#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 0.92 -0.19 0.00 1.00 -1.26 -5.09 119.30 114.68 1bsh s MET 2 Ca 0.00 -1.50 -0.32 0.00 0.00 0.00 0.00 55.69 53.87 1bsh s MET 2 Cb 0.00 -2.02 0.14 0.00 0.00 0.00 0.00 34.83 32.95 1bsh s MET 2 CO 0.00 -1.09 1.17 -0.08 0.00 0.00 0.00 175.02 175.01 1bsh s THR 3 N 1.01 0.00 0.00 2.05 -1.32 -1.26 -4.76 115.64 111.35 1bsh s THR 3 Ca 0.14 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.62 1bsh s THR 3 Cb -0.21 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.78 1bsh s THR 3 CO -0.10 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.31 1bsh n TYR 4 N 0.17 0.00 -4.16 9.09 4.11 -1.06 -4.86 117.16 120.44 1bsh n TYR 4 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.68 1bsh n TYR 4 Cb 0.59 0.00 -0.16 0.00 -0.00 0.00 0.00 39.34 39.77 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 1.42 0.69 -0.18 -3.48 2.46 -1.25 -2.36 115.29 112.58 1bsh s HIS 5 Ca 0.00 -0.17 -0.10 0.00 0.47 0.00 0.00 55.06 55.25 1bsh s HIS 5 Cb 0.00 -0.60 -0.05 0.00 -0.13 0.00 0.00 32.58 31.80 1bsh s HIS 5 CO 0.00 -0.16 0.17 -1.17 -2.47 0.00 0.00 174.74 171.11 1bsh s LEU 6 N 0.76 4.25 -0.41 8.88 1.98 -0.82 -0.17 118.68 133.14 1bsh s LEU 6 Ca -0.10 0.34 0.06 0.00 -2.89 0.00 0.00 54.13 51.54 1bsh s LEU 6 Cb -0.13 -2.15 0.21 0.00 0.66 0.00 0.00 46.19 44.77 1bsh s LEU 6 CO 0.00 0.20 0.47 0.47 -1.89 0.00 0.00 176.35 175.60 1bsh n ASP 7 N 3.25 -0.57 -4.44 3.68 8.00 -0.08 -2.24 116.55 124.15 1bsh n ASP 7 Ca -0.16 -2.58 -0.38 0.00 0.71 0.00 0.00 54.79 52.38 1bsh n ASP 7 Cb 0.52 -0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 41.20 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bsh s VAL 8 N -0.34 4.48 0.33 2.53 0.11 -0.86 -1.50 120.40 125.15 1bsh s VAL 8 Ca 0.34 -0.34 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1bsh s VAL 8 Cb 0.10 -3.22 -0.06 0.00 -1.53 0.00 0.00 36.38 31.67 1bsh s VAL 8 CO -0.16 0.16 -0.04 0.68 -3.33 0.00 0.00 175.10 172.42 1bsh s VAL 9 N 1.61 2.55 0.00 2.04 -7.23 -0.63 -1.54 120.40 117.20 1bsh s VAL 9 Ca 0.05 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1bsh s VAL 9 Cb -0.16 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1bsh s VAL 9 CO 0.05 -0.23 0.00 -1.20 -0.31 0.00 0.00 175.10 173.42 1bsh n SER 10 N -0.88 1.08 0.00 4.85 7.64 -1.12 -2.18 113.62 123.01 1bsh n SER 10 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1bsh n SER 10 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.07 -2.82 -0.43 0.00 -1.25 -4.11 120.51 108.82 1bsh n ALA 11 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1bsh n ALA 11 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.95 1.43 -3.15 0.00 1.02 -1.26 -5.03 120.64 111.69 1bsh n GLU 12 Ca 0.00 -3.50 0.04 0.00 -0.02 0.00 0.00 57.16 53.68 1bsh n GLU 12 Cb 0.00 -1.54 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.96 0.52 0.71 3.49 0.74 -1.26 -5.15 119.66 115.74 1bsh s GLN 13 Ca 0.34 0.92 -0.15 0.00 0.05 0.00 0.00 55.36 56.52 1bsh s GLN 13 Cb 0.41 0.51 0.03 0.00 1.10 0.00 0.00 33.01 35.06 1bsh s GLN 13 CO -0.03 -0.57 1.17 -0.65 -0.55 0.00 0.00 175.29 174.66 1bsh s GLN 14 N 2.87 2.36 0.07 1.67 -0.21 -1.26 -2.81 119.66 122.35 1bsh s GLN 14 Ca 0.18 1.61 -0.01 0.00 0.02 0.00 0.00 55.36 57.16 1bsh s GLN 14 Cb -0.14 -1.88 -0.00 0.00 1.00 0.00 0.00 33.01 31.99 1bsh s GLN 14 CO -0.20 -1.64 -0.02 -1.33 -2.12 0.00 0.00 175.29 169.99 1bsh n MET 15 N -2.65 0.03 -3.54 2.91 2.81 -0.59 -4.91 117.12 111.18 1bsh n MET 15 Ca 0.12 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.82 1bsh n MET 15 Cb 0.51 -0.55 -0.14 0.00 -0.71 0.00 0.00 33.22 32.32 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 -2.05 -0.14 -0.52 2.03 5.36 -1.18 -4.98 117.98 116.51 1bsh s PHE 16 Ca -0.02 0.12 0.05 0.00 -0.96 0.00 0.00 56.93 56.12 1bsh s PHE 16 Cb 0.00 -0.44 0.19 0.00 -0.34 0.00 0.00 43.02 42.43 1bsh s PHE 16 CO 0.03 -0.54 0.45 -1.13 -1.46 0.00 0.00 175.22 172.56 1bsh n SER 17 N 5.31 1.07 -3.62 6.13 3.41 -1.18 -2.03 113.62 122.71 1bsh n SER 17 Ca -0.06 -2.77 -0.01 0.00 -0.26 0.00 0.00 58.87 55.78 1bsh n SER 17 Cb 0.49 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.79 -0.37 1.06 5.00 0.00 -0.95 -4.97 107.32 106.29 1bsh s GLY 18 Ca 0.31 0.91 -0.18 0.00 0.00 0.00 0.00 44.72 45.76 1bsh s GLY 18 CO -0.16 0.23 -0.04 1.04 0.00 0.00 0.00 173.10 174.16 1bsh n LEU 19 N -0.38 -1.97 -3.75 0.66 4.77 -1.26 -1.95 117.00 113.13 1bsh n LEU 19 Ca -0.06 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 55.91 1bsh n LEU 19 Cb 0.61 -0.98 -0.01 