#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 0.80 0.71 0.00 -2.45 -1.26 -4.82 119.30 112.28 1bsh s MET 2 Ca 0.00 -0.48 -0.17 0.00 -1.25 0.00 0.00 55.69 53.79 1bsh s MET 2 Cb 0.00 0.25 -0.11 0.00 1.25 0.00 0.00 34.83 36.21 1bsh s MET 2 CO 0.00 -0.37 -0.10 -2.37 1.05 0.00 0.00 175.02 173.23 1bsh n THR 3 N -0.63 0.54 -2.75 10.11 5.66 -1.26 -4.55 114.28 121.40 1bsh n THR 3 Ca -0.04 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 1bsh n THR 3 Cb 0.61 -0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.08 0.00 -4.58 1.09 0.18 -0.33 -4.95 117.16 106.49 1bsh n TYR 4 Ca 0.06 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.53 1bsh n TYR 4 Cb 0.50 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.35 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 -1.36 2.69 -0.18 -3.48 5.65 -1.24 -0.12 115.29 117.25 1bsh s HIS 5 Ca 0.00 -0.17 -0.07 0.00 0.25 0.00 0.00 55.06 55.06 1bsh s HIS 5 Cb 0.00 -1.52 -0.04 0.00 -1.18 0.00 0.00 32.58 29.84 1bsh s HIS 5 CO 0.00 0.30 0.07 -1.17 -0.65 0.00 0.00 174.74 173.29 1bsh s LEU 6 N -1.43 3.89 -0.38 8.88 1.98 -0.16 -0.84 118.68 130.62 1bsh s LEU 6 Ca 0.16 0.13 0.01 0.00 -2.89 0.00 0.00 54.13 51.53 1bsh s LEU 6 Cb -0.11 -1.98 0.14 0.00 0.66 0.00 0.00 46.19 44.90 1bsh s LEU 6 CO 0.06 0.20 0.23 -0.62 -1.89 0.00 0.00 176.35 174.33 1bsh s ASP 7 N 0.23 2.98 -0.24 3.68 -1.08 -0.45 -2.67 116.67 119.11 1bsh s ASP 7 Ca 0.05 -2.39 -0.03 0.00 -0.52 0.00 0.00 52.55 49.66 1bsh s ASP 7 Cb -0.12 -0.55 0.02 0.00 -1.46 0.00 0.00 42.92 40.80 1bsh s ASP 7 CO 0.00 -0.28 -0.05 0.54 0.52 0.00 0.00 175.17 175.90 1bsh s VAL 8 N 0.78 3.06 0.39 1.11 0.11 -0.99 -2.31 120.40 122.56 1bsh s VAL 8 Ca 0.19 -0.86 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1bsh s VAL 8 Cb -0.20 -2.50 -0.06 0.00 -1.53 0.00 0.00 36.38 32.09 1bsh s VAL 8 CO -0.01 0.26 0.04 0.68 -3.33 0.00 0.00 175.10 172.73 1bsh s VAL 9 N 1.38 1.40 0.00 2.04 -7.23 -1.08 -2.77 120.40 114.14 1bsh s VAL 9 Ca 0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 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 -0.04 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.55 1bsh n SER 10 N -0.94 0.08 -0.28 4.85 7.64 -0.75 -2.82 113.62 121.40 1bsh n SER 10 Ca -0.06 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.87 1bsh n SER 10 Cb 0.67 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 64.06 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh h ALA 11 N 1.00 1.17 0.00 -0.43 0.00 -1.83 -3.37 119.26 115.80 1bsh h ALA 11 Ca 0.00 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1bsh h ALA 11 Cb 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 1bsh h ALA 11 CO 0.00 -0.10 -0.19 -0.85 0.00 0.00 0.00 179.25 178.10 1bsh n GLU 12 N -4.90 0.91 -3.72 0.00 0.28 -1.26 -5.14 120.64 106.82 1bsh n GLU 12 Ca 0.15 -1.45 -0.12 0.00 -0.16 0.00 0.00 57.16 55.58 1bsh n GLU 12 Cb 0.39 -0.01 -0.07 0.00 1.43 0.00 0.00 31.44 33.19 1bsh n GLU 12 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 1bsh s GLN 13 N 0.15 0.87 0.29 3.44 -2.07 -1.26 -5.17 119.66 115.90 1bsh s GLN 13 Ca 0.16 -0.50 0.09 0.00 -1.82 0.00 0.00 55.36 53.29 1bsh s GLN 13 Cb 0.30 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.56 1bsh s GLN 13 CO -0.07 -0.29 0.07 -0.65 -1.32 0.00 0.00 175.29 173.03 1bsh s GLN 14 N -2.70 2.41 0.00 9.60 -0.21 -1.26 -1.80 119.66 125.70 1bsh s GLN 14 Ca -0.04 -1.40 0.00 0.00 0.02 0.00 0.00 55.36 53.94 1bsh s GLN 14 Cb -0.00 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.78 1bsh s GLN 14 CO -0.04 0.29 0.00 -1.33 -2.12 0.00 0.00 175.29 172.09 1bsh n MET 15 N -1.02 0.00 -3.64 2.91 2.81 -1.12 -4.98 117.12 112.08 1bsh n MET 15 Ca -0.06 0.00 -0.26 0.00 -1.81 0.00 0.00 57.70 55.58 1bsh n MET 15 Cb 0.59 -0.16 -0.17 0.00 -0.71 0.00 0.00 33.22 32.77 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 -1.66 0.37 -0.38 2.03 2.19 -1.25 -5.00 117.98 114.29 1bsh s PHE 16 Ca 0.00 -0.38 0.01 0.00 0.33 0.00 0.00 56.93 56.89 1bsh s PHE 16 Cb 0.00 -0.75 0.15 0.00 -1.31 0.00 0.00 43.02 41.11 1bsh s PHE 16 CO 0.00 -0.50 0.26 -1.54 1.83 0.00 0.00 175.22 175.26 1bsh s SER 17 N 2.08 2.47 0.00 6.13 1.04 -1.14 -2.34 113.70 121.94 1bsh s SER 17 Ca 0.02 -2.52 0.00 0.00 0.48 0.00 0.00 55.95 53.93 1bsh s SER 17 Cb -0.16 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1bsh s SER 17 CO -0.08 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1bsh n GLY 18 N 3.60 1.25 3.93 7.32 0.00 -1.09 -4.96 105.19 115.24 1bsh n GLY 18 Ca 0.18 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 