#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 0.00 -0.94 0.00 -0.00 -1.26 -4.53 117.12 110.38 1bsh n MET 2 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.70 57.33 1bsh n MET 2 Cb 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 33.22 33.28 1bsh n MET 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1bsh n THR 3 N 0.00 0.00 -1.14 3.17 5.66 -1.26 -4.60 114.28 116.11 1bsh n THR 3 Ca 0.00 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1bsh n THR 3 Cb 0.00 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 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 -3.34 0.00 -4.30 1.09 4.11 -0.53 -4.89 117.16 109.31 1bsh n TYR 4 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.71 1bsh n TYR 4 Cb 0.67 0.00 -0.14 0.00 -0.00 0.00 0.00 39.34 39.87 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 0.39 0.72 0.03 -3.48 5.65 -1.21 -1.66 115.29 115.74 1bsh s HIS 5 Ca 0.00 -0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.15 1bsh s HIS 5 Cb 0.00 -0.46 -0.03 0.00 -1.18 0.00 0.00 32.58 30.91 1bsh s HIS 5 CO 0.00 -0.01 -0.04 -0.48 -0.65 0.00 0.00 174.74 173.55 1bsh s LEU 6 N -0.29 2.30 -0.38 8.88 0.05 -0.99 -1.03 118.68 127.22 1bsh s LEU 6 Ca 0.02 -0.62 0.02 0.00 0.05 0.00 0.00 54.13 53.61 1bsh s LEU 6 Cb -0.04 0.05 0.15 0.00 -2.05 0.00 0.00 46.19 44.31 1bsh s LEU 6 CO -0.00 -0.34 0.31 -0.62 -0.55 0.00 0.00 176.35 175.15 1bsh s ASP 7 N -1.80 1.89 0.04 1.48 2.15 -0.48 -2.18 116.67 117.77 1bsh s ASP 7 Ca -0.10 -2.27 -0.01 0.00 0.43 0.00 0.00 52.55 50.60 1bsh s ASP 7 Cb -0.06 -0.07 -0.04 0.00 -0.30 0.00 0.00 42.92 42.45 1bsh s ASP 7 CO -0.02 -0.25 0.21 0.68 -0.17 0.00 0.00 175.17 175.62 1bsh s VAL 8 N 0.86 5.40 0.30 1.11 -7.23 0.33 -1.18 120.40 119.99 1bsh s VAL 8 Ca 0.23 -0.31 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 1bsh s VAL 8 Cb -0.13 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.22 1bsh s VAL 8 CO -0.06 0.20 0.55 0.68 -0.31 0.00 0.00 175.10 176.16 1bsh s VAL 9 N -1.45 0.00 0.00 1.32 -7.23 -0.12 -2.53 120.40 110.38 1bsh s VAL 9 Ca 0.33 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1bsh s VAL 9 Cb -0.13 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1bsh s VAL 9 CO 0.25 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.84 1bsh n SER 10 N -0.82 0.36 0.20 4.85 7.64 -1.26 -1.34 113.62 123.26 1bsh n SER 10 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.89 1bsh n SER 10 Cb 0.61 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.23 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 1.51 -0.14 -0.43 0.00 -1.27 -2.84 119.26 117.09 1bsh h ALA 11 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1bsh h ALA 11 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1bsh h ALA 11 CO 0.00 0.37 -0.20 0.39 0.00 0.00 0.00 179.25 179.81 1bsh n GLU 12 N -4.18 1.76 -3.08 0.00 -0.58 -1.26 -5.03 120.64 108.27 1bsh n GLU 12 Ca -0.02 -3.06 -0.00 0.00 -0.42 0.00 0.00 57.16 53.66 1bsh n GLU 12 Cb 0.34 -1.68 -0.00 0.00 -0.57 0.00 0.00 31.44 29.53 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1bsh n GLN 13 N -1.12 -1.10 -2.73 3.49 6.02 -1.07 -4.98 117.38 115.89 1bsh n GLN 13 Ca 0.23 1.26 -0.05 0.00 -0.01 0.00 0.00 57.00 58.42 1bsh n GLN 13 Cb 0.81 -1.75 0.04 0.00 1.02 0.00 0.00 30.24 30.36 1bsh n GLN 13 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bsh n GLN 14 N 1.46 