#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 -2.17 -2.03 0.00 0.00 -1.26 -5.00 117.12 106.65 1bsh n MET 2 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 57.70 59.37 1bsh n MET 2 Cb 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 33.22 30.64 1bsh n MET 2 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1bsh n THR 3 N -3.70 -9.82 -2.34 2.03 -2.24 -1.26 -4.96 114.28 91.99 1bsh n THR 3 Ca -0.04 2.45 0.00 0.00 -2.27 0.00 0.00 64.05 64.19 1bsh n THR 3 Cb 0.46 -4.31 0.00 0.00 -2.10 0.00 0.00 70.33 64.38 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh n TYR 4 N 1.86 0.00 -4.43 4.78 4.11 0.29 -4.89 117.16 118.89 1bsh n TYR 4 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.69 1bsh n TYR 4 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.20 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 0.94 1.27 0.13 -3.48 5.65 0.81 -1.57 115.29 119.05 1bsh s HIS 5 Ca 0.00 -0.33 -0.00 0.00 0.25 0.00 0.00 55.06 54.98 1bsh s HIS 5 Cb 0.00 -0.77 -0.04 0.00 -1.18 0.00 0.00 32.58 30.59 1bsh s HIS 5 CO 0.00 0.03 0.02 -0.48 -0.65 0.00 0.00 174.74 173.66 1bsh s LEU 6 N -0.98 2.00 -0.35 8.88 0.05 -1.14 -0.74 118.68 126.40 1bsh s LEU 6 Ca 0.03 -1.16 0.07 0.00 0.05 0.00 0.00 54.13 53.11 1bsh s LEU 6 Cb -0.07 0.16 0.19 0.00 -2.05 0.00 0.00 46.19 44.42 1bsh s LEU 6 CO 0.01 -0.65 0.61 -0.62 -0.55 0.00 0.00 176.35 175.15 1bsh s ASP 7 N -3.07 -1.59 0.03 1.48 -1.08 0.36 -2.91 116.67 109.89 1bsh s ASP 7 Ca 0.21 -0.33 0.01 0.00 -0.52 0.00 0.00 52.55 51.93 1bsh s ASP 7 Cb 0.07 2.00 -0.04 0.00 -1.46 0.00 0.00 42.92 43.49 1bsh s ASP 7 CO 0.01 -0.23 0.09 0.68 0.52 0.00 0.00 175.17 176.24 1bsh s VAL 8 N 2.31 4.72 0.36 1.11 -7.23 -0.44 -1.32 120.40 119.92 1bsh s VAL 8 Ca 0.13 -0.52 -0.10 0.00 -1.81 0.00 0.00 61.98 59.68 1bsh s VAL 8 Cb -0.07 -3.21 0.03 0.00 0.56 0.00 0.00 36.38 33.69 1bsh s VAL 8 CO -0.16 0.26 0.65 -0.69 -0.31 0.00 0.00 175.10 174.85 1bsh s VAL 9 N -1.28 0.00 0.00 1.32 1.01 -0.70 -3.40 120.40 117.35 1bsh s VAL 9 Ca 0.26 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1bsh s VAL 9 Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.54 1bsh s VAL 9 CO 0.18 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.74 1bsh n SER 10 N -1.34 0.14 -0.27 3.32 3.41 -1.26 -1.61 113.62 116.02 1bsh n SER 10 Ca -0.04 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1bsh n SER 10 Cb 0.61 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.63 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsh h ALA 11 N 1.00 0.36 0.00 7.33 0.00 -1.59 -3.38 119.26 122.98 1bsh h ALA 11 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1bsh h ALA 11 Cb 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 17.79 18.33 1bsh h ALA 11 CO 0.00 -0.49 -0.24 -0.85 0.00 0.00 0.00 179.25 177.68 1bsh n GLU 12 N -5.49 0.49 -3.78 0.00 0.28 -1.26 -5.10 120.64 105.78 1bsh n GLU 12 Ca 0.09 -1.24 -0.13 0.00 -0.16 0.00 0.00 57.16 55.72 1bsh n GLU 12 Cb 0.39 -0.76 -0.12 0.00 1.43 0.00 0.00 31.44 32.38 1bsh n GLU 12 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1bsh s GLN 13 N 0.32 0.29 0.07 3.44 -0.21 -1.26 -5.13 119.66 117.18 1bsh s GLN 13 Ca 0.26 0.36 -0.30 0.00 0.02 0.00 0.00 55.36 55.71 1bsh s GLN 13 Cb 0.24 0.13 -0.05 0.00 1.00 0.00 0.00 33.01 34.33 1bsh s GLN 13 CO -0.15 -0.04 1.04 -0.65 -2.12 0.00 0.00 175.29 173.36 1bsh s GLN 14 N 0.20 4.58 0.00 2.91 -1.52 -1.26 -4.04 119.66 120.53 1bsh s GLN 14 Ca -0.01 1.54 0.00 0.00 -1.95 0.00 0.00 55.36 54.95 1bsh s GLN 14 Cb -0.02 -3.39 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 1bsh s GLN 14 CO -0.00 -0.00 0.00 -1.33 -0.25 0.00 0.00 175.29 173.70 1bsh n MET 15 N 3.39 0.00 -3.44 2.91 2.81 -1.26 -5.02 117.12 116.51 1bsh n MET 15 Ca 0.05 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.85 1bsh n MET 15 Cb 0.49 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.91 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 -0.71 -0.81 -0.34 2.03 5.36 -1.22 -5.02 117.98 117.28 1bsh s PHE 16 Ca 0.00 1.02 -0.00 0.00 -0.96 0.00 0.00 56.93 56.98 1bsh s PHE 16 Cb 0.00 0.09 0.13 0.00 -0.34 0.00 0.00 43.02 42.91 1bsh s PHE 16 CO 0.00 -0.65 0.22 -1.54 -1.46 0.00 0.00 175.22 171.80 1bsh s SER 17 N 2.56 2.72 0.00 6.13 1.04 -1.26 -1.33 113.70 123.56 1bsh s SER 17 Ca 0.09 -1.80 0.00 0.00 0.48 0.00 0.00 55.95 54.71 1bsh s SER 17 Cb -0.14 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1bsh s SER 17 CO -0.15 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1bsh n GLY 18 N 4.42 -0.61 3.52 7.32 0.00 -1.15 -5.04 105.19 