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 2.72 0.00 0.99 1.43 -1.26 -0.99 118.68 121.57 1bsh s LEU 19 Ca 0.00 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1bsh s LEU 19 Cb 0.00 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1bsh s LEU 19 CO 0.00 -2.29 0.00 0.55 0.23 0.00 0.00 176.35 174.84 1bsh n VAL 20 N -3.43 0.00 0.00 -1.59 3.14 0.83 -4.33 118.33 112.96 1bsh n VAL 20 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1bsh n VAL 20 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 1bsh n VAL 20 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1bsh n GLU 21 N -0.18 0.00 -3.60 1.45 2.13 -1.05 -1.19 120.64 118.20 1bsh n GLU 21 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 1bsh n GLU 21 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 1bsh n GLU 21 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1bsh n LYS 22 N -0.72 2.47 -3.87 5.31 0.00 -1.15 -4.25 118.16 115.95 1bsh n LYS 22 Ca 0.00 -4.56 -0.35 0.00 0.00 0.00 0.00 58.31 53.40 1bsh n LYS 22 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 35.03 32.65 1bsh n LYS 22 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1bsh s ILE 23 N -1.93 5.44 0.08 3.15 2.07 -1.15 -0.30 121.20 128.56 1bsh s ILE 23 Ca 0.31 0.03 -0.12 0.00 -1.41 0.00 0.00 60.65 59.46 1bsh s ILE 23 Cb 0.03 -3.49 0.02 0.00 0.13 0.00 0.00 42.46 39.14 1bsh s ILE 23 CO -0.08 0.44 0.28 -1.58 -1.91 0.00 0.00 174.94 172.09 1bsh s GLN 24 N -1.57 0.89 0.06 3.50 0.74 -0.57 -1.22 119.66 121.50 1bsh s GLN 24 Ca 0.23 -0.74 0.05 0.00 0.05 0.00 0.00 55.36 54.94 1bsh s GLN 24 Cb -0.13 0.38 -0.03 0.00 1.10 0.00 0.00 33.01 34.34 1bsh s GLN 24 CO 0.13 -0.31 -0.14 0.54 -0.55 0.00 0.00 175.29 174.97 1bsh s VAL 25 N -3.42 1.06 -0.53 1.34 0.11 -1.26 -0.96 120.40 116.75 1bsh s VAL 25 Ca 0.01 -1.23 0.04 0.00 -2.93 0.00 0.00 61.98 57.87 1bsh s VAL 25 Cb 0.02 -1.02 0.13 0.00 -1.53 0.00 0.00 36.38 33.98 1bsh s VAL 25 CO -0.09 -0.20 0.28 -0.89 -3.33 0.00 0.00 175.10 170.87 1bsh s THR 26 N -1.21 2.55 0.00 5.04 2.01 -0.71 -3.77 115.64 119.56 1bsh s THR 26 Ca -0.02 -3.37 0.00 0.00 0.31 0.00 0.00 61.69 58.61 1bsh s THR 26 Cb -0.10 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1bsh s THR 26 CO 0.02 -0.82 0.00 0.61 -0.69 0.00 0.00 174.62 173.74 1bsh n GLY 27 N 3.03 0.19 0.00 4.40 0.00 -1.25 -2.71 105.19 108.85 1bsh n GLY 27 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bsh n SER 28 N -1.36 0.00 0.02 1.61 3.41 -1.26 -4.91 113.62 111.12 1bsh n SER 28 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.56 1bsh n SER 28 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 1bsh n SER 28 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1bsh h GLU 29 N 0.00 0.00 -3.77 4.33 5.08 -1.99 -3.39 114.58 114.84 1bsh h GLU 29 Ca 0.00 0.00 -0.76 0.00 -1.00 0.00 0.00 59.36 57.60 1bsh h GLU 29 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 1bsh h GLU 29 CO 0.00 0.54 1.67 0.41 -1.00 0.00 0.00 179.01 180.63 1bsh n GLY 30 N 1.45 4.43 1.81 -3.84 0.00 -1.26 -4.74 105.19 103.03 1bsh n GLY 30 Ca -0.10 -2.15 -0.16 0.00 0.00 0.00 0.00 46.02 43.61 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 4.02 1.83 -4.36 1.61 1.02 -1.26 -4.20 120.64 119.30 1bsh n GLU 31 Ca 0.37 -1.99 -0.19 0.00 -0.02 0.00 0.00 57.16 55.32 1bsh n GLU 31 Cb 0.38 -1.78 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 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 -2.18 2.14 0.00 -4.62 1.43 -1.25 -4.37 118.68 109.84 1bsh s LEU 32 Ca 0.38 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1bsh s LEU 32 Cb 0.32 -0.56 0.00 0.00 0.03 0.00 0.00 46.19 45.98 1bsh s LEU 32 CO 0.07 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.30 1bsh n GLY 33 N 2.07 -0.06 3.41 -3.19 0.00 -0.92 -4.11 105.19 102.39 1bsh n GLY 33 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.74 0.04 0.23 -0.61 -1.09 -0.36 -4.89 121.20 115.26 1bsh s ILE 34 Ca 0.00 -0.53 -0.22 0.00 -2.23 0.00 0.00 60.65 57.67 1bsh s ILE 34 Cb 0.00 -1.28 0.06 0.00 -1.58 0.00 0.00 42.46 39.66 1bsh s ILE 34 CO 0.00 -0.18 0.93 -0.72 -1.23 0.00 0.00 174.94 173.74 1bsh s TYR 35 N -3.82 -0.01 -0.16 3.97 1.13 -1.26 -2.92 117.35 114.28 1bsh s TYR 35 Ca 0.05 -0.43 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 1bsh s TYR 35 Cb 0.00 0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 41.55 1bsh s TYR 35 CO -0.09 -1.07 1.44 -1.25 -2.51 0.00 0.00 175.55 172.08 1bsh s PRO 36 N -2.73 4.11 0.00 -3.49 0.04 -1.26 -2.15 135.00 129.51 1bsh s PRO 36 Ca 0.16 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1bsh s PRO 36 Cb -0.03 