0.48 0.00 -1.09 1.13 -1.26 -4.83 117.38 113.27 1bsh n GLN 14 Ca -0.02 -1.51 0.00 0.00 -1.94 0.00 0.00 57.00 53.53 1bsh n GLN 14 Cb 0.34 -1.01 0.00 0.00 0.11 0.00 0.00 30.24 29.69 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1bsh n MET 15 N 2.21 0.00 -3.64 -1.09 2.81 -1.26 -4.78 117.12 111.37 1bsh n MET 15 Ca 0.11 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.88 1bsh n MET 15 Cb 0.62 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.06 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 -0.69 -0.87 -0.30 2.03 5.36 -1.05 -4.98 117.98 117.48 1bsh s PHE 16 Ca 0.00 1.97 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 1bsh s PHE 16 Cb 0.00 0.38 0.19 0.00 -0.34 0.00 0.00 43.02 43.26 1bsh s PHE 16 CO 0.00 -0.42 0.60 -1.54 -1.46 0.00 0.00 175.22 172.40 1bsh s SER 17 N 0.77 -1.48 0.00 6.13 1.04 -1.26 -0.51 113.70 118.39 1bsh s SER 17 Ca -0.03 0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1bsh s SER 17 Cb -0.05 2.11 0.00 0.00 0.10 0.00 0.00 66.02 68.18 1bsh s SER 17 CO -0.06 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1bsh n GLY 18 N 5.42 0.61 3.25 7.32 0.00 -0.93 -5.02 105.19 115.85 1bsh n GLY 18 Ca 0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.06 1bsh n GLY 18 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bsh n LEU 19 N 0.00 -1.42 0.00 0.99 4.77 -1.26 -2.36 117.00 117.72 1bsh n LEU 19 Ca 0.00 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1bsh n LEU 19 Cb 0.00 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.08 1bsh n LEU 19 CO 0.00 -3.67 0.00 0.55 -1.33 0.00 0.00 177.39 172.94 1bsh n VAL 20 N -5.04 0.00 0.00 4.08 3.14 -0.66 -4.52 118.33 115.33 1bsh n VAL 20 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1bsh n VAL 20 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.32 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 -0.00 0.00 -3.65 1.45 2.13 0.13 -1.46 120.64 119.24 1bsh n GLU 21 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1bsh n GLU 21 Cb 0.00 -0.84 -0.06 0.00 0.27 0.00 0.00 31.44 30.80 1bsh n GLU 21 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1bsh s LYS 22 N -1.90 0.16 0.00 5.31 -2.85 -1.11 -4.70 119.74 114.65 1bsh s LYS 22 Ca 0.00 0.26 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 1bsh s LYS 22 Cb 0.00 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 1bsh s LYS 22 CO 0.00 -0.03 0.00 0.44 0.10 0.00 0.00 175.35 175.86 1bsh n ILE 23 N 3.17 0.00 -2.83 3.79 -6.64 -1.11 -1.29 119.36 114.45 1bsh n ILE 23 Ca -0.17 0.00 -0.01 0.00 -1.77 0.00 0.00 62.75 60.80 1bsh n ILE 23 Cb 0.57 -1.06 0.01 0.00 -1.44 0.00 0.00 39.64 37.72 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 1bsh s GLN 24 N 0.03 0.53 -0.07 6.28 2.00 0.22 -3.95 119.66 124.70 1bsh s GLN 24 Ca 0.00 -0.38 -0.06 0.00 -2.00 0.00 0.00 55.36 52.91 1bsh s GLN 24 Cb 0.00 0.01 -0.04 0.00 0.80 0.00 0.00 33.01 33.78 1bsh s GLN 24 CO 0.00 -0.70 0.18 0.54 -0.50 0.00 0.00 175.29 174.81 1bsh s VAL 25 N 1.39 5.44 -0.03 1.34 0.11 -1.23 -1.09 120.40 126.34 1bsh s VAL 25 Ca 0.21 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1bsh s VAL 25 Cb 0.04 -3.47 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 1bsh s VAL 25 CO -0.10 0.52 0.01 -0.89 -3.33 0.00 0.00 175.10 171.31 1bsh s THR 26 N -1.13 0.13 0.00 5.04 2.01 -1.23 -3.49 115.64 116.98 1bsh s THR 26 Ca 0.20 