Cb 0.00 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1bsh s SER 108 CO 0.00 -0.16 0.00 1.41 1.20 0.00 0.00 173.24 175.69 1bsh n HIS 109 N 3.15 0.00 -3.81 3.44 8.25 -1.26 -4.79 115.22 120.20 1bsh n HIS 109 Ca -0.16 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.27 1bsh n HIS 109 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1bsh n HIS 109 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bsh s GLY 110 N -0.09 -0.06 -0.06 -1.41 0.00 -1.26 -4.81 107.32 99.63 1bsh s GLY 110 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.59 1bsh s GLY 110 CO 0.00 1.14 0.10 1.22 0.00 0.00 0.00 173.10 175.56 1bsh n ASP 111 N -0.85 -4.73 -1.97 1.64 8.00 -1.26 -3.68 116.55 113.70 1bsh n ASP 111 Ca -0.05 1.35 -0.01 0.00 0.71 0.00 0.00 54.79 56.79 1bsh n ASP 111 Cb 0.60 -4.52 -0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1bsh n VAL 112 N 1.47 -0.03 0.00 2.53 0.24 -1.26 -4.77 118.33 116.50 1bsh n VAL 112 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1bsh n VAL 112 Cb 0.26 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.49 1bsh n VAL 112 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1bsh n ASP 113 N -0.66 0.00 0.25 -1.34 8.00 -1.24 -3.90 116.55 117.65 1bsh n ASP 113 Ca -0.01 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.63 1bsh n ASP 113 Cb 0.34 0.00 0.47 0.00 -0.02 0.00 0.00 41.12 41.91 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1bsh h TYR 114 N 0.00 0.00 0.28 1.24 3.20 -1.86 -2.88 116.97 116.95 1bsh h TYR 114 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1bsh h TYR 114 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1bsh h TYR 114 CO 0.00 0.03 -0.13 0.00 -1.64 0.00 0.00 178.16 176.42 1bsh h ALA 115 N 1.97 -0.37 -0.71 1.82 0.00 -1.92 -0.15 119.26 119.90 1bsh h ALA 115 Ca -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1bsh h ALA 115 Cb 0.72 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1bsh h ALA 115 CO 0.00 -0.64 0.17 1.96 0.00 0.00 0.00 179.25 180.75 1bsh h GLN 116 N -0.51 1.13 0.00 0.00 4.20 -1.66 -1.48 115.11 116.79 1bsh h GLN 116 Ca -0.04 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1bsh h GLN 116 Cb 0.38 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1bsh h GLN 116 CO 0.06 0.99 0.00 0.00 -0.67 0.00 0.00 178.83 179.21 1bsh h ALA 117 N 1.11 1.00 0.00 3.87 0.00 -1.33 -1.92 119.26 121.98 1bsh h ALA 117 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1bsh h ALA 117 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bsh h ALA 117 CO 0.00 0.00 -0.23 1.03 0.00 0.00 0.00 179.25 180.06 1bsh h SER 118 N 0.00 0.00 0.11 0.00 0.87 0.09 -1.22 113.55 113.40 1bsh h SER 118 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1bsh h SER 118 Cb 0.29 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.23 1bsh h SER 118 CO 0.00 0.23 -1.93 0.00 -0.53 0.00 0.00 176.83 174.60 1bsh n ALA 119 N -2.19 0.88 0.09 6.23 0.00 -0.74 -2.26 120.51 122.52 1bsh n ALA 119 Ca 0.01 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.79 1bsh n ALA 119 Cb 0.50 -0.66 0.01 0.00 0.00 0.00 0.00 19.45 19.30 1bsh n ALA 119 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1bsh h GLU 120 N -0.05 0.15 0.00 0.00 4.11 -1.58 -2.77 114.58 114.44 1bsh h GLU 120 Ca -0.42 -0.16 -0.14 0.00 0.07 0.00 0.00 59.36 58.71 1bsh h GLU 120 Cb 1.95 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1bsh h GLU 120 CO 0.05 0.91 -0.82 1.25 0.07 0.00 0.00 179.01 180.46 1bsh h LEU 121 N 0.09 0.00 -1.03 3.06 5.85 -1.39 -3.33 115.31 118.56 1bsh h LEU 121 Ca -0.03 -0.52 0.16 0.00 0.84 0.00 0.00 57.88 58.33 1bsh h LEU 121 Cb 1.46 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 1bsh h LEU 121 CO 0.12 1.24 0.62 0.00 -0.34 0.00 0.00 178.44 180.08 1bsh h ALA 122 N -0.48 1.63 -0.70 1.25 0.00 -1.58 0.12 119.26 119.50 1bsh h ALA 122 Ca -0.21 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1bsh h ALA 122 Cb 1.07 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1bsh h ALA 122 CO -0.13 0.06 0.46 1.57 0.00 0.00 0.00 179.25 181.21 1bsh h LYS 123 N 0.85 0.73 0.00 0.00 5.09 -1.64 0.34 116.57 121.94 1bsh h LYS 123 Ca 0.54 -0.04 -0.04 0.00 0.09 0.00 0.00 