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.62 1bsh s PRO 36 CO 0.06 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1bsh n GLY 37 N 4.02 0.75 0.40 0.56 0.00 -1.26 -4.81 105.19 104.84 1bsh n GLY 37 Ca 0.16 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.47 1bsh n GLY 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bsh n HIS 38 N -3.12 -3.63 -0.10 1.61 1.44 -0.91 -5.07 115.22 105.43 1bsh n HIS 38 Ca 0.00 -0.15 -0.07 0.00 -2.01 0.00 0.00 57.72 55.49 1bsh n HIS 38 Cb 0.40 -0.09 0.06 0.00 0.12 0.00 0.00 29.99 30.48 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bsh n ALA 39 N -3.03 -1.14 -1.64 1.59 0.00 -1.26 -4.98 120.51 110.03 1bsh n ALA 39 Ca -0.02 -0.33 -0.21 0.00 0.00 0.00 0.00 53.44 52.88 1bsh n ALA 39 Cb 0.06 -0.03 0.22 0.00 0.00 0.00 0.00 19.45 19.70 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 -2.08 -1.86 -0.87 0.00 -0.04 -1.26 -4.93 135.00 123.95 1bsh n PRO 40 Ca 0.03 -1.94 -0.17 0.00 -0.04 0.00 0.00 63.50 61.38 1bsh n PRO 40 Cb 0.13 -1.44 0.05 0.00 -0.04 0.00 0.00 33.50 32.21 1bsh n PRO 40 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1bsh n LEU 41 N 0.00 6.23 -3.58 1.53 -0.00 -1.26 -4.58 117.00 115.33 1bsh n LEU 41 Ca 0.16 -3.22 -0.14 0.00 -0.00 0.00 0.00 56.01 52.81 1bsh n LEU 41 Cb 0.57 -0.96 -0.12 0.00 -0.00 0.00 0.00 43.42 42.91 1bsh n LEU 41 CO 0.41 1.14 -0.13 -0.22 -0.00 0.00 0.00 177.39 178.60 1bsh s LEU 42 N -1.96 -0.33 0.00 1.47 2.96 -1.26 -2.79 118.68 116.76 1bsh s LEU 42 Ca 0.33 0.40 -0.10 0.00 -0.22 0.00 0.00 54.13 54.54 1bsh s LEU 42 Cb 0.27 0.74 0.03 0.00 0.50 0.00 0.00 46.19 47.73 1bsh s LEU 42 CO 0.01 -0.27 0.47 1.07 -1.32 0.00 0.00 176.35 176.31 1bsh n THR 43 N 5.35 0.00 -4.15 3.68 5.66 -1.09 -5.02 114.28 118.70 1bsh n THR 43 Ca -0.06 -0.08 -0.17 0.00 -3.05 0.00 0.00 64.05 60.69 1bsh n THR 43 Cb 0.50 0.23 -0.12 0.00 -1.55 0.00 0.00 70.33 69.39 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 44 N -1.38 1.07 -0.36 1.79 0.00 -1.26 -2.18 121.76 119.44 1bsh s ALA 44 Ca 0.11 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 1bsh s ALA 44 Cb -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.06 1bsh s ALA 44 CO 0.00 0.12 0.23 0.42 0.00 0.00 0.00 175.76 176.52 1bsh s ILE 45 N -1.41 4.93 1.23 0.00 1.09 -0.97 -4.86 121.20 121.21 1bsh s ILE 45 Ca -0.02 -0.55 -0.18 0.00 -1.10 0.00 0.00 60.65 58.80 1bsh s ILE 45 Cb -0.09 -3.64 0.30 0.00 -1.06 0.00 0.00 42.46 37.96 1bsh s ILE 45 CO 0.02 -0.13 1.03 -0.54 -0.10 0.00 0.00 174.94 175.21 1bsh s LYS 46 N 1.64 -1.47 0.31 2.79 3.01 -1.26 -3.91 119.74 120.85 1bsh s LYS 46 Ca 0.04 0.31 -0.27 0.00 -1.01 0.00 0.00 55.97 55.04 1bsh s LYS 46 Cb -0.18 -1.53 -0.09 0.00 -1.01 0.00 0.00 37.83 35.01 1bsh s LYS 46 CO 0.08 -3.95 1.01 -1.25 0.51 0.00 0.00 175.35 171.75 1bsh s PRO 47 N -4.99 4.55 0.00 -1.68 0.04 -1.26 -4.51 135.00 127.15 1bsh s PRO 47 Ca 0.69 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1bsh s PRO 47 Cb -0.16 -2.94 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1bsh s PRO 47 CO 0.59 0.20 0.00 0.41 0.04 0.00 0.00 177.00 178.24 1bsh n GLY 48 N 0.88 0.05 0.00 0.56 0.00 -1.14 -3.79 105.19 101.75 1bsh n GLY 48 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 1.52 -3.66 1.61 0.00 -1.10 -2.79 117.12 112.70 1bsh n MET 49 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.70 57.63 1bsh n MET 49 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.14 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 0.84 -0.28 -0.27 3.17 1.01 0.07 -1.73 121.20 124.00 1bsh s ILE 50 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.72 1bsh s ILE 50 Cb 0.00 -0.81 0.05 0.00 0.01 0.00 0.00 42.46 41.71 1bsh s ILE 50 CO 0.00 0.03 -0.07 -0.60 0.00 0.00 0.00 174.94 174.29 1bsh s ARG 51 N 1.94 2.36 0.39 2.79 3.52 -0.13 -1.73 118.95 128.09 1bsh s ARG 51 Ca -0.08 -1.29 0.08 0.00 -0.13 0.00 0.00 55.73 54.31 1bsh s ARG 51 Cb -0.08 -2.99 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 1bsh s ARG 51 CO -0.16 -0.57 0.03 0.42 -0.81 0.00 0.00 175.30 174.21 1bsh s ILE 52 N 1.17 2.18 -0.07 4.11 1.01 -0.83 -1.51 121.20 127.26 1bsh s ILE 52 Ca -0.07 -1.97 -0.01 0.00 0.00 0.00 0.00 60.65 58.60 1bsh s ILE 52 Cb -0.20 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.39 1bsh s ILE 52 CO -0.04 -0.06 -0.00 -0.69 0.00 0.00 0.00 174.94 174.15 1bsh s VAL 53 N -2.65 0.41 0.54 2.92 1.01 0.58 -2.73 120.40 120.49 1bsh s VAL 53 Ca 0.36 0.09 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 1bsh s VAL 53 Cb 0.06 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 1bsh s VAL 53 CO 0.19 0.26 1.27 -0.75 0.00 0.00 0.00 175.10 176.07 1bsh s LYS 54 N 1.86 3.22 0.05 2.72 2.20 -0.29 -2.52 119.74 126.97 1bsh s LYS 54 Ca 0.03 2.01 -0.23 0.00 -0.36 0.00 0.00 55.97 57.43 1bsh s LYS 54 Cb -0.12 -2.19 -0.15 0.00 -1.51 0.00 0.00 37.83 33.85 1bsh s LYS 54 CO -0.05 -1.06 1.51 0.37 -0.36 0.00 0.00 175.35 175.77 1bsh h GLN 55 N 1.42 0.11 0.25 4.03 -0.00 -1.78 -3.25 115.11 115.89 1bsh h GLN 55 Ca -0.50 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.12 1bsh h GLN 55 Cb 1.29 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.73 1bsh h GLN 55 CO 0.57 0.33 -0.39 1.25 0.00 0.00 0.00 178.83 180.59 1bsh h HIS 56 N -0.13 -1.10 0.00 3.99 2.76 -1.93 -3.46 115.15 115.29 1bsh h HIS 56 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 1bsh h HIS 56 Cb 0.27 0.45 0.00 0.00 1.55 0.00 0.00 27.41 29.68 1bsh h HIS 56 CO 0.01 -0.48 0.00 0.41 -1.30 0.00 0.00 177.93 176.57 1bsh n GLY 57 N -1.40 -1.35 3.86 5.26 0.00 -1.22 -5.18 105.19 105.15 1bsh n GLY 57 Ca -0.08 0.80 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 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 0.02 -0.10 1.61 3.76 -1.25 -4.95 115.29 114.39 1bsh s HIS 58 Ca 0.00 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.55 1bsh s HIS 58 Cb 0.00 0.65 0.05 0.00 1.11 0.00 0.00 32.58 34.38 1bsh s HIS 58 CO 0.00 -0.70 0.21 -1.21 -0.85 0.00 0.00 174.74 172.19 1bsh s GLU 59 N -2.31 0.16 -0.02 1.40 2.02 -1.26 -1.14 118.70 117.54 1bsh s GLU 59 Ca 0.21 0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1bsh s GLU 59 Cb -0.01 -0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.10 1bsh s GLU 59 CO 0.03 -0.19 -0.00 -1.21 0.02 0.00 0.00 175.26 173.91 1bsh s GLU 60 N 1.42 0.21 0.04 1.61 2.02 -1.10 -4.97 118.70 117.93 1bsh s GLU 60 Ca -0.07 0.04 0.07 0.00 0.02 0.00 0.00 54.97 55.03 1bsh s GLU 60 Cb -0.11 -0.35 -0.03 0.00 0.10 0.00 0.00 34.13 33.74 1bsh s GLU 60 CO -0.08 -0.08 -0.18 -0.59 0.02 0.00 0.00 175.26 174.35 1bsh s PHE 61 N 0.67 2.55 0.41 1.61 -0.71 -1.25 -1.97 117.98 119.30 1bsh s PHE 61 Ca -0.06 -0.26 0.05 0.00 -1.04 0.00 0.00 56.93 55.62 1bsh s PHE 61 Cb -0.09 -1.46 -0.06 0.00 -1.21 0.00 0.00 43.02 40.20 1bsh s PHE 61 CO -0.01 0.26 0.02 0.42 -1.34 0.00 0.00 175.22 174.56 1bsh s ILE 62 N -0.93 1.64 0.03 -4.49 1.09 -0.70 -3.75 121.20 114.08 1bsh s ILE 62 Ca 0.15 -2.00 -0.02 0.00 -1.10 0.00 0.00 60.65 57.67 1bsh s ILE 62 Cb -0.10 -2.78 -0.02 0.00 -1.06 0.00 0.00 42.46 38.50 1bsh s ILE 62 CO 0.05 0.00 0.02 -0.47 -0.10 0.00 0.00 174.94 174.44 1bsh s TYR 63 N -2.87 0.27 0.00 3.97 6.14 -1.26 -0.76 117.35 122.84 1bsh s TYR 63 Ca 0.29 -0.57 0.00 0.00 0.64 0.00 0.00 57.07 57.43 1bsh s TYR 63 Cb 0.08 -0.20 0.00 0.00 0.42 0.00 0.00 41.96 42.26 1bsh s TYR 63 CO 0.15 -0.27 0.00 1.47 0.64 0.00 0.00 175.55 177.54 1bsh n LEU 64 N 1.16 0.00 -0.60 6.97 -0.00 -1.12 -3.15 117.00 120.26 1bsh n LEU 64 Ca -0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 55.79 1bsh n LEU 64 Cb 0.57 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.98 1bsh n LEU 64 CO 0.22 0.00 0.25 -1.20 -0.00 0.00 0.00 177.39 176.66 1bsh n SER 65 N -0.24 -0.07 0.00 1.45 7.64 -1.24 -2.88 113.62 118.28 1bsh n SER 65 Ca 0.00 -1.37 0.00 0.00 1.01 0.00 0.00 58.87 58.51 1bsh n SER 65 Cb 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.02 3.60 0.00 0.23 0.00 -1.26 -4.45 105.19 103.33 1bsh n GLY 66 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.03 3.53 3.66 -0.02 0.00 -1.25 -2.73 105.19 107.35 1bsh n GLY 67 Ca 0.00 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.00 4.14 0.22 -0.61 1.09 -1.12 -2.30 121.20 120.62 1bsh s ILE 68 Ca 0.00 -0.35 0.11 0.00 -1.10 0.00 0.00 60.65 59.31 1bsh s ILE 68 Cb 0.00 -2.75 -0.05 0.00 -1.06 0.00 0.00 42.46 38.61 1bsh s ILE 68 CO 0.00 0.57 -0.21 -0.22 -0.10 0.00 0.00 174.94 174.98 1bsh s LEU 69 N -0.97 2.50 -0.12 2.97 0.20 -0.93 -1.74 118.68 120.61 1bsh s LEU 69 Ca 0.14 -0.94 -0.26 0.00 0.69 0.00 0.00 54.13 53.76 1bsh s LEU 69 Cb -0.11 -1.07 0.06 0.00 -0.43 0.00 0.00 46.19 44.64 1bsh s LEU 69 CO 0.03 0.05 0.63 -1.83 -0.29 0.00 0.00 176.35 174.95 1bsh s GLU 70 N -3.07 0.91 0.23 1.98 1.03 -0.71 -2.68 118.70 116.40 1bsh s GLU 70 Ca 0.24 0.44 0.06 0.00 0.03 0.00 0.00 54.97 55.74 1bsh s GLU 70 Cb -0.06 0.43 -0.03 0.00 -0.80 0.00 0.00 34.13 33.67 1bsh s GLU 70 CO 0.11 -0.23 0.26 0.08 -1.33 0.00 0.00 175.26 174.15 1bsh s VAL 71 N -0.66 4.81 0.05 1.83 1.01 -1.12 -1.63 120.40 124.69 1bsh s VAL 71 Ca -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1bsh s VAL 71 Cb -0.02 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.77 1bsh