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1bsh s THR 26 Cb -0.13 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 72.15 1bsh s THR 26 CO 0.09 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.77 1bsh n GLY 27 N 4.16 0.03 0.00 4.40 0.00 -1.26 -2.87 105.19 109.65 1bsh n GLY 27 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.86 0.00 -4.46 1.61 3.41 -1.26 -4.88 113.62 107.18 1bsh n SER 28 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 1bsh n SER 28 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1bsh n SER 28 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1bsh s GLU 29 N -1.00 1.62 0.40 4.33 2.02 -1.26 -4.88 118.70 119.94 1bsh s GLU 29 Ca 0.00 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.18 1bsh s GLU 29 Cb 0.00 -1.39 0.00 0.00 0.10 0.00 0.00 34.13 32.84 1bsh s GLU 29 CO 0.00 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.81 1bsh n GLY 30 N -0.63 2.39 1.83 -1.39 0.00 -1.26 -4.76 105.19 101.38 1bsh n GLY 30 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 -1.61 -3.89 1.61 2.13 -1.26 -5.06 120.64 112.56 1bsh n GLU 31 Ca 0.00 0.26 -0.09 0.00 0.66 0.00 0.00 57.16 57.99 1bsh n GLU 31 Cb 0.00 -3.31 -0.08 0.00 0.27 0.00 0.00 31.44 28.31 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1bsh s LEU 32 N -3.46 1.57 0.00 4.31 1.43 -1.23 -5.02 118.68 116.29 1bsh s LEU 32 Ca 0.04 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.61 1bsh s LEU 32 Cb -0.01 0.84 0.00 0.00 0.03 0.00 0.00 46.19 47.05 1bsh s LEU 32 CO 0.22 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.82 1bsh n GLY 33 N 0.46 0.33 3.35 -3.19 0.00 -1.26 -3.48 105.19 101.39 1bsh n GLY 33 Ca -0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1bsh n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bsh s ILE 34 N 2.42 0.02 0.04 -0.61 -1.09 -1.25 -4.78 121.20 115.94 1bsh s ILE 34 Ca 0.00 -0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1bsh s ILE 34 Cb 0.00 -0.71 0.00 0.00 -1.58 0.00 0.00 42.46 40.17 1bsh s ILE 34 CO 0.00 -0.10 0.07 -1.22 -1.23 0.00 0.00 174.94 172.46 1bsh n TYR 35 N 1.85 -0.87 -1.99 3.97 4.02 -1.26 -2.76 117.16 120.12 1bsh n TYR 35 Ca -0.18 -0.21 -0.42 0.00 -0.01 0.00 0.00 57.90 57.08 1bsh n TYR 35 Cb 0.56 0.08 -0.01 0.00 -0.02 0.00 0.00 39.34 39.95 1bsh n TYR 35 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1bsh n PRO 36 N -0.06 2.79 0.00 -0.72 -0.04 -1.26 -3.63 135.00 132.08 1bsh n PRO 36 Ca -0.00 -2.76 0.00 0.00 -0.04 0.00 0.00 63.50 60.70 1bsh n PRO 36 Cb 0.06 -3.35 0.00 0.00 -0.04 0.00 0.00 33.50 30.17 1bsh n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 37 N 4.67 0.32 2.27 0.55 0.00 -1.26 -4.63 105.19 107.11 1bsh n GLY 37 Ca 0.50 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 0.98 -1.26 1.61 -0.00 -1.24 -4.96 115.22 110.35 1bsh n HIS 38 Ca 0.00 -1.83 0.15 0.00 0.46 0.00 0.00 57.72 56.49 1bsh n HIS 38 Cb 0.00 -1.54 -0.06 0.00 -0.12 0.00 0.00 29.99 28.27 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh n ALA 39 N 1.72 -3.40 -2.41 1.57 0.00 -1.26 -4.19 120.51 112.55 1bsh n ALA 39 Ca 0.48 0.62 -0.41 0.00 0.00 0.00 0.00 53.44 54.13 1bsh n ALA 39 Cb 0.69 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.92 2.93 -3.62 0.00 -0.04 -1.26 -4.86 135.00 124.23 1bsh n PRO 40 Ca -0.04 -3.09 -0.35 0.00 -0.04 0.00 0.00 63.50 59.98 1bsh n PRO 40 Cb 0.62 -3.50 -0.05 0.00 -0.04 0.00 0.00 