0.00 -2.33 0.00 0.00 43.42 40.71 1bsh n LEU 19 CO 0.11 -3.32 0.74 0.54 -1.33 0.00 0.00 177.39 174.13 1bsh s VAL 20 N -2.25 0.00 0.22 4.08 0.11 -1.00 -4.50 120.40 117.07 1bsh s VAL 20 Ca 0.54 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1bsh s VAL 20 Cb -0.13 -1.98 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1bsh s VAL 20 CO 0.67 0.00 0.00 1.21 -3.33 0.00 0.00 175.10 173.65 1bsh n GLU 21 N -0.47 0.00 -2.98 1.54 2.13 -1.03 -2.57 120.64 117.26 1bsh n GLU 21 Ca -0.06 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.32 1bsh n GLU 21 Cb 0.61 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.27 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 -1.64 3.17 0.22 5.31 1.02 -1.14 -4.59 119.74 122.09 1bsh s LYS 22 Ca 0.00 -0.75 0.10 0.00 0.02 0.00 0.00 55.97 55.34 1bsh s LYS 22 Cb 0.00 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 1bsh s LYS 22 CO 0.00 -1.49 -0.10 0.42 -0.92 0.00 0.00 175.35 173.25 1bsh s ILE 23 N 3.39 3.06 -0.17 2.17 1.09 -1.14 0.21 121.20 129.81 1bsh s ILE 23 Ca 0.21 -1.86 -0.10 0.00 -1.10 0.00 0.00 60.65 57.79 1bsh s ILE 23 Cb -0.17 -2.55 0.06 0.00 -1.06 0.00 0.00 42.46 38.73 1bsh s ILE 23 CO 0.13 -0.21 0.42 -1.58 -0.10 0.00 0.00 174.94 173.59 1bsh s GLN 24 N -3.10 0.41 -0.10 2.79 -0.44 0.78 -3.33 119.66 116.67 1bsh s GLN 24 Ca 0.27 0.77 -0.04 0.00 -2.50 0.00 0.00 55.36 53.85 1bsh s GLN 24 Cb -0.08 0.02 0.05 0.00 -1.64 0.00 0.00 33.01 31.36 1bsh s GLN 24 CO 0.16 -0.14 0.22 0.08 0.50 0.00 0.00 175.29 176.10 1bsh s VAL 25 N 1.25 -0.13 -0.13 1.34 1.01 -1.19 0.09 120.40 122.63 1bsh s VAL 25 Ca -0.08 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1bsh s VAL 25 Cb -0.08 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 36.01 1bsh s VAL 25 CO -0.11 0.08 0.31 -0.89 0.00 0.00 0.00 175.10 174.49 1bsh s THR 26 N 1.56 -0.14 0.00 3.92 2.01 -1.02 -3.11 115.64 118.87 1bsh s THR 26 Ca -0.06 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.10 1bsh s THR 26 Cb -0.11 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.93 1bsh s THR 26 CO -0.08 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1bsh n GLY 27 N 4.50 0.78 0.02 4.40 0.00 -0.39 -2.58 105.19 111.92 1bsh n GLY 27 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.34 0.00 1.61 2.88 -1.26 -4.83 113.62 112.35 1bsh n SER 28 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bsh n SER 28 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1bsh n SER 28 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1bsh n GLU 29 N -1.59 0.00 -0.20 -1.46 1.02 -1.26 -4.93 120.64 112.22 1bsh n GLU 29 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 1bsh n GLU 29 Cb 0.04 -0.10 0.07 0.00 -0.02 0.00 0.00 31.44 31.42 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bsh n GLY 30 N 2.37 -2.91 2.44 0.62 0.00 -1.26 -5.02 105.19 101.43 1bsh n GLY 30 Ca 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 1bsh n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bsh n GLU 31 N -2.54 1.04 -4.21 1.61 1.02 -1.26 -4.26 120.64 112.04 1bsh n GLU 31 Ca 0.04 -1.01 -0.12 0.00 -0.02 0.00 0.00 57.16 56.04 1bsh n GLU 31 Cb 0.15 0.28 -0.10 0.00 -0.02 0.00 0.00 31.44 31.75 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bsh s LEU 32 N -3.15 1.94 0.50 -4.62 1.02 -1.18 -4.95 118.68 108.24 1bsh s LEU 32 Ca 0.08 -1.20 0.09 0.00 0.02 0.00 0.00 54.13 53.12 1bsh s LEU 32 Cb 0.34 0.10 0.05 0.00 0.02 0.00 0.00 46.19 46.70 1bsh s LEU 32 CO -0.10 -0.65 0.69 -0.83 0.02 0.00 0.00 176.35 175.49 1bsh s GLY 33 N -3.13 1.83 0.27 -3.19 0.00 -1.26 -3.18 107.32 98.67 1bsh s GLY 33 Ca 0.25 -1.91 0.05 0.00 0.00 0.00 0.00 44.72 43.11 1bsh s GLY 33 CO 0.04 -1.58 0.41 -0.42 0.00 0.00 0.00 173.10 171.54 1bsh s ILE 34 N -2.52 5.02 0.24 0.90 -1.09 -1.21 -4.82 121.20 117.71 1bsh s ILE 34 Ca 0.59 -0.92 -0.22 0.00 -2.23 0.00 0.00 60.65 57.87 1bsh s ILE 34 Cb -0.08 -3.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1bsh s ILE 34 CO 0.36 -0.33 0.82 -0.72 -1.23 0.00 0.00 174.94 173.85 1bsh s TYR 35 N -2.06 -0.13 -1.08 3.97 1.13 -1.26 -2.87 117.35 115.04 1bsh s TYR 35 Ca 0.37 -0.30 -0.23 0.00 -1.41 0.00 0.00 57.07 55.50 1bsh s TYR 35 Cb -0.09 0.70 -0.07 0.00 -1.10 0.00 0.00 41.96 41.40 1bsh s TYR 35 CO 0.30 -1.12 1.93 -1.25 -2.51 0.00 0.00 175.55 172.90 1bsh s PRO 36 N -3.48 2.56 0.00 -3.49 0.04 -1.26 -2.07 135.00 127.31 1bsh s PRO 36 Ca 0.12 -0.86 0.00 0.00 0.04 0.00 0.00 61.00 60.30 1bsh s PRO 36 Cb -0.04 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.31 1bsh s PRO 36 CO 0.06 -3.70 0.00 0.41 0.04 0.00 0.00 177.00 173.81 1bsh n GLY 37 N 6.20 -0.26 3.49 0.56 0.00 -1.26 -4.87 105.19 109.05 1bsh n GLY 37 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 -0.69 -0.40 1.61 -0.00 -0.88 -4.93 115.22 109.93 1bsh n HIS 38 Ca 0.00 0.30 -0.29 0.00 -0.00 0.00 0.00 57.72 57.73 1bsh n HIS 38 Cb 0.00 -1.88 0.26 0.00 -0.00 0.00 0.00 29.99 28.37 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bsh n ALA 39 N -3.31 -3.82 -1.45 1.57 0.00 -1.26 -4.80 120.51 107.43 1bsh n ALA 39 Ca 0.09 -1.49 -0.40 0.00 0.00 0.00 0.00 53.44 51.64 1bsh n ALA 39 Cb 0.52 -1.