s VAL 71 CO 0.06 -0.31 0.01 0.00 0.00 0.00 0.00 175.10 174.86 1bsh n GLN 72 N -1.16 1.30 -0.52 2.72 6.02 -0.49 -4.65 117.38 120.60 1bsh n GLN 72 Ca -0.08 -0.42 -0.01 0.00 -0.01 0.00 0.00 57.00 56.48 1bsh n GLN 72 Cb 0.57 0.18 -0.01 0.00 1.02 0.00 0.00 30.24 32.00 1bsh n GLN 72 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1bsh n PRO 73 N -0.13 1.04 0.00 -1.09 -0.04 -1.26 -3.97 135.00 129.55 1bsh n PRO 73 Ca -0.01 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1bsh n PRO 73 Cb 0.07 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.57 0.00 0.00 0.55 0.00 -1.26 -5.12 105.19 100.93 1bsh n GLY 74 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.95 1.61 6.94 -1.25 -3.66 115.26 113.94 1bsh n ASN 75 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.32 1bsh n ASN 75 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1bsh n ASN 75 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1bsh s VAL 76 N -0.40 5.28 -0.20 3.53 1.01 -0.02 -1.40 120.40 128.21 1bsh s VAL 76 Ca 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 1bsh s VAL 76 Cb 0.00 -3.80 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1bsh s VAL 76 CO 0.00 -0.21 0.51 -0.89 0.00 0.00 0.00 175.10 174.51 1bsh s THR 77 N -1.87 -0.01 -0.01 3.92 2.01 -0.65 -1.34 115.64 117.70 1bsh s THR 77 Ca 0.35 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1bsh s THR 77 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1bsh s THR 77 CO 0.29 0.01 0.04 0.54 -0.69 0.00 0.00 174.62 174.81 1bsh s VAL 78 N 0.63 0.02 -0.35 3.82 0.11 -0.98 -1.73 120.40 121.92 1bsh s VAL 78 Ca -0.03 -0.15 -0.05 0.00 -2.93 0.00 0.00 61.98 58.83 1bsh s VAL 78 Cb -0.05 -0.12 0.06 0.00 -1.53 0.00 0.00 36.38 34.75 1bsh s VAL 78 CO -0.04 -0.08 0.11 -0.76 -3.33 0.00 0.00 175.10 171.00 1bsh s LEU 79 N -0.23 4.46 0.29 2.54 1.43 -0.71 -2.62 118.68 123.85 1bsh s LEU 79 Ca -0.03 -1.37 0.06 0.00 -1.03 0.00 0.00 54.13 51.77 1bsh s LEU 79 Cb -0.02 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1bsh s LEU 79 CO 0.00 -0.37 0.35 0.00 0.23 0.00 0.00 176.35 176.56 1bsh s ALA 80 N 1.32 3.95 -0.21 4.21 0.00 -1.13 -2.81 121.76 127.09 1bsh s ALA 80 Ca -0.00 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 1bsh s ALA 80 Cb -0.21 -1.53 -0.19 0.00 0.00 0.00 0.00 23.12 21.19 1bsh s ALA 80 CO 0.00 0.11 0.09 -0.40 0.00 0.00 0.00 175.76 175.57 1bsh n ASP 81 N -1.43 1.95 -4.80 0.00 5.75 -1.11 -4.21 116.55 112.71 1bsh n ASP 81 Ca -0.05 0.31 -0.36 0.00 -0.01 0.00 0.00 54.79 54.69 1bsh n ASP 81 Cb 0.58 -0.87 -0.07 0.00 -1.03 0.00 0.00 41.12 39.73 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1bsh s THR 82 N -2.45 5.33 -0.16 2.12 2.01 -1.26 -4.66 115.64 116.57 1bsh s THR 82 Ca -0.30 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 1bsh s THR 82 Cb 0.08 -3.36 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1bsh s THR 82 CO 0.61 0.55 0.40 0.00 -0.69 0.00 0.00 174.62 175.49 1bsh s ALA 83 N -0.47 -1.01 -0.10 7.40 0.00 -1.26 -3.62 121.76 122.70 1bsh s ALA 83 Ca 0.12 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.45 1bsh s ALA 83 Cb -0.12 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1bsh s ALA 83 CO 0.02 -0.23 -0.07 -0.89 0.00 0.00 0.00 175.76 174.59 1bsh n ILE 84 N 3.68 0.60 -1.68 0.00 -0.00 -1.19 -4.99 119.36 115.79 1bsh n ILE 84 Ca -0.19 -0.26 -0.01 0.00 -0.00 0.00 0.00 62.75 62.30 1bsh n ILE 84 Cb 0.56 -0.86 0.00 0.00 -0.00 0.00 0.00 39.64 39.35 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 -2.71 -0.40 0.00 0.38 0.63 -1.26 -3.79 116.66 109.51 1bsh n ARG 85 Ca -0.18 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.52 1bsh n ARG 85 Cb 0.71 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.77 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1bsh n GLY 86 N -0.20 1.89 2.82 5.14 0.00 -1.25 -1.09 105.19 112.51 1bsh n GLY 86 Ca 0.01 0.54 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 1bsh n GLY 86 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1bsh n GLN 87 N 2.26 3.32 0.02 1.61 7.27 -1.26 -4.50 117.38 126.10 1bsh n GLN 87 Ca 0.00 -4.81 0.13 0.00 0.07 0.00 0.00 57.00 52.39 1bsh n GLN 87 Cb 0.00 -2.27 0.36 0.00 2.41 0.00 0.00 30.24 30.75 1bsh n GLN 87 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1bsh n ASP 88 N 0.01 0.41 -3.76 1.69 -0.08 -0.25 -4.85 116.55 109.72 1bsh n ASP 88 Ca 0.32 0.12 -0.13 0.00 -1.51 0.00 0.00 54.79 53.59 1bsh n ASP 88 Cb 0.38 -0.09 -0.10 0.00 2.34 0.00 0.00 41.12 43.66 1bsh n ASP 88 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1bsh s LEU 89 N -3.35 0.81 0.34 -2.67 2.96 -1.26 -5.10 118.68 110.40 1bsh s LEU 89 Ca 0.11 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 1bsh s LEU 89 Cb 0.17 1.18 0.00 0.00 0.50 0.00 0.00 46.19 48.04 1bsh s LEU 89 CO 0.64 -0.27 0.00 0.47 -1.32 0.00 0.00 176.35 175.87 1bsh n ASP 90 N 2.14 -6.28 0.00 3.68 8.00 -1.26 -5.03 116.55 117.80 1bsh n ASP 90 Ca -0.17 0.71 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1bsh n ASP 90 Cb 0.57 -3.