113.65 1bsh n GLY 18 Ca 0.07 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 0.28 0.00 0.99 1.43 -1.26 -2.86 118.68 117.26 1bsh s LEU 19 Ca 0.00 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1bsh s LEU 19 Cb 0.00 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.76 1bsh s LEU 19 CO 0.00 -4.40 0.00 0.55 0.23 0.00 0.00 176.35 172.73 1bsh n VAL 20 N -4.97 0.00 0.00 -1.59 3.14 -0.61 -4.55 118.33 109.75 1bsh n VAL 20 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1bsh n VAL 20 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 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 -0.14 0.00 -3.86 1.45 0.00 -0.33 -0.55 120.64 117.21 1bsh n GLU 21 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.80 1bsh n GLU 21 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.31 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1bsh s LYS 22 N -0.86 2.86 -0.00 5.31 2.36 -1.14 -4.47 119.74 123.79 1bsh s LYS 22 Ca 0.00 -0.99 0.06 0.00 -2.55 0.00 0.00 55.97 52.49 1bsh s LYS 22 Cb 0.00 -3.20 -0.02 0.00 -1.05 0.00 0.00 37.83 33.56 1bsh s LYS 22 CO 0.00 -0.47 -0.19 0.96 1.55 0.00 0.00 175.35 177.20 1bsh s ILE 23 N 1.39 1.51 -0.09 5.43 -4.36 -1.14 0.20 121.20 124.14 1bsh s ILE 23 Ca 0.00 -0.88 -0.04 0.00 -0.26 0.00 0.00 60.65 59.47 1bsh s ILE 23 Cb -0.17 -1.27 0.04 0.00 1.25 0.00 0.00 42.46 42.31 1bsh s ILE 23 CO -0.01 0.37 0.21 0.00 0.24 0.00 0.00 174.94 175.76 1bsh s GLN 24 N -0.59 0.17 -0.16 0.37 -2.07 -0.61 -1.32 119.66 115.43 1bsh s GLN 24 Ca 0.07 0.48 -0.03 0.00 -1.82 0.00 0.00 55.36 54.06 1bsh s GLN 24 Cb -0.08 -0.14 -0.02 0.00 -1.09 0.00 0.00 33.01 31.68 1bsh s GLN 24 CO -0.00 -0.17 -0.05 0.08 -1.32 0.00 0.00 175.29 173.83 1bsh s VAL 25 N 1.27 3.74 -0.26 3.63 1.01 -1.25 -2.21 120.40 126.34 1bsh s VAL 25 Ca -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1bsh s VAL 25 Cb -0.11 -2.64 0.01 0.00 0.00 0.00 0.00 36.38 33.64 1bsh s VAL 25 CO -0.08 0.48 -0.00 -0.89 0.00 0.00 0.00 175.10 174.61 1bsh s THR 26 N 0.54 3.42 0.00 3.92 2.01 -0.65 -3.58 115.64 121.30 1bsh s THR 26 Ca -0.04 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1bsh s THR 26 Cb -0.14 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.67 1bsh s THR 26 CO 0.03 0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1bsh n GLY 27 N 4.78 4.65 3.67 4.40 0.00 -1.11 -2.61 105.19 118.97 1bsh n GLY 27 Ca -0.16 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 1bsh n GLY 27 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bsh s SER 28 N 1.48 7.07 0.60 1.61 1.04 -1.26 -4.76 113.70 119.48 1bsh s SER 28 Ca 0.00 1.62 0.00 0.00 0.48 0.00 0.00 55.95 58.05 1bsh s SER 28 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1bsh s SER 28 CO 0.00 -0.62 0.00 1.21 0.98 0.00 0.00 173.24 174.81 1bsh n GLU 29 N 5.80 -4.46 0.00 4.02 4.07 -1.26 -4.91 120.64 123.90 1bsh n GLU 29 Ca 0.12 3.42 0.00 0.00 -0.06 0.00 0.00 57.16 60.63 1bsh n GLU 29 Cb 0.46 -4.14 0.00 0.00 -0.06 0.00 0.00 31.44 27.70 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1bsh n GLY 30 N -2.13 -1.98 2.46 8.31 0.00 -1.26 -4.97 105.19 105.62 1bsh n GLY 30 Ca 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.42 0.54 -3.75 1.61 0.00 -1.26 -4.58 120.64 110.78 1bsh n GLU 31 Ca 0.00 -0.90 -0.13 0.00 0.00 0.00 0.00 57.16 56.13 1bsh n GLU 31 Cb 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 31.44 31.40 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1bsh s LEU 32 N -2.28 0.71 0.00 4.31 1.43 -1.23 -4.86 118.68 116.75 1bsh s LEU 32 Ca 0.08 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1bsh s LEU 32 Cb 0.18 1.32 0.00 0.00 0.03 0.00 0.00 46.19 47.72 1bsh s LEU 32 CO -0.04 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.79 1bsh n GLY 33 N 1.77 -0.05 3.42 -3.19 0.00 -1.14 -3.83 105.19 102.17 1bsh n GLY 33 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.67 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 0.93 0.02 0.29 -0.61 -1.09 -0.44 -4.85 121.20 115.45 1bsh s ILE 34 Ca 0.00 -0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1bsh s ILE 34 Cb 0.00 -0.90 -0.01 0.00 -1.58 0.00 0.00 42.46 39.98 1bsh s ILE 34 CO 0.00 -0.10 0.43 -0.72 -1.23 0.00 0.00 174.94 173.32 1bsh s TYR 35 N -1.52 0.79 -1.18 3.97 1.13 -1.26 -2.88 117.35 116.40 1bsh s TYR 35 Ca -0.10 -1.08 -0.22 0.00 -1.41 0.00 0.00 57.07 54.26 1bsh s TYR 35 Cb -0.01 -0.04 -0.03 0.00 -1.10 0.00 0.00 41.96 40.78 1bsh s TYR 35 CO 0.06 -1.01 1.85 -1.25 -2.51 0.00 0.00 175.55 172.69 1bsh s PRO 36 N -3.58 2.99 0.00 -3.49 0.04 -1.26 -2.32 