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -4.81 3.37 -0.67 0.00 -0.04 -1.26 -4.82 135.00 126.78 1bsh n PRO 40 Ca 0.06 -2.33 -0.31 0.00 -0.04 0.00 0.00 63.50 60.88 1bsh n PRO 40 Cb 0.56 -2.97 0.17 0.00 -0.04 0.00 0.00 33.50 31.22 1bsh n PRO 40 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1bsh n LEU 41 N 4.50 2.76 0.00 1.53 7.99 -1.26 -4.87 117.00 127.66 1bsh n LEU 41 Ca 0.69 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 57.06 1bsh n LEU 41 Cb 0.29 -1.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.15 1bsh n LEU 41 CO 0.87 -2.34 0.00 0.18 -1.51 0.00 0.00 177.39 174.59 1bsh n LEU 42 N -4.09 0.00 -0.55 2.23 4.77 -1.20 -2.91 117.00 115.24 1bsh n LEU 42 Ca 0.11 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.16 1bsh n LEU 42 Cb 0.52 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.78 1bsh n LEU 42 CO 0.50 0.00 0.38 0.35 -1.33 0.00 0.00 177.39 177.28 1bsh n THR 43 N 0.00 1.84 -3.95 -5.08 -2.24 -1.00 -1.31 114.28 102.54 1bsh n THR 43 Ca 0.00 -2.67 -0.35 0.00 -2.27 0.00 0.00 64.05 58.76 1bsh n THR 43 Cb 0.00 -0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 67.99 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 -2.72 2.72 0.51 6.98 0.00 -0.96 -2.79 121.76 125.49 1bsh s ALA 44 Ca 0.35 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1bsh s ALA 44 Cb 0.34 -1.62 0.01 0.00 0.00 0.00 0.00 23.12 21.84 1bsh s ALA 44 CO -0.05 -0.47 0.28 -1.50 0.00 0.00 0.00 175.76 174.02 1bsh s ILE 45 N 1.43 1.73 -0.09 0.00 2.07 -1.07 -3.78 121.20 121.49 1bsh s ILE 45 Ca 0.05 -1.62 0.04 0.00 -1.41 0.00 0.00 60.65 57.71 1bsh s ILE 45 Cb -0.14 -2.35 -0.00 0.00 0.13 0.00 0.00 42.46 40.09 1bsh s ILE 45 CO -0.05 0.00 -0.24 -0.54 -1.91 0.00 0.00 174.94 172.20 1bsh s LYS 46 N -4.12 2.90 0.00 3.50 1.02 -1.26 -4.70 119.74 117.07 1bsh s LYS 46 Ca 0.30 -0.86 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1bsh s LYS 46 Cb -0.00 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.07 1bsh s LYS 46 CO 0.18 0.21 0.00 -0.35 -0.92 0.00 0.00 175.35 174.47 1bsh n PRO 47 N 3.43 0.52 0.00 -1.68 -0.04 -1.26 -4.67 135.00 131.30 1bsh n PRO 47 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1bsh n PRO 47 Cb 0.53 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 1bsh n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 48 N 4.83 0.68 3.79 0.55 0.00 -1.08 -1.26 105.19 112.71 1bsh n GLY 48 Ca 0.00 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1bsh n GLY 48 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bsh s MET 49 N 0.00 2.21 -0.19 1.61 0.23 -1.06 -2.61 119.30 119.49 1bsh s MET 49 Ca 0.00 -2.06 -0.05 0.00 -1.03 0.00 0.00 55.69 52.55 1bsh s MET 49 Cb 0.00 -1.88 0.09 0.00 -1.53 0.00 0.00 34.83 31.51 1bsh s MET 49 CO 0.00 -0.33 0.35 -1.50 -2.03 0.00 0.00 175.02 171.51 1bsh s ILE 50 N -2.73 -0.55 -0.23 3.16 2.07 -1.05 -2.43 121.20 119.44 1bsh s ILE 50 Ca 0.29 0.12 -0.07 0.00 -1.41 0.00 0.00 60.65 59.58 1bsh s ILE 50 Cb 0.02 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 1bsh s ILE 50 CO 0.17 0.02 0.07 -0.60 -1.91 0.00 0.00 174.94 172.69 1bsh s ARG 51 N 2.52 3.78 0.28 3.50 3.52 0.11 -0.99 118.95 131.68 1bsh s ARG 51 Ca 0.03 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.23 1bsh s ARG 51 Cb -0.13 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1bsh s ARG 51 CO -0.12 -0.02 0.09 -0.89 -0.81 0.00 0.00 175.30 173.55 1bsh n ILE 52 N 4.44 0.00 -3.19 4.11 5.41 -0.96 0.28 119.36 129.43 1bsh n ILE 52 Ca -0.16 -1.60 0.01 0.00 1.00 0.00 0.00 62.75 62.00 1bsh n ILE 52 Cb 0.52 0.56 -0.02 0.00 -0.71 0.00 0.00 39.64 39.98 1bsh n ILE 52 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1bsh s VAL 53 N -2.56 -0.92 -0.16 1.39 1.01 0.56 -2.58 120.40 117.15 1bsh s VAL 53 Ca 0.13 -0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.79 1bsh s VAL 53 Cb 0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1bsh s VAL 53 CO 0.09 -0.03 2.10 1.17 0.00 0.00 0.00 175.10 178.44 1bsh n LYS 54 N 5.42 2.05 -4.02 2.72 4.81 -0.30 -2.46 118.16 126.38 1bsh n LYS 54 Ca -0.01 0.65 -0.43 0.00 -0.87 0.00 0.00 58.31 57.65 1bsh n LYS 54 Cb 0.51 -2.96 0.02 0.00 0.02 0.00 0.00 35.03 32.62 1bsh n LYS 54 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1bsh n GLN 55 N 8.02 -0.49 -4.30 1.64 6.02 -1.26 0.48 117.38 127.49 1bsh n GLN 55 Ca 0.28 0.21 -0.35 0.00 -0.01 0.00 0.00 57.00 57.13 1bsh n GLN 55 Cb 0.38 -2.49 -0.06 0.00 1.02 0.00 0.00 30.24 29.08 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1bsh n HIS 56 N -4.59 -1.42 0.00 1.08 -0.00 -1.16 -4.84 115.22 104.30 1bsh n HIS 56 Ca -0.15 0.70 0.00 0.00 0.46 0.00 0.00 57.72 58.73 1bsh n HIS 56 Cb 0.59 -2.74 0.00 0.00 -0.12 0.00 0.00 29.99 27.72 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 57 N -1.76 3.65 3.57 1.57 0.00 0.18 -5.09 105.19 107.30 1bsh n GLY 57 Ca -0.10 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 0.00 0.52 -3.90 1.61 8.25 -1.25 -4.56 115.22 115.88 1bsh n HIS 58 Ca 0.00 0.50 -0.36 0.00 -0.26 0.00 0.00 57.72 57.60 1bsh n HIS 58 Cb 0.00 -2.12 -0.12 0.00 1.12 0.00 0.00 29.99 28.87 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1bsh s GLU 59 N -2.21 3.69 -0.12 -0.41 2.02 -1.26 -1.15 118.70 119.27 1bsh s GLU 59 Ca 0.68 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 55.20 1bsh s GLU 59 Cb -0.50 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.53 1bsh s GLU 59 CO 0.53 -0.05 -0.10 -1.21 0.02 0.00 0.00 175.26 174.45 1bsh s GLU 60 N 1.22 1.76 0.07 1.61 2.02 -1.07 -4.96 118.70 119.36 1bsh s GLU 60 Ca 0.04 -0.36 0.06 0.00 0.02 0.00 0.00 54.97 54.74 1bsh s GLU 60 Cb -0.14 -1.71 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1bsh s GLU 60 CO 0.03 -0.22 -0.11 -0.59 0.02 0.00 0.00 175.26 174.38 1bsh s PHE 61 N 1.53 2.73 0.00 1.61 -0.12 -1.26 -2.27 117.98 120.19 1bsh s PHE 61 Ca 0.03 -0.16 0.00 0.00 -0.05 0.00 0.00 56.93 56.75 1bsh s PHE 61 Cb -0.13 -1.47 0.00 0.00 -0.63 0.00 0.00 43.02 40.79 1bsh s PHE 61 CO -0.07 0.38 0.00 -0.89 -0.05 0.00 0.00 175.22 174.59 1bsh n ILE 62 N 1.05 0.00 -3.64 -4.49 5.41 -0.16 -4.31 119.36 113.21 1bsh n ILE 62 Ca -0.14 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.58 1bsh n ILE 62 Cb 0.52 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.39 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 1.13 -0.37 0.15 1.39 6.14 -1.26 -2.52 117.35 122.01 1bsh s TYR 63 Ca 0.00 0.78 0.03 0.00 0.64 0.00 0.00 57.07 58.53 1bsh s TYR 63 Cb 0.00 0.30 -0.01 0.00 0.42 0.00 0.00 41.96 42.67 1bsh s TYR 63 CO 0.00 -0.18 0.14 1.28 0.64 0.00 0.00 175.55 177.42 1bsh n LEU 64 N 2.99 0.00 0.00 6.97 4.32 -1.07 -3.21 117.00 126.99 1bsh n LEU 64 Ca -0.16 -1.47 0.00 0.00 -0.02 0.00 0.00 56.01 54.36 1bsh n LEU 64 Cb 0.57 0.80 0.00 0.00 -1.62 0.00 0.00 43.42 43.17 1bsh n LEU 64 CO 0.03 -0.25 0.28 -1.54 -1.22 0.00 0.00 177.39 174.69 1bsh n SER 65 N -2.36 0.90 0.00 -1.43 3.41 -1.26 -2.62 113.62 110.25 1bsh n SER 65 Ca 0.03 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1bsh n SER 65 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bsh n GLY 66 N -0.15 4.13 0.00 5.00 0.00 -1.26 -4.80 105.19 108.10 1bsh n GLY 66 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.78 -2.13 3.76 -0.02 0.00 -1.26 -3.36 105.19 100.40 1bsh n GLY 67 Ca 0.00 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 1bsh n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1bsh s ILE 68 N -2.45 4.94 -0.09 -0.61 -4.36 -0.45 -2.59 121.20 115.59 1bsh s ILE 68 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.40 1bsh s ILE 68 Cb 0.00 -3.15 0.02 0.00 1.25 0.00 0.00 42.46 40.58 1bsh s ILE 68 CO 0.00 0.58 -0.12 -0.22 0.24 0.00 0.00 174.94 175.42 1bsh s LEU 69 N -0.67 1.54 -0.02 0.37 0.20 -1.12 -1.89 118.68 117.09 1bsh s LEU 69 Ca 0.12 -0.34 0.05 0.00 0.69 0.00 0.00 54.13 54.65 1bsh s LEU 69 Cb -0.12 -0.91 -0.01 0.00 -0.43 0.00 0.00 46.19 44.72 1bsh s LEU 69 CO 0.02 -0.01 -0.17 -1.83 -0.29 0.00 0.00 176.35 174.07 1bsh s GLU 70 N 1.05 1.45 -0.08 1.98 -1.05 -0.43 -2.27 118.70 119.35 1bsh s GLU 70 Ca -0.07 -0.62 -0.05 0.00 -0.15 0.00 0.00 54.97 54.08 1bsh s GLU 70 Cb -0.15 -1.38 -0.04 0.00 -0.44 0.00 0.00 34.13 32.12 1bsh s GLU 70 CO -0.01 0.36 0.14 0.54 0.95 0.00 0.00 175.26 177.24 1bsh s VAL 71 N -0.35 5.40 0.21 1.83 0.11 -1.15 -2.86 120.40 123.60 1bsh s VAL 71 Ca 0.05 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.24 1bsh s VAL 71 Cb -0.07 -3.41 -0.05 0.00 -1.53 0.00 0.00 36.38 31.33 1bsh