60.65 61.19 1bsh h LYS 123 Cb 0.73 -0.16 -0.01 0.00 0.10 0.00 0.00 32.23 32.89 1bsh h LYS 123 CO -0.32 0.48 -0.20 0.00 -2.09 0.00 0.00 179.45 177.31 1bsh h ALA 124 N 1.61 0.92 0.00 0.07 0.00 -0.88 -2.81 119.26 118.17 1bsh h ALA 124 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1bsh h ALA 124 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1bsh h ALA 124 CO -0.09 0.25 0.00 -0.89 0.00 0.00 0.00 179.25 178.52 1bsh n ILE 125 N -3.22 0.01 0.08 0.00 2.08 0.09 -3.42 119.36 114.97 1bsh n ILE 125 Ca 0.02 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.34 1bsh n ILE 125 Cb 0.52 -0.51 0.34 0.00 -0.75 0.00 0.00 39.64 39.25 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh h ALA 126 N 3.62 1.42 0.00 -1.39 0.00 -1.25 -1.35 119.26 120.32 1bsh h ALA 126 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1bsh h ALA 126 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bsh h ALA 126 CO 0.00 0.40 0.00 -0.56 0.00 0.00 0.00 179.25 179.09 1bsh h GLN 127 N 0.29 0.00 0.00 0.00 3.07 -1.78 -2.05 115.11 114.64 1bsh h GLN 127 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.80 1bsh h GLN 127 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1bsh h GLN 127 CO 0.02 0.00 -0.35 1.25 0.09 0.00 0.00 178.83 179.85 1bsh h LEU 128 N 0.00 0.00 0.00 0.06 5.85 -1.47 -2.45 115.31 117.31 1bsh h LEU 128 Ca 0.00 -0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.41 1bsh h LEU 128 Cb 0.44 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1bsh h LEU 128 CO 0.00 0.02 -1.65 0.54 -0.34 0.00 0.00 178.44 177.01 1bsh n ARG 129 N -2.57 0.63 0.03 1.25 1.74 -0.80 -3.67 116.66 113.27 1bsh n ARG 129 Ca 0.03 0.28 -0.02 0.00 -0.77 0.00 0.00 57.85 57.37 1bsh n ARG 129 Cb 0.49 -1.79 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 1bsh n ARG 129 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1bsh h VAL 130 N 0.00 0.64 -0.18 1.55 -1.51 -1.57 -3.36 116.25 111.82 1bsh h VAL 130 Ca -0.26 -2.22 -0.04 0.00 -1.23 0.00 0.00 66.70 62.96 1bsh h VAL 130 Cb 1.92 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 33.24 1bsh h VAL 130 CO 0.07 0.36 -0.03 -0.29 -1.23 0.00 0.00 177.57 176.46 1bsh h ILE 131 N 0.00 1.28 -0.46 7.19 2.10 -1.59 -2.28 117.51 123.74 1bsh h ILE 131 Ca -0.18 -0.95 0.13 0.00 1.08 0.00 0.00 64.86 64.94 1bsh h ILE 131 Cb 1.68 1.55 -0.02 0.00 -1.09 0.00 0.00 36.82 38.94 1bsh h ILE 131 CO 0.06 0.29 0.47 -0.33 -1.08 0.00 0.00 178.15 177.55 1bsh h GLU 132 N 0.06 0.00 0.04 2.19 4.39 -1.71 0.61 114.58 120.16 1bsh h GLU 132 Ca 0.05 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 1bsh h GLU 132 Cb 0.45 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1bsh h GLU 132 CO 0.01 0.00 -0.60 -0.07 -1.16 0.00 0.00 179.01 177.20 1bsh h LEU 133 N 0.00 0.45 -1.38 1.33 4.07 -1.57 -3.10 115.31 115.11 1bsh h LEU 133 Ca 0.22 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.35 1bsh h LEU 133 Cb 1.16 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1bsh h LEU 133 CO -0.00 1.23 0.00 0.35 -1.08 0.00 0.00 178.44 178.94 1bsh n THR 134 N -4.24 1.00 -0.32 0.22 -2.24 0.16 -2.55 114.28 106.31 1bsh n THR 134 Ca -0.11 0.69 0.19 0.00 -2.27 0.00 0.00 64.05 62.55 1bsh n THR 134 Cb 0.69 -1.68 0.40 0.00 -2.10 0.00 0.00 70.33 67.63 1bsh n THR 134 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1bsh h LYS 135 N 0.00 0.30 0.03 -0.78 2.10 -1.34 -1.33 116.57 115.56 1bsh h LYS 135 Ca 0.00 -0.02 -0.39 0.00 -2.00 0.00 0.00 60.65 58.25 1bsh h LYS 135 Cb 0.04 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.25 1bsh h LYS 135 CO 0.00 0.20 -2.31 1.17 -2.00 0.00 0.00 179.45 176.51 1bsh n LYS 136 N -5.10 0.67 -0.18 0.07 4.81 -1.06 -4.50 118.16 112.88 1bsh n LYS 136 Ca 0.27 0.21 -0.11 0.00 -0.87 0.00 0.00 58.31 57.82 1bsh n LYS 136 Cb 0.85 -1.57 -0.08 0.00 0.02 0.00 0.00 35.03 34.24 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bsh h ALA 137 N -0.13 -0.62 0.00 3.14 0.00 -1.41 -3.54 119.26 116.70 1bsh h ALA 137 Ca -0.55 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1bsh h ALA 137 Cb 1.87 1.12 0.00 0.00 0.00 0.00 0.00 17.79 20.78 1bsh h ALA 137 CO -0.09 -0.87 0.00 -0.12 0.00 0.00 0.00 179.25 178.17