135.00 127.37 1bsh s PRO 36 Ca 0.28 -1.31 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1bsh s PRO 36 Cb 0.01 -5.32 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1bsh s PRO 36 CO 0.15 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.26 1bsh n GLY 37 N 5.87 0.40 3.25 0.56 0.00 -1.26 -4.75 105.19 109.26 1bsh n GLY 37 Ca 0.45 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.99 -1.78 1.61 -0.00 -0.98 -4.94 115.22 107.14 1bsh n HIS 38 Ca 0.00 0.21 -0.29 0.00 0.46 0.00 0.00 57.72 58.10 1bsh n HIS 38 Cb 0.00 -1.60 0.11 0.00 -0.12 0.00 0.00 29.99 28.38 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh s ALA 39 N -2.23 2.32 -1.26 1.57 0.00 -1.26 -4.91 121.76 115.99 1bsh s ALA 39 Ca 0.51 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 1bsh s ALA 39 Cb -0.13 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 1bsh s ALA 39 CO 0.69 -1.95 2.00 -0.35 0.00 0.00 0.00 175.76 176.16 1bsh n PRO 40 N -3.51 2.57 -1.77 0.00 -0.04 -1.26 -4.87 135.00 126.12 1bsh n PRO 40 Ca 0.08 -2.64 -0.31 0.00 -0.04 0.00 0.00 63.50 60.59 1bsh n PRO 40 Cb 0.60 -3.33 0.04 0.00 -0.04 0.00 0.00 33.50 30.77 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 3.55 3.06 -0.13 1.53 2.01 -1.26 -4.90 118.68 122.54 1bsh s LEU 41 Ca 0.53 1.38 0.05 0.00 0.01 0.00 0.00 54.13 56.10 1bsh s LEU 41 Cb 0.10 -4.29 0.16 0.00 0.01 0.00 0.00 46.19 42.16 1bsh s LEU 41 CO 0.02 -1.22 0.91 0.00 1.01 0.00 0.00 176.35 177.07 1bsh n LEU 42 N -2.97 -0.72 0.00 1.79 -0.00 -1.26 -2.24 117.00 111.60 1bsh n LEU 42 Ca 0.07 -1.87 0.00 0.00 -0.00 0.00 0.00 56.01 54.20 1bsh n LEU 42 Cb 0.55 0.35 0.00 0.00 -0.00 0.00 0.00 43.42 44.32 1bsh n LEU 42 CO 0.57 1.29 0.00 1.07 -0.00 0.00 0.00 177.39 180.32 1bsh n THR 43 N -0.59 0.00 -4.17 1.47 5.66 -1.24 -4.76 114.28 110.65 1bsh n THR 43 Ca -0.11 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.78 1bsh n THR 43 Cb 0.64 -0.16 -0.10 0.00 -1.55 0.00 0.00 70.33 69.16 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 -3.39 0.95 -0.12 1.79 0.00 -1.26 -2.88 121.76 116.86 1bsh s ALA 44 Ca 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 51.96 50.48 1bsh s ALA 44 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1bsh s ALA 44 CO 0.00 -0.35 0.12 -1.50 0.00 0.00 0.00 175.76 174.03 1bsh s ILE 45 N -3.80 5.34 0.26 0.00 2.07 -0.89 -4.63 121.20 119.55 1bsh s ILE 45 Ca 0.17 0.15 -0.30 0.00 -1.41 0.00 0.00 60.65 59.26 1bsh s ILE 45 Cb 0.07 -3.32 -0.09 0.00 0.13 0.00 0.00 42.46 39.24 1bsh s ILE 45 CO -0.02 0.62 1.09 -0.54 -1.91 0.00 0.00 174.94 174.17 1bsh s LYS 46 N -0.99 4.65 0.00 3.50 -0.14 -1.26 -3.90 119.74 121.59 1bsh s LYS 46 Ca 0.15 1.76 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 1bsh s LYS 46 Cb -0.12 -3.21 0.00 0.00 -1.68 0.00 0.00 37.83 32.82 1bsh s LYS 46 CO 0.04 0.21 0.00 -0.35 -0.76 0.00 0.00 175.35 174.49 1bsh n PRO 47 N 1.45 0.79 0.00 -1.68 -0.04 -1.22 -4.73 135.00 129.56 1bsh n PRO 47 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bsh n PRO 47 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 4.90 0.84 3.88 0.55 0.00 -1.00 -2.75 105.19 111.61 1bsh n GLY 48 Ca 0.00 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 2.35 -0.23 1.61 0.23 -1.07 -2.80 119.30 119.39 1bsh s MET 49 Ca 0.00 -1.81 -0.08 0.00 -1.03 0.00 0.00 55.69 52.78 1bsh s MET 49 Cb 0.00 -2.21 0.10 0.00 -1.53 0.00 0.00 34.83 31.19 1bsh s MET 49 CO 0.00 -0.42 0.49 -1.50 -2.03 0.00 0.00 175.02 171.57 1bsh s ILE 50 N -2.64 -0.76 0.09 3.16 -1.16 -0.49 -1.64 121.20 117.75 1bsh s ILE 50 Ca 0.41 0.11 -0.00 0.00 -0.51 0.00 0.00 60.65 60.67 1bsh s ILE 50 Cb -0.02 -0.77 -0.04 0.00 0.61 0.00 0.00 42.46 42.24 1bsh s ILE 50 CO 0.25 0.05 0.24 -0.13 -2.81 0.00 0.00 174.94 172.53 1bsh s ARG 51 N 2.70 3.46 0.19 3.50 1.81 -0.94 -2.09 118.95 127.58 1bsh s ARG 51 Ca -0.03 -0.43 -0.05 0.00 -1.72 0.00 0.00 55.73 53.50 1bsh s ARG 51 Cb -0.12 -3.01 -0.03 0.00 -0.45 0.00 0.00 34.95 31.35 1bsh s ARG 51 CO -0.15 0.58 0.21 -1.50 -0.68 0.00 0.00 175.30 173.76 1bsh s ILE 52 N -1.57 0.04 -0.39 1.52 2.07 -1.01 -1.58 121.20 120.28 1bsh s ILE 52 Ca 0.36 -1.74 0.01 0.00 -1.41 0.00 0.00 60.65 57.87 1bsh s ILE 52 Cb -0.13 -2.20 0.14 0.00 0.13 0.00 0.00 42.46 40.40 1bsh s ILE 52 CO 0.28 -0.17 0.22 -0.69 -1.91 0.00 0.00 174.94 172.67 1bsh s VAL 53 N -4.07 0.79 -0.08 4.00 1.01 0.13 -1.93 120.40 120.25 1bsh s VAL 53 Ca 0.28 -2.09 -0.35 0.00 0.00 0.00 0.00 61.98 59.82 1bsh s VAL 53 Cb 0.05 -1.56 -0.13 0.00 0.00 0.00 0.00 36.38 34.74 1bsh s VAL 53 CO 0.07 -0.92 1.80 1.17 0.00 0.00 0.00 175.10 177.21 