s VAL 71 CO -0.00 0.52 -0.17 -1.10 -3.33 0.00 0.00 175.10 171.02 1bsh s GLN 72 N -1.33 1.39 -1.08 1.54 -1.52 -0.07 -4.80 119.66 113.78 1bsh s GLN 72 Ca 0.19 -1.58 -0.22 0.00 -1.95 0.00 0.00 55.36 51.80 1bsh s GLN 72 Cb -0.12 -1.32 0.02 0.00 -0.22 0.00 0.00 33.01 31.37 1bsh s GLN 72 CO 0.09 0.24 1.67 -1.25 -0.25 0.00 0.00 175.29 175.79 1bsh s PRO 73 N -3.40 3.37 0.00 2.91 0.04 -1.26 -2.72 135.00 133.95 1bsh s PRO 73 Ca 0.22 -1.19 0.00 0.00 0.04 0.00 0.00 61.00 60.08 1bsh s PRO 73 Cb -0.03 -5.34 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1bsh s PRO 73 CO 0.08 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 174.90 1bsh n GLY 74 N 6.40 0.94 0.00 0.56 0.00 -1.26 -5.09 105.19 106.74 1bsh n GLY 74 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1bsh n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsh n ASN 75 N 0.00 0.00 -3.74 1.61 0.23 -1.10 -3.94 115.26 108.32 1bsh n ASN 75 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.91 1bsh n ASN 75 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 1bsh n ASN 75 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1bsh s VAL 76 N -2.00 0.04 -0.00 3.53 0.11 0.76 -0.89 120.40 121.95 1bsh s VAL 76 Ca 0.00 -0.36 -0.01 0.00 -2.93 0.00 0.00 61.98 58.68 1bsh s VAL 76 Cb 0.00 -0.64 -0.00 0.00 -1.53 0.00 0.00 36.38 34.21 1bsh s VAL 76 CO 0.00 -0.20 0.02 0.42 -3.33 0.00 0.00 175.10 172.01 1bsh s THR 77 N -1.08 0.03 -0.12 5.04 -4.23 -1.13 -0.90 115.64 113.25 1bsh s THR 77 Ca -0.11 -0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.05 1bsh s THR 77 Cb -0.04 -0.12 0.03 0.00 1.34 0.00 0.00 72.50 73.71 1bsh s THR 77 CO 0.04 -0.14 0.30 0.68 -0.54 0.00 0.00 174.62 174.97 1bsh s VAL 78 N -0.40 -0.01 -0.08 2.29 -7.23 -0.56 -2.46 120.40 111.94 1bsh s VAL 78 Ca -0.05 0.02 0.02 0.00 -1.81 0.00 0.00 61.98 60.17 1bsh s VAL 78 Cb -0.03 -0.43 -0.02 0.00 0.56 0.00 0.00 36.38 36.46 1bsh s VAL 78 CO -0.00 0.01 -0.14 -0.22 -0.31 0.00 0.00 175.10 174.43 1bsh s LEU 79 N 0.36 2.69 0.50 1.32 0.20 -0.79 -1.60 118.68 121.35 1bsh s LEU 79 Ca -0.02 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.55 1bsh s LEU 79 Cb -0.03 -1.57 -0.01 0.00 -0.43 0.00 0.00 46.19 44.15 1bsh s LEU 79 CO -0.01 0.27 0.03 0.00 -0.29 0.00 0.00 176.35 176.35 1bsh s ALA 80 N -0.27 3.97 -0.20 5.97 0.00 -0.93 -1.35 121.76 128.96 1bsh s ALA 80 Ca 0.02 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1bsh s ALA 80 Cb -0.13 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.11 1bsh s ALA 80 CO 0.03 -0.08 0.20 -0.25 0.00 0.00 0.00 175.76 175.65 1bsh n ASP 81 N -1.33 0.69 -4.35 0.00 8.00 -1.21 -3.88 116.55 114.47 1bsh n ASP 81 Ca -0.18 -0.54 -0.18 0.00 0.71 0.00 0.00 54.79 54.60 1bsh n ASP 81 Cb 0.66 1.03 -0.10 0.00 -0.02 0.00 0.00 41.12 42.69 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bsh s THR 82 N -1.57 1.58 -0.30 -3.53 2.01 -1.26 -4.64 115.64 107.92 1bsh s THR 82 Ca 0.01 -2.16 -0.14 0.00 0.31 0.00 0.00 61.69 59.71 1bsh s THR 82 Cb 0.04 -2.12 0.15 0.00 0.01 0.00 0.00 72.50 70.58 1bsh s THR 82 CO 0.20 -0.54 0.91 0.00 -0.69 0.00 0.00 174.62 174.50 1bsh s ALA 83 N -3.07 -2.47 -0.04 7.40 0.00 -1.26 -4.38 121.76 117.94 1bsh s ALA 83 Ca 0.23 2.15 -0.01 0.00 0.00 0.00 0.00 51.96 54.34 1bsh s ALA 83 Cb 0.01 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 1bsh s ALA 83 CO 0.07 -0.81 -0.04 -0.89 0.00 0.00 0.00 175.76 174.09 1bsh n ILE 84 N 4.80 0.20 -0.45 0.00 5.41 -1.20 -5.05 119.36 123.07 1bsh n ILE 84 Ca -0.12 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1bsh n ILE 84 Cb 0.53 -1.11 0.00 0.00 -0.71 0.00 0.00 39.64 38.36 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 -2.89 -1.20 0.31 0.38 0.63 -1.26 -2.61 116.66 110.01 1bsh n ARG 85 Ca -0.07 0.92 0.19 0.00 -0.92 0.00 0.00 57.85 57.98 1bsh n ARG 85 Cb 0.56 -1.12 1.03 0.00 0.45 0.00 0.00 32.46 33.38 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 0.16 0.00 0.00 5.14 0.00 -1.81 -2.93 103.07 103.63 1bsh h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bsh h GLY 86 CO 0.00 0.00 -0.05 1.46 0.00 0.00 0.00 176.54 177.95 1bsh h GLN 87 N 0.00 0.00 -5.10 4.80 4.20 -1.85 -3.30 115.11 113.86 1bsh h GLN 87 Ca 0.02 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1bsh h GLN 87 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1bsh h GLN 87 CO -0.00 0.00 -0.06 -0.40 -0.67 0.00 0.00 178.83 177.70 1bsh n ASP 88 N -3.76 -1.13 -0.77 1.46 5.68 -1.07 -4.44 116.55 112.51 1bsh n ASP 88 Ca -0.01 0.39 0.10 0.00 -0.50 0.00 0.00 54.79 54.78 1bsh n ASP 