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1bsh n ASP 90 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1bsh n GLU 91 N -3.61 0.00 0.11 -1.24 2.13 -1.26 -4.93 120.64 111.84 1bsh n GLU 91 Ca -0.02 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.93 1bsh n GLU 91 Cb 0.63 0.00 0.40 0.00 0.27 0.00 0.00 31.44 32.74 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bsh n ALA 92 N -0.84 2.26 1.20 4.31 0.00 -1.26 -2.85 120.51 123.33 1bsh n ALA 92 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.55 1bsh n ALA 92 Cb 0.00 -1.47 0.65 0.00 0.00 0.00 0.00 19.45 18.63 1bsh n ALA 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bsh n ARG 93 N -2.29 0.34 0.01 0.00 5.12 -1.26 -2.83 116.66 115.75 1bsh n ARG 93 Ca 0.05 0.04 -0.03 0.00 -1.93 0.00 0.00 57.85 55.98 1bsh n ARG 93 Cb 0.43 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 30.12 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1bsh n ALA 94 N -1.30 1.77 -0.18 7.54 0.00 -1.13 -3.71 120.51 123.50 1bsh n ALA 94 Ca 0.12 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.83 1bsh n ALA 94 Cb 0.21 -0.92 0.01 0.00 0.00 0.00 0.00 19.45 18.75 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 0.99 -0.19 0.00 2.86 -1.68 -1.92 114.93 115.00 1bsh h MET 95 Ca -0.21 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 56.99 1bsh h MET 95 Cb 1.75 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.33 1bsh h MET 95 CO 0.06 1.05 -0.21 1.49 1.06 0.00 0.00 176.91 180.35 1bsh h GLU 96 N 0.86 0.34 -0.35 1.72 4.22 -1.70 -2.71 114.58 116.97 1bsh h GLU 96 Ca 0.14 -0.11 -0.17 0.00 0.08 0.00 0.00 59.36 59.30 1bsh h GLU 96 Cb 0.67 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1bsh h GLU 96 CO 0.05 0.54 -0.44 0.00 -2.18 0.00 0.00 179.01 176.98 1bsh h ALA 97 N 1.47 0.56 0.00 2.92 0.00 -1.57 -2.41 119.26 120.24 1bsh h ALA 97 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1bsh h ALA 97 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1bsh h ALA 97 CO 0.04 0.68 0.00 1.17 0.00 0.00 0.00 179.25 181.14 1bsh n LYS 98 N -4.04 0.14 -0.09 0.00 0.00 -0.75 -1.49 118.16 111.93 1bsh n LYS 98 Ca -0.03 0.58 -0.16 0.00 0.00 0.00 0.00 58.31 58.70 1bsh n LYS 98 Cb 0.57 -1.90 -0.09 0.00 0.00 0.00 0.00 35.03 33.61 1bsh n LYS 98 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1bsh h ARG 99 N 0.00 0.00 0.00 1.64 1.12 -1.33 -3.22 114.38 112.59 1bsh h ARG 99 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 1bsh h ARG 99 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.05 1bsh h ARG 99 CO 0.00 0.70 0.00 1.57 -3.11 0.00 0.00 179.97 179.13 1bsh h LYS 100 N -1.00 0.00 0.00 0.20 2.10 -1.25 -1.60 116.57 115.02 1bsh h LYS 100 Ca -0.22 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.23 1bsh h LYS 100 Cb 1.02 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 1bsh h LYS 100 CO -0.13 0.00 -1.18 0.00 -2.00 0.00 0.00 179.45 176.14 1bsh h ALA 101 N 2.13 0.58 0.00 0.07 0.00 -1.39 -3.35 119.26 117.30 1bsh h ALA 101 Ca 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 1bsh h ALA 101 Cb 0.20 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1bsh h ALA 101 CO 0.00 1.17 -0.15 1.49 0.00 0.00 0.00 179.25 181.76 1bsh h GLU 102 N 0.00 0.10 -1.41 0.00 4.81 -1.30 -3.16 114.58 113.60 1bsh h GLU 102 Ca -0.11 -0.11 0.41 0.00 -0.13 0.00 0.00 59.36 59.42 1bsh h GLU 102 Cb 1.74 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.09 1bsh h GLU 102 CO 0.09 0.89 1.04 1.49 -0.73 0.00 0.00 179.01 181.79 1bsh h GLU 103 N -0.65 0.00 0.30 1.92 4.81 -1.64 0.87 114.58 120.19 1bsh h GLU 103 Ca -0.02 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1bsh h GLU 103 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1bsh h GLU 103 CO 0.03 0.00 -0.14 0.45 -0.73 0.00 0.00 179.01 178.61 1bsh h HIS 104 N 0.00 -0.38 -0.23 0.92 3.86 -1.67 -3.15 115.15 114.49 1bsh h HIS 104 Ca 0.67 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.87 1bsh h HIS 104 Cb 2.74 0.12 0.00 0.00 1.06 0.00 0.00 27.41 31.34 1bsh h HIS 104 CO 0.00 -0.05 0.00 -0.89 0.86 0.00 0.00 177.93 177.85 1bsh n ILE 105 N -5.06 0.82 -1.86 2.45 5.41 0.18 -4.80 119.36 116.50 