33.50 30.52 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 4.91 4.37 -0.14 1.53 2.01 -1.26 -4.96 118.68 125.13 1bsh s LEU 41 Ca 0.55 0.74 0.05 0.00 0.01 0.00 0.00 54.13 55.49 1bsh s LEU 41 Cb 0.04 -2.85 0.17 0.00 0.01 0.00 0.00 46.19 43.57 1bsh s LEU 41 CO 0.07 0.21 0.99 0.00 1.01 0.00 0.00 176.35 178.63 1bsh n LEU 42 N 1.07 -0.84 0.00 1.79 -0.00 -1.26 -2.34 117.00 115.42 1bsh n LEU 42 Ca -0.10 -2.03 0.00 0.00 -0.00 0.00 0.00 56.01 53.88 1bsh n LEU 42 Cb 0.52 0.27 0.00 0.00 -0.00 0.00 0.00 43.42 44.22 1bsh n LEU 42 CO 0.41 1.35 0.00 0.35 -0.00 0.00 0.00 177.39 179.50 1bsh n THR 43 N -0.65 0.00 -3.11 1.47 -2.24 -1.26 -4.91 114.28 103.58 1bsh n THR 43 Ca -0.14 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1bsh n THR 43 Cb 0.67 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.91 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh s ALA 44 N -2.00 4.42 -0.09 6.98 0.00 -1.26 -2.03 121.76 127.78 1bsh s ALA 44 Ca 0.00 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.38 1bsh s ALA 44 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 1bsh s ALA 44 CO 0.00 -0.24 -0.11 -1.50 0.00 0.00 0.00 175.76 173.90 1bsh s ILE 45 N -2.33 3.27 0.52 0.00 1.10 -1.07 -4.70 121.20 117.98 1bsh s ILE 45 Ca 0.53 -0.62 -0.22 0.00 -0.51 0.00 0.00 60.65 59.83 1bsh s ILE 45 Cb -0.10 -2.33 -0.06 0.00 0.15 0.00 0.00 42.46 40.12 1bsh s ILE 45 CO 0.33 0.57 1.25 -1.59 -2.11 0.00 0.00 174.94 173.38 1bsh s LYS 46 N -0.34 3.39 0.12 3.50 0.00 -1.26 -4.34 119.74 120.80 1bsh s LYS 46 Ca 0.04 1.96 -0.30 0.00 0.00 0.00 0.00 55.97 57.67 1bsh s LYS 46 Cb -0.13 -2.27 -0.06 0.00 0.00 0.00 0.00 37.83 35.38 1bsh s LYS 46 CO 0.02 -0.91 1.04 -1.25 0.00 0.00 0.00 175.35 174.26 1bsh s PRO 47 N -2.89 4.61 0.00 1.78 0.04 -0.97 -4.78 135.00 132.80 1bsh s PRO 47 Ca 0.69 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1bsh s PRO 47 Cb -0.33 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.86 1bsh s PRO 47 CO 0.39 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.92 1bsh n GLY 48 N 2.37 -0.82 0.00 0.56 0.00 -1.09 -4.16 105.19 102.04 1bsh n GLY 48 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 2.35 -3.51 1.61 0.00 -1.14 -2.28 117.12 114.15 1bsh n MET 49 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 57.70 1bsh n MET 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1bsh n MET 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bsh s ILE 50 N 1.11 -0.37 0.26 3.17 -1.16 -0.72 -3.51 121.20 119.98 1bsh s ILE 50 Ca 0.00 0.00 0.09 0.00 -0.51 0.00 0.00 60.65 60.23 1bsh s ILE 50 Cb 0.00 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 42.03 1bsh s ILE 50 CO 0.00 0.00 0.04 -0.60 -2.81 0.00 0.00 174.94 171.57 1bsh s ARG 51 N 2.10 2.44 0.10 3.50 3.52 -0.25 -1.66 118.95 128.71 1bsh s ARG 51 Ca -0.05 -1.32 -0.17 0.00 -0.13 0.00 0.00 55.73 54.06 1bsh s ARG 51 Cb -0.06 -2.26 0.04 0.00 -1.56 0.00 0.00 34.95 31.11 1bsh s ARG 51 CO -0.17 0.38 0.42 -1.50 -0.81 0.00 0.00 175.30 173.62 1bsh s ILE 52 N -2.25 0.06 -0.26 4.11 2.07 -0.96 0.72 121.20 124.69 1bsh s ILE 52 Ca 0.31 -0.50 -0.03 0.00 -1.41 0.00 0.00 60.65 59.02 1bsh s ILE 52 Cb -0.07 -1.10 0.10 0.00 0.13 0.00 0.00 42.46 41.53 1bsh s ILE 52 CO 0.21 -0.27 0.17 -0.69 -1.91 0.00 0.00 174.94 172.45 1bsh s VAL 53 N -3.41 -0.17 0.92 4.00 1.01 -0.41 -2.30 120.40 120.04 1bsh s VAL 53 