88 Cb 0.02 -1.10 -0.03 0.00 -1.14 0.00 0.00 41.12 38.87 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 -2.60 0.00 0.00 -2.12 4.32 -1.26 -4.80 117.00 110.53 1bsh n LEU 89 Ca 0.00 0.82 0.00 0.00 -0.02 0.00 0.00 56.01 56.82 1bsh n LEU 89 Cb 0.50 -2.55 0.00 0.00 -1.62 0.00 0.00 43.42 39.75 1bsh n LEU 89 CO 0.06 -1.51 0.00 0.47 -1.22 0.00 0.00 177.39 175.19 1bsh n ASP 90 N -4.39 -0.56 0.00 -1.43 8.00 -1.26 -4.92 116.55 111.99 1bsh n ASP 90 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1bsh n ASP 90 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bsh n GLU 91 N 0.00 0.00 0.15 -1.24 1.02 -1.26 -4.95 120.64 114.36 1bsh n GLU 91 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1bsh n GLU 91 Cb 0.00 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 31.67 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 0.00 0.91 -0.07 0.62 0.00 -2.00 -3.13 119.26 115.59 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 2.89 0.00 0.00 0.00 179.25 182.14 1bsh n ARG 93 N -2.63 1.31 -0.03 0.00 -4.01 -1.26 -3.46 116.66 106.58 1bsh n ARG 93 Ca 0.04 -0.46 -0.09 0.00 -1.04 0.00 0.00 57.85 56.30 1bsh n ARG 93 Cb 0.48 -1.32 -0.14 0.00 -3.04 0.00 0.00 32.46 28.44 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1bsh n ALA 94 N -0.31 1.48 1.00 2.89 0.00 -1.18 -3.75 120.51 120.62 1bsh n ALA 94 Ca 0.14 -0.80 0.10 0.00 0.00 0.00 0.00 53.44 52.89 1bsh n ALA 94 Cb 0.17 -0.80 0.52 0.00 0.00 0.00 0.00 19.45 19.34 1bsh n ALA 94 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1bsh n MET 95 N -3.04 0.33 -0.03 0.00 2.81 -1.22 -2.30 117.12 113.66 1bsh n MET 95 Ca -0.18 0.08 0.13 0.00 -1.81 0.00 0.00 57.70 55.92 1bsh n MET 95 Cb 1.06 -1.50 0.46 0.00 -0.71 0.00 0.00 33.22 32.53 1bsh n MET 95 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1bsh n GLU 96 N -1.25 1.70 -0.01 0.03 1.02 -1.25 -4.01 120.64 116.87 1bsh n GLU 96 Ca 0.10 -1.03 -0.22 0.00 -0.02 0.00 0.00 57.16 55.99 1bsh n GLU 96 Cb 0.15 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 29.99 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh h ALA 97 N 4.25 0.35 0.00 0.62 0.00 -1.68 -3.06 119.26 119.75 1bsh h ALA 97 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1bsh h ALA 97 Cb 0.50 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1bsh h ALA 97 CO 0.00 1.11 0.00 -0.22 0.00 0.00 0.00 179.25 180.14 1bsh h LYS 98 N -0.19 0.00 0.00 0.00 3.64 -1.75 -1.54 116.57 116.73 1bsh h LYS 98 Ca -0.39 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.79 1bsh h LYS 98 Cb 1.86 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.64 1bsh h LYS 98 CO 0.03 0.00 -1.48 -0.09 -2.27 0.00 0.00 179.45 175.64 1bsh h ARG 99 N 0.00 0.00 0.00 1.90 2.43 -1.70 -3.20 114.38 113.81 1bsh h ARG 99 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bsh h ARG 99 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1bsh h ARG 99 CO 0.00 0.35 -0.53 0.36 -1.51 0.00 0.00 179.97 178.65 1bsh n LYS 100 N -2.94 0.08 -0.08 0.20 2.85 -1.02 -3.46 118.16 113.79 1bsh n LYS 100 Ca -0.11 0.02 -0.07 0.00 -1.05 0.00 0.00 58.31 57.09 1bsh n LYS 100 Cb 0.90 -1.55 -0.03 0.00 -0.65 0.00 0.00 35.03 33.70 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh n ALA 101 N -1.59 0.51 0.00 0.58 0.00 -0.61 -4.21 120.51 115.20 1bsh n ALA 101 Ca 0.05 -0.44 0.15 0.00 0.00 0.00 0.00 53.44 53.20 1bsh n ALA 101 Cb 0.36 -0.07 0.61 0.00 0.00 0.00 0.00 19.45 20.35 1bsh n ALA 101 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bsh h GLU 102 N -1.00 0.16 -0.96 0.00 4.81 -1.74 -0.80 114.58 115.06 1bsh h GLU 102 Ca -0.06 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.33 1bsh h GLU 102 Cb 0.64 -0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.90 1bsh h GLU 102 CO -0.03 0.11 0.61 1.49 -0.73 0.00 0.00 179.01 180.45 1bsh h GLU 103 N 0.17 0.71 0.00 1.92 4.81 -1.73 -0.40 114.58 120.07 1bsh h GLU 103 Ca 0.23 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.24 1bsh h GLU 103 Cb 0.69 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.88 1bsh h GLU 103 CO -0.03 0.47 -1.31 0.45 -0.73 0.00 0.00 179.01 177.86 1bsh h HIS 104 N 0.73 0.00 -0.28 0.92 3.86 -1.34 -3.30 115.15 115.75 1bsh h HIS 104 Ca 0.51 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.67 1bsh h HIS 104 Cb 0.81 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 1bsh h HIS 104 CO -0.00 0.63 0.06 -0.89 0.86 0.00 0.00 177.93 178.59 1bsh n ILE 105 N -2.97 1.33 -1.54 2.45 5.41 -0.26 -4.86 119.36 118.91 1bsh n ILE 105 Ca -0.09 -0.63 -0.19 0.00 1.00 