1bsh n ILE 105 Ca -0.08 -0.47 -0.23 0.00 1.00 0.00 0.00 62.75 62.97 1bsh n ILE 105 Cb 0.25 -0.23 -0.05 0.00 -0.71 0.00 0.00 39.64 38.89 1bsh n ILE 105 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1bsh s SER 106 N -0.51 4.68 0.25 4.38 0.15 0.28 -4.59 113.70 118.34 1bsh s SER 106 Ca 0.20 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.58 1bsh s SER 106 Cb 0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1bsh s SER 106 CO 0.08 -3.13 0.00 -0.24 1.20 0.00 0.00 173.24 171.15 1bsh n SER 107 N 15.64 -4.24 0.00 5.45 2.88 -1.26 -5.02 113.62 127.07 1bsh n SER 107 Ca 0.41 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 1bsh n SER 107 Cb 0.46 -1.67 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1bsh n SER 107 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bsh n SER 108 N -1.29 0.00 -4.01 -3.46 2.88 -1.26 -5.08 113.62 101.40 1bsh n SER 108 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 1bsh n SER 108 Cb 0.07 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.37 1bsh n SER 108 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1bsh s HIS 109 N -2.00 1.21 0.00 0.66 2.46 -1.26 -5.10 115.29 111.26 1bsh s HIS 109 Ca 0.00 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1bsh s HIS 109 Cb 0.00 -0.89 0.00 0.00 -0.13 0.00 0.00 32.58 31.56 1bsh s HIS 109 CO 0.00 -0.20 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 1bsh n GLY 110 N 3.63 2.66 0.11 1.59 0.00 -1.26 -4.81 105.19 107.11 1bsh n GLY 110 Ca -0.22 -1.13 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 1bsh n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bsh n ASP 111 N 0.00 1.92 0.00 1.61 9.92 -1.26 -4.71 116.55 124.03 1bsh n ASP 111 Ca 0.00 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.64 1bsh n ASP 111 Cb 0.00 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1bsh n VAL 112 N -4.39 0.00 0.00 2.53 0.24 -1.26 -4.44 118.33 111.01 1bsh n VAL 112 Ca -0.33 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1bsh n VAL 112 Cb 0.67 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 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 -1.22 0.00 0.08 -1.34 9.92 -1.26 -1.19 116.55 121.53 1bsh n ASP 113 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1bsh n ASP 113 Cb 0.00 0.00 0.46 0.00 -0.64 0.00 0.00 41.12 40.94 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 0.58 1.00 1.24 9.36 -1.26 -2.54 117.16 125.53 1bsh n TYR 114 Ca 0.00 0.19 0.10 0.00 3.32 0.00 0.00 57.90 61.51 1bsh n TYR 114 Cb 0.00 -0.81 0.52 0.00 -0.63 0.00 0.00 39.34 38.42 1bsh n TYR 114 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bsh n ALA 115 N -1.68 2.09 0.02 2.98 0.00 -1.20 -2.66 120.51 120.06 1bsh n ALA 115 Ca 0.05 -0.10 -0.09 0.00 0.00 0.00 0.00 53.44 53.29 1bsh n ALA 115 Cb 0.32 -1.33 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 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 0.00 0.04 0.00 0.00 4.15 -0.86 -3.27 115.11 115.17 1bsh h GLN 116 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1bsh h GLN 116 Cb 0.17 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1bsh h GLN 116 CO 0.00 0.79 0.00 0.00 -1.93 0.00 0.00 178.83 177.69 1bsh h ALA 117 N 0.92 1.00 0.00 3.38 0.00 -1.71 -2.82 119.26 120.03 1bsh h ALA 117 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1bsh h ALA 117 Cb 1.92 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1bsh h ALA 117 CO 0.11 0.00 -0.10 1.03 0.00 0.00 0.00 179.25 180.29 1bsh h SER 118 N 0.00 0.00 0.92 0.00 0.87 -1.66 -2.12 113.55 111.56 1bsh h SER 118 Ca 0.00 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.37 1bsh h SER 118 Cb 0.57 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1bsh h SER 118 CO 0.00 0.10 -1.16 0.00 -0.53 0.00 0.00 176.83 175.24 1bsh h ALA 119 N 1.90 0.62 0.00 6.23 0.00 -1.67 -3.09 119.26 123.24 1bsh h ALA 119 Ca -0.00 -0.89 -0.18 0.00 0.00 0.00 0.00 54.91 53.84 1bsh h ALA 119 Cb 0.58 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1bsh h ALA 119 CO 0.01 1.06 -0.92 0.93 0.00 0.00 0.00 179.25 180.33 1bsh h GLU 120 N 0.00 0.00 0.17 0.00 4.39 -1.57 -3.28 114.58 114.28 1bsh h GLU 120 Ca -0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1bsh h GLU 120 Cb 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 1bsh h GLU 120 CO 0.08 0.71 -0.08 1.25 -1.16 0.00 0.00 179.01 179.81 1bsh h LEU 121 N 0.00 -0.19 -1.43 1.33 7.12 -1.49 -3.19 115.31 117.46 1bsh h LEU 121 Ca -0.05 -0.11 0.21 0.00 0.13 0.00 0.00 57.88 58.06 1bsh h LEU 121 Cb 1.64 0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 41.79 1bsh h LEU 121 CO 0.09 0.33 0.87 0.00 -0.13 0.00 0.00 178.44 179.61 1bsh h ALA 122 N -0.89 2.54 0.02 1.25 0.00 -1.69 0.26 119.26 120.75 1bsh h ALA 122 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bsh h ALA 122 Cb 0.