1bsh n LYS 54 N 3.86 1.98 0.00 2.72 4.81 -0.07 -1.18 118.16 130.28 1bsh n LYS 54 Ca 0.09 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1bsh n LYS 54 Cb 0.36 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bsh n GLN 55 N 5.89 0.00 -2.45 1.64 7.27 -1.26 -3.75 117.38 124.71 1bsh n GLN 55 Ca 0.22 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.88 1bsh n GLN 55 Cb 0.26 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.89 1bsh n GLN 55 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1bsh s HIS 56 N 0.00 2.32 0.00 3.69 5.65 -1.26 -4.40 115.29 121.29 1bsh s HIS 56 Ca 0.00 0.35 0.00 0.00 0.25 0.00 0.00 55.06 55.66 1bsh s HIS 56 Cb 0.00 -4.46 0.00 0.00 -1.18 0.00 0.00 32.58 26.94 1bsh s HIS 56 CO 0.00 -1.93 0.00 0.41 -0.65 0.00 0.00 174.74 172.57 1bsh n GLY 57 N 5.27 0.62 1.72 1.59 0.00 -1.25 -5.11 105.19 108.04 1bsh n GLY 57 Ca 0.10 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1bsh n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 58 N 0.04 -4.43 -4.22 1.61 -0.00 -1.26 -3.30 115.22 103.65 1bsh n HIS 58 Ca 0.00 2.32 -0.19 0.00 -0.00 0.00 0.00 57.72 59.85 1bsh n HIS 58 Cb 0.00 -3.51 -0.16 0.00 -0.00 0.00 0.00 29.99 26.32 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1bsh s GLU 59 N -2.23 0.74 0.43 1.57 8.01 -1.26 -0.89 118.70 125.07 1bsh s GLU 59 Ca 0.00 -0.18 0.08 0.00 0.01 0.00 0.00 54.97 54.88 1bsh s GLU 59 Cb 0.00 -0.73 -0.01 0.00 -4.31 0.00 0.00 34.13 29.08 1bsh s GLU 59 CO 0.00 0.02 0.44 -2.00 0.01 0.00 0.00 175.26 173.74 1bsh s GLU 60 N 0.44 2.60 -0.08 1.61 2.12 -0.81 -4.90 118.70 119.68 1bsh s GLU 60 Ca -0.06 -1.47 -0.00 0.00 0.36 0.00 0.00 54.97 53.80 1bsh s GLU 60 Cb -0.10 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.84 1bsh s GLU 60 CO 0.00 -0.25 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.38 1bsh s PHE 61 N -2.45 0.98 0.21 5.30 0.40 -1.26 -2.41 117.98 118.74 1bsh s PHE 61 Ca 0.50 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.46 1bsh s PHE 61 Cb -0.05 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 1bsh s PHE 61 CO 0.29 -0.35 0.10 0.42 0.70 0.00 0.00 175.22 176.39 1bsh s ILE 62 N 1.57 0.23 -0.16 0.64 1.09 -0.89 -3.84 121.20 119.84 1bsh s ILE 62 Ca 0.00 -1.99 -0.25 0.00 -1.10 0.00 0.00 60.65 57.31 1bsh s ILE 62 Cb -0.13 -2.48 0.06 0.00 -1.06 0.00 0.00 42.46 38.85 1bsh s ILE 62 CO -0.04 -0.07 0.64 -0.47 -0.10 0.00 0.00 174.94 174.89 1bsh s TYR 63 N -3.99 -0.66 0.00 3.97 6.14 -1.08 -1.39 117.35 120.34 1bsh s TYR 63 Ca 0.36 1.44 0.00 0.00 0.64 0.00 0.00 57.07 59.51 1bsh s TYR 63 Cb 0.07 0.29 0.00 0.00 0.42 0.00 0.00 41.96 42.74 1bsh s TYR 63 CO 0.11 -0.44 0.00 1.47 0.64 0.00 0.00 175.55 177.33 1bsh n LEU 64 N 2.01 0.00 0.00 6.97 -0.00 -1.12 -1.43 117.00 123.43 1bsh n LEU 64 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.85 1bsh n LEU 64 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1bsh n LEU 64 CO 0.13 0.00 0.00 -1.54 -0.00 0.00 0.00 177.39 175.98 1bsh n SER 65 N -0.23 0.00 0.00 1.45 3.41 -1.25 -2.38 113.62 114.62 1bsh n SER 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1bsh n SER 65 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 5.00 1.17 0.00 5.00 0.00 -1.26 -3.41 105.19 111.69 1bsh n GLY 66 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 5.00 0.59 3.54 -0.02 0.00 -1.25 -4.19 105.19 108.85 1bsh n GLY 67 Ca 0.00 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1bsh n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bsh s ILE 68 N -0.96 4.53 0.38 -0.61 2.07 -0.90 -2.10 121.20 123.61 1bsh s ILE 68 Ca 0.00 -0.11 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1bsh s ILE 68 Cb 0.00 -3.08 -0.05 0.00 0.13 0.00 0.00 42.46 39.46 1bsh s ILE 68 CO 0.00 0.40 0.15 -1.48 -1.91 0.00 0.00 174.94 172.10 1bsh s LEU 69 N 0.99 3.14 -0.29 8.50 0.05 -1.14 -1.86 118.68 128.06 1bsh s LEU 69 Ca 0.04 -0.98 -0.13 0.00 0.05 0.00 0.00 54.13 53.11 1bsh s LEU 69 Cb -0.14 -1.51 0.12 0.00 -2.05 0.00 0.00 46.19 42.61 1bsh s LEU 69 CO 0.03 -0.43 0.72 -1.83 -0.55 0.00 0.00 176.35 174.29 1bsh s GLU 70 N -3.86 0.57 -0.03 1.48 -1.05 -0.16 -3.64 118.70 112.01 1bsh s GLU 70 Ca 0.39 1.25 -0.04 0.00 -0.15 0.00 0.00 54.97 56.43 1bsh s GLU 70 Cb 0.01 0.56 -0.04 0.00 -0.44 0.00 0.00 34.13 34.22 1bsh s GLU 70 CO 0.22 -0.17 0.18 0.54 0.95 0.00 0.00 175.26 176.98 1bsh s VAL 71 N 2.37 5.45 0.46 1.83 0.11 -0.95 -1.48 120.40 128.18 1bsh s VAL 71 Ca -0.07 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 1bsh s VAL 71 Cb -0.09 -3.52 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1bsh