0.00 0.00 62.75 62.85 1bsh n ILE 105 Cb 0.85 -0.50 -0.10 0.00 -0.71 0.00 0.00 39.64 39.19 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bsh n SER 106 N 0.16 1.12 -1.58 4.38 7.64 -0.59 -4.12 113.62 120.63 1bsh n SER 106 Ca 0.15 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.90 1bsh n SER 106 Cb 0.72 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1bsh n SER 106 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bsh n SER 107 N 15.36 -6.63 -3.71 6.43 3.41 -1.26 -5.03 113.62 122.18 1bsh n SER 107 Ca 0.51 0.95 -0.22 0.00 -0.26 0.00 0.00 58.87 59.85 1bsh n SER 107 Cb 0.37 -3.69 -0.18 0.00 -0.26 0.00 0.00 64.21 60.45 1bsh n SER 107 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bsh s SER 108 N -0.35 1.49 -0.68 4.04 0.15 -1.26 -5.04 113.70 112.06 1bsh s SER 108 Ca 0.00 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.60 1bsh s SER 108 Cb 0.00 -0.30 0.36 0.00 -1.71 0.00 0.00 66.02 64.36 1bsh s SER 108 CO 0.00 -0.23 1.31 1.57 1.20 0.00 0.00 173.24 177.09 1bsh n HIS 109 N 5.22 3.50 -3.80 3.44 -0.00 -1.26 -4.98 115.22 117.34 1bsh n HIS 109 Ca -0.05 -3.28 -0.18 0.00 0.46 0.00 0.00 57.72 54.67 1bsh n HIS 109 Cb 0.50 -0.63 -0.17 0.00 -0.12 0.00 0.00 29.99 29.57 1bsh n HIS 109 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1bsh s GLY 110 N -2.74 0.24 0.00 1.57 0.00 -1.26 -5.04 107.32 100.09 1bsh s GLY 110 Ca 0.47 0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1bsh s GLY 110 CO -0.18 0.92 0.48 1.22 0.00 0.00 0.00 173.10 175.53 1bsh n ASP 111 N 4.62 0.00 -0.00 1.64 8.00 -1.26 -3.92 116.55 125.62 1bsh n ASP 111 Ca -0.17 0.48 0.01 0.00 0.71 0.00 0.00 54.79 55.81 1bsh n ASP 111 Cb 0.50 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 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 -0.84 0.00 0.00 2.53 0.24 -1.26 -4.40 118.33 114.60 1bsh n VAL 112 Ca 0.00 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1bsh n VAL 112 Cb 0.00 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.06 0.00 0.13 -1.34 9.92 -1.26 -0.48 116.55 122.46 1bsh n ASP 113 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.39 1bsh n ASP 113 Cb 0.04 0.00 0.49 0.00 -0.64 0.00 0.00 41.12 41.01 1bsh n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bsh n TYR 114 N 0.00 0.86 0.27 1.24 9.36 -1.26 -2.10 117.16 125.53 1bsh n TYR 114 Ca 0.00 0.33 0.14 0.00 3.32 0.00 0.00 57.90 61.69 1bsh n TYR 114 Cb 0.00 -1.03 0.73 0.00 -0.63 0.00 0.00 39.34 38.41 1bsh n TYR 114 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bsh h ALA 115 N 2.28 1.16 0.20 2.98 0.00 -1.66 -2.64 119.26 121.58 1bsh h ALA 115 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1bsh h ALA 115 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bsh h ALA 115 CO 0.00 0.13 -0.10 0.37 0.00 0.00 0.00 179.25 179.65 1bsh h GLN 116 N 0.00 -0.26 0.00 0.00 4.15 -0.22 -1.60 115.11 117.17 1bsh h GLN 116 Ca -0.00 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1bsh h GLN 116 Cb 0.39 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1bsh h GLN 116 CO 0.01 0.13 -0.00 0.00 -1.93 0.00 0.00 178.83 177.04 1bsh h ALA 117 N -0.21 1.02 0.11 3.38 0.00 -1.69 -1.71 119.26 120.17 1bsh h ALA 117 Ca -0.03 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1bsh h ALA 117 Cb 0.51 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1bsh h ALA 117 CO 0.05 0.00 -0.80 0.66 0.00 0.00 0.00 179.25 179.16 1bsh h SER 118 N 0.00 0.50 0.36 0.00 4.64 -1.27 -3.24 113.55 114.55 1bsh h SER 118 Ca -0.00 -0.91 -0.04 0.00 -0.47 0.00 0.00 61.79 60.37 1bsh h SER 118 Cb 0.05 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1bsh h SER 118 CO 0.00 1.37 -0.20 0.00 -0.87 0.00 0.00 176.83 177.13 1bsh h ALA 119 N 0.14 1.38 0.00 5.18 0.00 -0.44 -1.56 119.26 123.97 1bsh h ALA 119 Ca -0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bsh h ALA 119 Cb 1.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.35 1bsh h ALA 119 CO 0.15 0.25 -0.01 0.93 0.00 0.00 0.00 179.25 180.57 1bsh h GLU 120 N 0.00 0.00 0.00 0.00 4.39 -1.40 -0.91 114.58 116.66 1bsh h GLU 120 Ca -0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1bsh h GLU 120 Cb 0.44 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 1bsh h GLU 120 CO 0.03 0.01 -1.28 1.28 -1.16 0.00 0.00 179.01 177.89 1bsh n LEU 121 N -3.17 0.87 0.23 1.33 4.77 -0.59 -3.78 117.00 116.66 1bsh n LEU 121 Ca -0.02 0.37 0.15 0.00 -0.03 0.00 0.00 56.01 56.48 1bsh n LEU 121 Cb 0.13 0.03 0.82 0.00 -2.33 0.00 0.00 43.42 42.08 1bsh n LEU 121 CO 0.23 0.04 0.97 0.00 -1.33 0.00 0.00 177.39 177.29 1bsh h ALA 122 N 1.60 1.01 -0.52 -1.18 0.00 -1.11 -1.81 119.26 117.25 1bsh h ALA 122 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1bsh h ALA 122 Cb 1.