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bsh h ALA 122 CO 0.04 -1.25 -0.01 0.87 0.00 0.00 0.00 179.25 178.90 1bsh h LYS 123 N 0.00 -0.03 -0.12 0.00 1.57 -1.61 -3.11 116.57 113.27 1bsh h LYS 123 Ca 0.34 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.99 1bsh h LYS 123 Cb 2.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 34.39 1bsh h LYS 123 CO -0.00 0.30 -0.51 0.00 -0.57 0.00 0.00 179.45 178.66 1bsh h ALA 124 N 0.60 0.91 0.00 3.86 0.00 -0.58 -2.68 119.26 121.37 1bsh h ALA 124 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1bsh h ALA 124 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bsh h ALA 124 CO 0.01 0.67 0.00 -0.89 0.00 0.00 0.00 179.25 179.04 1bsh n ILE 125 N -3.95 1.10 -0.04 0.00 2.08 -0.73 -1.94 119.36 115.88 1bsh n ILE 125 Ca -0.02 0.73 -0.13 0.00 0.56 0.00 0.00 62.75 63.88 1bsh n ILE 125 Cb 0.56 -1.73 -0.08 0.00 -0.75 0.00 0.00 39.64 37.65 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 2.00 0.17 0.00 -1.39 0.00 -1.41 -2.90 119.26 115.73 1bsh h ALA 126 Ca 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1bsh h ALA 126 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1bsh h ALA 126 CO 0.00 0.00 -0.21 0.37 0.00 0.00 0.00 179.25 179.41 1bsh h GLN 127 N -0.12 0.00 0.00 0.00 -0.00 -1.56 -2.77 115.11 110.66 1bsh h GLN 127 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1bsh h GLN 127 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.09 1bsh h GLN 127 CO 0.03 0.21 0.00 -0.11 0.00 0.00 0.00 178.83 178.96 1bsh n LEU 128 N -3.28 0.56 -0.08 -2.39 0.00 -1.10 -2.60 117.00 108.11 1bsh n LEU 128 Ca 0.01 0.59 -0.21 0.00 0.00 0.00 0.00 56.01 56.40 1bsh n LEU 128 Cb 0.48 -0.46 -0.12 0.00 0.00 0.00 0.00 43.42 43.31 1bsh n LEU 128 CO 0.34 -0.31 -0.47 -0.09 0.00 0.00 0.00 177.39 176.85 1bsh h ARG 129 N 0.00 0.06 -0.73 1.96 2.43 -1.29 -3.31 114.38 113.50 1bsh h ARG 129 Ca 0.00 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1bsh h ARG 129 Cb 0.51 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1bsh h ARG 129 CO 0.00 1.05 0.31 -0.39 -1.51 0.00 0.00 179.97 179.43 1bsh h VAL 130 N -0.80 1.24 0.00 0.20 -1.51 -1.59 -0.85 116.25 112.94 1bsh h VAL 130 Ca -0.33 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1bsh h VAL 130 Cb 1.41 0.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1bsh h VAL 130 CO -0.13 0.30 0.00 -0.29 -1.23 0.00 0.00 177.57 176.22 1bsh h ILE 131 N 1.05 0.00 0.00 7.19 -0.00 -1.67 -1.14 117.51 122.94 1bsh h ILE 131 Ca 0.25 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.92 1bsh h ILE 131 Cb 0.17 1.03 0.00 0.00 -0.00 0.00 0.00 36.82 38.02 1bsh h ILE 131 CO -0.03 0.00 -0.21 -0.08 -0.00 0.00 0.00 178.15 177.84 1bsh h GLU 132 N 0.00 0.00 0.00 2.19 4.22 -1.23 -3.26 114.58 116.50 1bsh h GLU 132 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.30 1bsh h GLU 132 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1bsh h GLU 132 CO 0.00 0.00 -1.34 1.47 -2.18 0.00 0.00 179.01 176.96 1bsh n LEU 133 N -2.78 0.86 0.00 1.64 -0.00 -0.45 -3.69 117.00 112.59 1bsh n LEU 133 Ca 0.04 0.37 0.07 0.00 -0.00 0.00 0.00 56.01 56.49 1bsh n LEU 133 Cb 0.50 0.05 0.37 0.00 -0.00 0.00 0.00 43.42 44.35 1bsh n LEU 133 CO 0.34 0.09 0.70 1.07 -0.00 0.00 0.00 177.39 179.59 1bsh n THR 134 N -2.86 0.57 0.30 1.47 5.66 -1.12 -3.07 114.28 115.23 1bsh n THR 134 Ca -0.08 0.14 0.16 0.00 -3.05 0.00 0.00 64.05 61.22 1bsh n THR 134 Cb 0.79 -0.90 0.80 0.00 -1.55 0.00 0.00 70.33 69.47 1bsh n THR 134 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1bsh h LYS 135 N 0.00 0.00 0.00 1.09 2.10 -1.70 0.86 116.57 118.91 1bsh h LYS 135 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1bsh h LYS 135 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1bsh h LYS 135 CO 0.00 0.00 -0.58 1.63 -2.00 0.00 0.00 179.45 178.50 1bsh n LYS 136 N -3.02 3.57 -0.26 0.07 5.02 -1.18 -4.69 118.16 117.67 1bsh n LYS 136 Ca -0.00 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1bsh n LYS 136 Cb 0.42 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh h ALA 137 N 0.84 -0.44 0.00 7.82 0.00 -0.96 -3.54 119.26 122.97 1bsh h ALA 137 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1bsh h ALA 137 Cb 0.20 1.12 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1bsh h ALA 137 CO 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 179.25 178.35