s VAL 71 CO -0.19 0.38 0.03 -1.10 -3.33 0.00 0.00 175.10 170.89 1bsh s GLN 72 N -1.77 2.05 -1.26 1.54 1.11 0.15 -4.71 119.66 116.77 1bsh s GLN 72 Ca 0.25 -2.26 -0.18 0.00 0.01 0.00 0.00 55.36 53.18 1bsh s GLN 72 Cb -0.13 -1.36 0.00 0.00 -1.01 0.00 0.00 33.01 30.51 1bsh s GLN 72 CO 0.16 -0.29 1.94 -0.35 0.01 0.00 0.00 175.29 176.76 1bsh n PRO 73 N -1.09 2.60 0.00 2.91 -0.04 -1.26 -3.54 135.00 134.58 1bsh n PRO 73 Ca -0.12 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.58 1bsh n PRO 73 Cb 0.67 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.72 1bsh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 74 N 4.98 2.77 3.08 0.55 0.00 -1.26 -5.09 105.19 110.21 1bsh n GLY 74 Ca 0.49 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1bsh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsh s ASN 75 N -0.18 0.07 0.04 1.61 2.20 -1.23 -0.14 114.94 117.32 1bsh s ASN 75 Ca 0.00 -0.27 0.06 0.00 -0.94 0.00 0.00 52.86 51.72 1bsh s ASN 75 Cb 0.00 0.18 -0.02 0.00 -2.00 0.00 0.00 41.25 39.41 1bsh s ASN 75 CO 0.00 -0.35 -0.18 0.54 -2.94 0.00 0.00 177.10 174.17 1bsh s VAL 76 N -1.38 1.41 0.10 3.54 0.11 0.08 -0.68 120.40 123.58 1bsh s VAL 76 Ca -0.15 -1.10 0.04 0.00 -2.93 0.00 0.00 61.98 57.84 1bsh s VAL 76 Cb -0.08 -1.25 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 1bsh s VAL 76 CO 0.01 0.12 -0.10 0.42 -3.33 0.00 0.00 175.10 172.22 1bsh s THR 77 N -0.81 0.95 -0.02 5.04 -4.23 -0.55 0.14 115.64 116.16 1bsh s THR 77 Ca 0.05 -1.62 -0.29 0.00 -1.18 0.00 0.00 61.69 58.65 1bsh s THR 77 Cb -0.08 -1.35 0.09 0.00 1.34 0.00 0.00 72.50 72.50 1bsh s THR 77 CO 0.02 -0.54 0.75 0.54 -0.54 0.00 0.00 174.62 174.85 1bsh s VAL 78 N -2.38 0.00 0.18 2.29 0.11 -0.43 -0.98 120.40 119.19 1bsh s VAL 78 Ca 0.05 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.16 1bsh s VAL 78 Cb -0.03 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1bsh s VAL 78 CO 0.00 0.00 -0.10 -0.76 -3.33 0.00 0.00 175.10 170.91 1bsh s LEU 79 N -1.72 2.49 0.00 2.54 1.43 -0.78 -1.73 118.68 120.92 1bsh s LEU 79 Ca -0.04 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1bsh s LEU 79 Cb -0.00 -0.45 0.00 0.00 0.03 0.00 0.00 46.19 45.77 1bsh s LEU 79 CO 0.00 -0.31 0.00 0.00 0.23 0.00 0.00 176.35 176.28 1bsh n ALA 80 N -0.30 0.00 0.00 4.21 0.00 -0.63 -2.11 120.51 121.67 1bsh n ALA 80 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1bsh n ALA 80 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1bsh n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsh n ASP 81 N 0.00 2.75 -4.70 0.00 8.00 -1.26 -2.94 116.55 118.39 1bsh n ASP 81 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 1bsh n ASP 81 Cb 0.00 0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.59 3.04 -0.36 -3.53 2.01 -1.26 -3.63 115.64 110.33 1bsh s THR 82 Ca 0.00 -1.77 -0.05 0.00 0.31 0.00 0.00 61.69 60.18 1bsh s THR 82 Cb 0.00 -2.93 0.19 0.00 0.01 0.00 0.00 72.50 69.77 1bsh s THR 82 CO 0.00 -0.22 0.97 0.00 -0.69 0.00 0.00 174.62 174.68 1bsh s ALA 83 N -2.42 -3.94 -0.14 7.40 0.00 -1.26 -3.81 121.76 117.59 1bsh s ALA 83 Ca 0.36 0.81 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 1bsh s ALA 83 Cb -0.03 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 1bsh s ALA 83 CO 0.22 -2.44 0.03 0.42 0.00 0.00 0.00 175.76 173.98 1bsh s ILE 84 N 1.62 4.49 0.75 0.00 1.09 -0.51 -4.96 121.20 123.67 1bsh s ILE 84 Ca 0.18 -0.16 -0.15 0.00 -1.10 0.00 0.00 60.65 59.42 1bsh s ILE 84 Cb 0.04 -2.96 0.04 0.00 -1.06 0.00 0.00 42.46 38.52 1bsh s ILE 84 CO -0.12 0.53 1.12 -1.14 -0.10 0.00 0.00 174.94 175.23 1bsh n ARG 85 N 2.93 0.47 -0.23 2.79 0.63 -1.26 -2.62 116.66 119.37 1bsh n ARG 85 Ca -0.18 0.23 0.22 0.00 -0.92 0.00 0.00 57.85 57.20 1bsh n ARG 85 Cb 0.53 -2.37 0.57 0.00 0.45 0.00 0.00 32.46 31.64 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 -0.41 0.68 -5.24 5.14 0.00 -1.79 -2.85 103.07 98.61 1bsh h GLY 86 Ca -0.47 -0.14 -0.29 0.00 0.00 0.00 0.00 47.33 46.43 1bsh h GLY 86 CO 0.47 -0.02 -1.14 0.61 0.00 0.00 0.00 176.54 176.47 1bsh n GLN 87 N -4.46 1.48 0.08 4.80 10.64 -1.26 -4.56 117.38 124.10 1bsh n GLN 87 Ca 0.20 -3.36 0.04 0.00 -1.83 0.00 0.00 57.00 52.05 1bsh n GLN 87 Cb 0.78 -1.42 0.47 0.00 -0.86 0.00 0.00 30.24 29.21 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1bsh h ASP 88 N 2.75 0.31 -1.56 2.61 1.82 -1.84 -3.44 116.42 117.07 1bsh h ASP 88 Ca -0.13 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 1bsh h ASP 88 Cb 1.23 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.16 1bsh h ASP 88 CO 0.31 0.27 