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1bsh h ALA 122 CO 0.03 -0.01 0.18 0.87 0.00 0.00 0.00 179.25 180.32 1bsh h LYS 123 N 0.00 0.79 0.00 0.00 1.57 -1.65 -1.11 116.57 116.17 1bsh h LYS 123 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1bsh h LYS 123 Cb 0.02 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.21 1bsh h LYS 123 CO 0.00 0.72 0.00 0.00 -0.57 0.00 0.00 179.45 179.60 1bsh n ALA 124 N -2.36 1.88 0.73 3.86 0.00 -0.68 -1.96 120.51 121.98 1bsh n ALA 124 Ca 0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1bsh n ALA 124 Cb 0.18 -1.26 0.30 0.00 0.00 0.00 0.00 19.45 18.67 1bsh n ALA 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bsh n ILE 125 N -1.30 0.28 0.07 0.00 -0.00 -0.42 -3.54 119.36 114.45 1bsh n ILE 125 Ca 0.07 -0.18 0.03 0.00 -0.00 0.00 0.00 62.75 62.67 1bsh n ILE 125 Cb 0.13 -0.20 -0.04 0.00 -0.00 0.00 0.00 39.64 39.54 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 2.68 0.64 0.00 -1.39 0.00 -1.41 -3.29 119.26 116.49 1bsh h ALA 126 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1bsh h ALA 126 Cb 0.66 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1bsh h ALA 126 CO 0.00 0.68 -0.27 -0.56 0.00 0.00 0.00 179.25 179.10 1bsh h GLN 127 N 0.00 0.00 0.00 0.00 3.07 -1.67 -3.22 115.11 113.29 1bsh h GLN 127 Ca -0.10 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.59 1bsh h GLN 127 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.98 1bsh h GLN 127 CO 0.04 0.00 -0.29 1.25 0.09 0.00 0.00 178.83 179.92 1bsh h LEU 128 N 0.00 0.00 0.10 0.06 5.85 -1.62 -2.72 115.31 116.98 1bsh h LEU 128 Ca 0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1bsh h LEU 128 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1bsh h LEU 128 CO 0.00 0.27 -1.57 -0.09 -0.34 0.00 0.00 178.44 176.71 1bsh h ARG 129 N 0.00 0.22 0.00 1.25 2.43 -1.67 -2.94 114.38 113.66 1bsh h ARG 129 Ca -0.00 -0.37 -0.15 0.00 -0.81 0.00 0.00 59.98 58.65 1bsh h ARG 129 Cb 1.21 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 1bsh h ARG 129 CO 0.04 1.05 -0.70 -0.39 -1.51 0.00 0.00 179.97 178.46 1bsh h VAL 130 N 0.06 1.36 0.05 0.20 -1.51 -1.62 -3.22 116.25 111.58 1bsh h VAL 130 Ca -0.25 -2.52 -0.27 0.00 -1.23 0.00 0.00 66.70 62.43 1bsh h VAL 130 Cb 2.01 2.41 0.02 0.00 -2.13 0.00 0.00 31.29 33.60 1bsh h VAL 130 CO 0.15 0.69 -1.11 -0.29 -1.23 0.00 0.00 177.57 175.78 1bsh h ILE 131 N 0.00 1.33 -0.12 7.19 2.10 -1.57 -3.05 117.51 123.40 1bsh h ILE 131 Ca -0.01 -2.44 0.03 0.00 1.08 0.00 0.00 64.86 63.53 1bsh h ILE 131 Cb 1.36 2.55 -0.00 0.00 -1.09 0.00 0.00 36.82 39.63 1bsh h ILE 131 CO 0.09 0.74 0.18 -0.33 -1.08 0.00 0.00 178.15 177.75 1bsh h GLU 132 N 0.29 0.00 0.02 2.19 4.39 -1.53 0.53 114.58 120.47 1bsh h GLU 132 Ca -0.14 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.31 1bsh h GLU 132 Cb 1.77 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.43 1bsh h GLU 132 CO 0.21 0.00 -1.03 -0.07 -1.16 0.00 0.00 179.01 176.95 1bsh h LEU 133 N 0.00 0.70 -1.95 1.33 3.38 -1.57 -3.04 115.31 114.16 1bsh h LEU 133 Ca 0.06 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1bsh h LEU 133 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1bsh h LEU 133 CO -0.00 1.39 0.03 0.71 0.09 0.00 0.00 178.44 180.65 1bsh h THR 134 N 0.28 0.00 0.01 0.22 1.35 -0.90 -1.50 112.91 112.37 1bsh h THR 134 Ca -0.11 0.00 -0.16 0.00 -0.55 0.00 0.00 66.41 65.58 1bsh h THR 134 Cb 1.69 0.65 0.01 0.00 -1.73 0.00 0.00 68.15 68.77 1bsh h THR 134 CO 0.19 0.00 -0.64 0.11 -0.25 0.00 0.00 175.52 174.93 1bsh h LYS 135 N 0.00 0.41 0.00 4.72 1.57 -1.48 -2.72 116.57 119.07 1bsh h LYS 135 Ca 0.00 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1bsh h LYS 135 Cb 0.06 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bsh h LYS 135 CO 0.00 1.12 0.00 1.17 -0.57 0.00 0.00 179.45 181.17 1bsh n LYS 136 N -4.20 0.22 0.00 3.15 4.81 -0.64 -4.33 118.16 117.18 1bsh n LYS 136 Ca -0.11 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1bsh n LYS 136 Cb 0.69 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bsh n ALA 137 N -1.75 0.00 1.15 3.14 0.00 -0.75 -5.15 120.51 117.16 1bsh n ALA 137 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1bsh n ALA 137 Cb 0.40 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.08 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17