0.00 0.18 -1.61 0.00 0.00 179.24 178.39 1bsh n LEU 89 N -4.45 0.00 -4.31 2.28 4.77 -1.26 -5.03 117.00 109.00 1bsh n LEU 89 Ca 0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 1bsh n LEU 89 Cb 0.11 0.00 0.29 0.00 -2.33 0.00 0.00 43.42 41.49 1bsh n LEU 89 CO 0.36 0.00 0.42 -1.81 -1.33 0.00 0.00 177.39 175.02 1bsh s ASP 90 N -0.12 -1.11 0.01 -1.43 1.01 -1.26 -5.02 116.67 108.74 1bsh s ASP 90 Ca 0.00 0.77 -0.06 0.00 0.71 0.00 0.00 52.55 53.98 1bsh s ASP 90 Cb 0.00 -1.07 -0.02 0.00 1.01 0.00 0.00 42.92 42.85 1bsh s ASP 90 CO 0.00 -5.38 -0.11 -0.62 0.21 0.00 0.00 175.17 169.27 1bsh n GLU 91 N -5.64 0.16 0.06 8.23 4.71 -1.26 -4.59 120.64 122.32 1bsh n GLU 91 Ca 0.14 0.06 0.13 0.00 -0.01 0.00 0.00 57.16 57.48 1bsh n GLU 91 Cb 0.60 -0.76 0.48 0.00 -1.01 0.00 0.00 31.44 30.76 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1bsh n ALA 92 N -3.71 2.14 1.71 0.62 0.00 -1.26 -2.71 120.51 117.29 1bsh n ALA 92 Ca -0.04 -0.04 0.14 0.00 0.00 0.00 0.00 53.44 53.51 1bsh n ALA 92 Cb 0.16 -1.43 0.69 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.92 1.37 0.00 0.00 3.00 -1.26 -3.36 116.66 114.49 1bsh n ARG 93 Ca 0.05 -0.55 0.14 0.00 -0.01 0.00 0.00 57.85 57.48 1bsh n ARG 93 Cb 0.34 -1.48 0.45 0.00 0.00 0.00 0.00 32.46 31.78 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 -0.33 2.75 0.07 7.54 0.00 -1.10 -3.78 120.51 125.67 1bsh n ALA 94 Ca 0.21 -0.44 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1bsh n ALA 94 Cb 0.24 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.06 0.61 0.00 0.00 2.81 -1.21 -3.73 117.12 115.54 1bsh n MET 95 Ca 0.16 0.17 0.14 0.00 -1.81 0.00 0.00 57.70 56.36 1bsh n MET 95 Cb 0.36 -1.82 0.61 0.00 -0.71 0.00 0.00 33.22 31.66 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 -2.77 0.05 0.13 0.03 1.02 -1.25 -3.19 120.64 114.66 1bsh n GLU 96 Ca -0.04 -0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.13 1bsh n GLU 96 Cb 0.68 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.62 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 3.05 0.69 0.00 0.62 0.00 -1.75 -3.23 119.26 118.65 1bsh h ALA 97 Ca 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.25 1bsh h ALA 97 Cb 0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1bsh h ALA 97 CO 0.00 0.58 -1.38 1.57 0.00 0.00 0.00 179.25 180.03 1bsh h LYS 98 N 0.00 0.00 -0.41 0.00 5.09 -1.73 -2.75 116.57 116.77 1bsh h LYS 98 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 60.65 60.62 1bsh h LYS 98 Cb 1.36 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.68 1bsh h LYS 98 CO 0.05 0.45 -0.09 -0.09 -2.09 0.00 0.00 179.45 177.67 1bsh h ARG 99 N 0.00 0.79 0.10 0.07 2.43 -1.62 0.19 114.38 116.34 1bsh h ARG 99 Ca -0.17 -0.30 -0.26 0.00 -0.81 0.00 0.00 59.98 58.43 1bsh h ARG 99 Cb 1.72 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.22 1bsh h ARG 99 CO 0.07 0.92 -1.23 0.87 -1.51 0.00 0.00 179.97 179.08 1bsh h LYS 100 N 0.61 0.20 0.00 0.20 1.57 -1.69 -3.19 116.57 114.28 1bsh h LYS 100 Ca 0.11 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1bsh h LYS 100 Cb 0.62 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1bsh h LYS 100 CO 0.04 1.15 0.00 0.00 -0.57 0.00 0.00 179.45 180.07 1bsh n ALA 101 N -2.51 2.16 0.18 3.86 0.00 -1.04 -2.91 120.51 120.25 1bsh n ALA 101 Ca -0.08 -0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1bsh n ALA 101 Cb 1.01 -1.45 0.14 0.00 0.00 0.00 0.00 19.45 19.15 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 0.00 0.00 -0.58 0.00 4.57 -0.61 -3.21 114.58 114.75 1bsh h GLU 102 Ca 0.00 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.34 1bsh h GLU 102 Cb 0.63 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 1bsh h GLU 102 CO 0.00 0.28 0.41 1.49 -1.18 0.00 0.00 179.01 180.02 1bsh h GLU 103 N 0.00 0.04 0.01 1.92 4.22 -1.60 -1.26 114.58 117.91 1bsh h GLU 103 Ca -0.00 -0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.33 1bsh h GLU 103 Cb 1.16 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.41 1bsh h GLU 103 CO 0.04 0.03 -0.43 0.45 -2.18 0.00 0.00 179.01 176.91 1bsh h HIS 104 N 0.04 0.41 -0.96 0.92 3.86 -1.77 -3.25 115.15 114.39 1bsh h HIS 104 Ca 0.28 -0.23 0.16 0.00 -1.16 0.00 0.00 60.37 59.42 1bsh h HIS 104 Cb 1.05 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 29.38 1bsh h HIS 104 CO -0.00 1.06 0.57 0.82 0.86 0.00 0.00 177.93 181.24 1bsh h ILE 105 N -0.35 0.75 -1.43 2.45 2.04 -1.38 -2.07 117.51 117.52 1bsh h ILE 105 Ca -0.06 -0.27 -0.73 0.00 1.00 0.00 0.00 64.86 64.81 1bsh h ILE 105 Cb 1.18 -0.09 -0.17 0.00 -0.74 0.00 0.00 36.82 37.00 1bsh h ILE 105 CO 0.08 0.14 1.76 -1.20 0.00 0.00 0.00 178.15 178.94 1bsh n SER 106 N -4.76 7.66 0.00 1.72 7.64 -0.92 -4.88 113.62 120.07 1bsh n SER 106 Ca 0.21 -3.31 0.00 0.00 1.01 0.00 0.00 58.87 56.78 1bsh n SER 106 Cb 0.49 -1.29 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 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 1.09 0.00 -0.25 6.43 3.41 -0.78 -4.97 113.62 118.55 1bsh n SER 107 Ca 0.57 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 59.21 1bsh n SER 107 Cb 0.29 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 1bsh n SER 107 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bsh n SER 108 N 0.00 -1.50 -1.28 4.04 2.88 -1.26 -4.71 113.62 111.79 1bsh n SER 108 Ca 0.00 0.15 -0.01 0.00 -1.33 0.00 0.00 58.87 57.68 1bsh n SER 108 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1bsh n SER 108 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh n HIS 109 N -2.37 -1.16 0.00 0.66 1.44 -1.26 -4.81 115.22 107.73 1bsh n HIS 109 Ca -0.00 -0.29 0.00 0.00 -2.01 0.00 0.00 57.72 55.41 1bsh n HIS 109 Cb 0.12 0.14 0.00 0.00 0.12 0.00 0.00 29.99 30.36 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bsh n GLY 110 N -0.08 2.67 3.77 -1.39 0.00 -1.26 -4.60 105.19 104.30 1bsh n GLY 110 Ca -0.01 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1bsh n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bsh s ASP 111 N 0.00 6.51 -0.66 1.61 2.15 -1.26 -2.23 116.67 122.79 1bsh s ASP 111 Ca 0.00 2.89 -0.08 0.00 0.43 0.00 0.00 52.55 55.79 1bsh s ASP 111 Cb 0.00 -2.66 0.08 0.00 -0.30 0.00 0.00 42.92 40.05 1bsh s ASP 111 CO 0.00 -0.75 0.21 1.33 -0.17 0.00 0.00 175.17 175.79 1bsh n VAL 112 N 0.82 0.00 0.00 1.11 0.24 -1.26 -4.84 118.33 114.40 1bsh n VAL 112 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 1bsh n VAL 112 Cb 0.40 -0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -1.83 0.00 0.15 -1.34 2.03 -0.95 -3.81 116.55 110.80 1bsh n ASP 113 Ca 0.04 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.48 1bsh n ASP 113 Cb 0.48 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.36 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1bsh h TYR 114 N 0.00 0.00 -0.32 -0.67 -0.00 -1.81 -2.82 116.97 111.35 1bsh h TYR 114 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1bsh h TYR 114 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 1bsh h TYR 114 CO 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 178.16 178.02 1bsh h ALA 115 N 2.28 1.16 0.00 0.10 0.00 -1.88 -1.15 119.26 119.77 1bsh h ALA 115 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bsh h ALA 115 Cb 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1bsh h ALA 115 CO 0.00 0.53 0.00 1.04 0.00 0.00 0.00 179.25 180.82 1bsh n GLN 116 N -4.18 0.08 0.05 0.00 6.02 -1.06 -1.92 117.38 116.37 1bsh n GLN 116 Ca 0.01 0.33 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1bsh n GLN 116 Cb 0.35 -1.65 0.48 0.00 1.02 0.00 0.00 30.24 30.44 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bsh n ALA 117 N -1.61 2.10 0.21 -1.58 0.00 -0.43 -2.81 120.51 116.39 1bsh n ALA 117 Ca 0.03 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1bsh n ALA 117 Cb 0.18 -1.42 0.15 0.00 0.00 0.00 0.00 19.45 18.37 1bsh n ALA 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bsh h SER 118 N 0.00 0.00 0.25 0.00 0.87 -1.50 -2.02 113.55 111.16 1bsh h SER 118 Ca 0.00 -0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.28 1bsh h SER 118 Cb 0.51 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.49 1bsh h SER 118 CO 0.00 0.00 -1.16 0.00 -0.53 0.00 0.00 176.83 175.14 1bsh h ALA 119 N 2.01 0.11 0.05 6.23 0.00 -1.70 -2.87 119.26 123.09 1bsh h ALA 119 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 54.91 53.86 1bsh h ALA 119 Cb 1.00 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1bsh h ALA 119 CO 0.00 0.77 -1.46 1.05 0.00 0.00 0.00 179.25 179.61 1bsh h GLU 120 N 0.24 0.11 0.27 0.00 4.11 -1.67 -3.30 114.58 114.34 1bsh h GLU 120 Ca -0.15 -0.19 -0.01 0.00 0.07 0.00 0.00 59.36 59.07 1bsh h GLU 120 Cb 1.84 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.16 1bsh h GLU 120 CO 0.21 0.91 -0.13 1.25 0.07 0.00 0.00 179.01 181.32 1bsh h LEU 121 N 0.03 -0.31 -1.39 3.06 5.85 -1.45 -2.79 115.31 118.31 1bsh h LEU 121 Ca -0.20 0.01 0.25 0.00 0.84 0.00 0.00 57.88 58.78 1bsh h LEU 121 Cb 1.95 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 43.03 1bsh h LEU 121 CO 0.13 -0.17 0.97 0.00 -0.34 0.00 0.00 178.44 179.03 1bsh h ALA 122 N -1.72 2.71 0.27 1.25 0.00 -1.70 0.21 119.26 120.28 1bsh h ALA 122 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1bsh h ALA 122 Cb 0.28 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bsh h ALA 122 CO 0.06 -1.41 -0.13 -0.22 0.00 0.00 0.00 179.25 177.55 1bsh h LYS 123 N 0.00 -0.34 0.00 0.00 3.64 -1.57 -2.35 116.57 115.94 1bsh h LYS 123 Ca 0.41 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.74 1bsh h LYS 123 Cb 2.34 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 34.23 1bsh h LYS 123 CO -0.00 -0.11 -0.33 0.00 -2.27 0.00 0.00 179.45 176.74 1bsh h ALA 124 N 0.16 1.25 0.00 5.00 0.00 -0.55 -1.96 119.26 123.15 1bsh h ALA 124 Ca -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bsh h ALA 124 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bsh h ALA 124 CO 0.06 0.41 0.00 -0.89 0.00 0.00 0.00 179.25 178.83 1bsh n ILE 125 N -3.84 0.27 1.83 0.00 2.08 -0.87 -2.59 119.36 116.23 1bsh n ILE 125 Ca -0.01 0.07 0.16 0.00 0.56 0.00 0.00 62.75 63.52 1bsh n ILE 125 Cb 0.40 -0.69 0.89 0.00 -0.75 0.00 0.00 39.64 39.50 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh n ALA 126 N -1.27 2.63 -0.00 -1.39 0.00 -0.74 -3.13 120.51 116.60 1bsh n ALA 126 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 1bsh n ALA 126 Cb 0.18 -1.51 -0.12 0.00 0.00 0.00 0.00 19.45 18.00 1bsh n ALA 126 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bsh h GLN 127 N 0.00 0.00 0.00 0.00 4.15 -1.69 -3.31 115.11 114.26 1bsh h GLN 127 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1bsh h GLN 127 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1bsh h GLN 127 CO 0.00 0.44 0.00 1.25 -1.93 0.00 0.00 178.83 178.59 1bsh h LEU 128 N 0.00 0.00 0.00 -2.39 6.46 -1.75 -2.19 115.31 115.43 1bsh h LEU 128 Ca -0.24 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.36 1bsh h LEU 128 Cb 1.88 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.78 1bsh h LEU 128 CO 0.07 0.00 -0.78 0.03 -0.62 0.00 0.00 178.44 177.15 1bsh h ARG 129 N 0.00 0.00 0.00 1.25 2.47 -1.72 -3.26 114.38 113.12 1bsh h ARG 129 Ca 0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 1bsh h ARG 129 Cb 0.37 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.65 1bsh h ARG 129 CO 0.00 0.70 -1.57 -0.39 0.56 0.00 0.00 179.97 179.28 1bsh h VAL 130 N 0.00 0.77 0.00 2.04 -1.51 -1.58 -3.32 116.25 112.65 1bsh h VAL 130 Ca -0.02 -2.50 -0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1bsh h VAL 130 Cb 1.57 2.31 -0.00 0.00 -2.13 0.00 0.00 31.29 33.04 1bsh h VAL 130 CO 0.09 0.44 -0.01 0.16 -1.23 0.00 0.00 177.57 177.02 1bsh h ILE 131 N 0.00 0.05 0.00 7.19 3.07 -1.48 -1.79 117.51 124.55 1bsh h ILE 131 Ca -0.23 -0.36 -0.12 0.00 1.55 0.00 0.00 64.86 65.70 1bsh h ILE 131 Cb 1.86 1.34 -0.02 0.00 -0.27 0.00 0.00 36.82 39.73 1bsh h ILE 131 CO 0.07 0.01 -0.55 -0.33 -1.05 0.00 0.00 178.15 176.30 1bsh h GLU 132 N 0.00 0.00 0.04 0.16 5.08 -1.65 -3.31 114.58 114.90 1bsh h GLU 132 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1bsh h GLU 132 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1bsh h GLU 132 CO 0.00 0.55 -1.16 -0.07 -1.00 0.00 0.00 179.01 177.34 1bsh h LEU 133 N 0.00 0.13 -1.71 1.33 4.07 -1.51 -3.33 115.31 114.29 1bsh h LEU 133 Ca -0.01 -0.70 0.37 0.00 0.08 0.00 0.00 57.88 57.62 1bsh h LEU 133 Cb 1.34 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.99 1bsh h LEU 133 CO 0.07 1.48 1.09 0.71 -1.08 0.00 0.00 178.44 180.71 1bsh h THR 134 N -0.75 0.15 -0.05 0.22 1.35 -1.48 -0.94 112.91 111.43 1bsh h THR 134 Ca -0.29 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.58 1bsh h THR 134 Cb 1.43 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1bsh h THR 134 CO -0.09 0.00 -0.16 0.11 -0.25 0.00 0.00 175.52 175.13 1bsh h LYS 135 N 0.00 -0.16 -0.70 4.72 1.57 -1.67 -2.67 116.57 117.66 1bsh h LYS 135 Ca 0.61 0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 59.12 1bsh h LYS 135 Cb 2.79 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 34.97 1bsh h LYS 135 CO -0.01 -0.11 0.29 1.17 -0.57 0.00 0.00 179.45 180.23 1bsh n LYS 136 N -3.43 2.77 -0.12 3.15 4.81 -0.62 -4.39 118.16 120.34 1bsh n LYS 136 Ca -0.02 -3.07 -0.15 0.00 -0.87 0.00 0.00 58.31 54.21 1bsh n LYS 136 Cb 0.11 -2.09 -0.13 0.00 0.02 0.00 0.00 35.03 32.95 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 -0.72 1.47 0.90 3.14 0.00 -0.45 -5.12 120.51 119.73 1bsh n ALA 137 Ca 0.44 -1.16 0.07 0.00 0.00 0.00 0.00 53.44 52.78 1bsh n ALA 137 Cb 1.36 -0.12 0.43 0.00 0.00 0.00 0.00 19.45 21.12 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17