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1bsh s VAL 53 Cb 0.01 -0.89 0.07 0.00 0.00 0.00 0.00 36.38 35.57 1bsh s VAL 53 CO -0.09 -0.55 0.67 0.29 0.00 0.00 0.00 175.10 175.42 1bsh n LYS 54 N 5.28 -0.28 -0.29 2.72 5.02 -1.17 0.21 118.16 129.64 1bsh n LYS 54 Ca -0.05 -0.03 0.27 0.00 -2.02 0.00 0.00 58.31 56.48 1bsh n LYS 54 Cb 0.45 -2.04 0.49 0.00 -0.02 0.00 0.00 35.03 33.91 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1bsh n GLN 55 N -2.47 -0.04 0.00 1.97 0.00 -1.24 -4.17 117.38 111.42 1bsh n GLN 55 Ca 0.09 1.07 0.00 0.00 -0.00 0.00 0.00 57.00 58.15 1bsh n GLN 55 Cb 0.53 -1.97 0.00 0.00 0.00 0.00 0.00 30.24 28.80 1bsh n GLN 55 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1bsh n HIS 56 N -4.64 0.00 -0.09 3.69 1.44 -1.26 -4.86 115.22 109.50 1bsh n HIS 56 Ca 0.31 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.02 1bsh n HIS 56 Cb 1.09 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.20 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1bsh n GLY 57 N 5.00 -2.95 0.30 -1.39 0.00 -1.26 -4.93 105.19 99.96 1bsh n GLY 57 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.52 -0.14 -4.91 1.61 -0.00 -1.26 -4.22 115.22 104.78 1bsh n HIS 58 Ca 0.00 0.08 -0.26 0.00 -0.00 0.00 0.00 57.72 57.54 1bsh n HIS 58 Cb 0.00 -1.81 -0.15 0.00 -0.00 0.00 0.00 29.99 28.03 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 -3.44 1.56 0.13 1.57 2.02 -1.26 -3.06 118.70 116.23 1bsh s GLU 59 Ca 0.00 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.31 1bsh s GLU 59 Cb 0.00 -1.54 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 1bsh s GLU 59 CO 0.00 0.42 0.00 -1.21 0.02 0.00 0.00 175.26 174.49 1bsh s GLU 60 N -0.57 2.48 -0.07 1.61 8.01 -0.97 -4.93 118.70 124.26 1bsh s GLU 60 Ca 0.08 -0.97 0.04 0.00 0.01 0.00 0.00 54.97 54.13 1bsh s GLU 60 Cb -0.08 -2.46 0.00 0.00 -4.31 0.00 0.00 34.13 27.29 1bsh s GLU 60 CO -0.00 0.50 -0.19 -0.06 0.01 0.00 0.00 175.26 175.52 1bsh s PHE 61 N -1.51 1.98 0.25 1.61 0.40 -1.26 -2.26 117.98 117.19 1bsh s PHE 61 Ca 0.27 -0.70 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1bsh s PHE 61 Cb -0.10 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.08 1bsh s PHE 61 CO 0.18 -0.28 0.36 -0.89 0.70 0.00 0.00 175.22 175.30 1bsh n ILE 62 N 3.41 0.00 -3.64 0.64 5.41 -0.67 -3.61 119.36 120.91 1bsh n ILE 62 Ca -0.20 -1.22 -0.06 0.00 1.00 0.00 0.00 62.75 62.27 1bsh n ILE 62 Cb 0.52 0.77 -0.07 0.00 -0.71 0.00 0.00 39.64 40.16 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 -3.59 -0.90 0.00 1.39 6.14 -1.26 -1.76 117.35 117.38 1bsh s TYR 63 Ca 0.20 1.82 0.00 0.00 0.64 0.00 0.00 57.07 59.73 1bsh s TYR 63 Cb -0.01 0.53 0.00 0.00 0.42 0.00 0.00 41.96 42.90 1bsh s TYR 63 CO 0.14 -0.44 0.00 1.47 0.64 0.00 0.00 175.55 177.36 1bsh n LEU 64 N 3.99 0.00 0.00 6.97 -0.00 -0.97 -1.85 117.00 125.14 1bsh n LEU 64 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.82 1bsh n LEU 64 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1bsh n LEU 64 CO -0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 177.39 176.19 1bsh n SER 65 N -1.17 0.00 -4.82 1.45 7.64 -1.26 -2.69 113.62 112.77 1bsh n SER 65 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1bsh n SER 65 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1bsh n SER 65 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bsh s GLY 66 N -0.58 1.73 0.00 0.23 0.00 -1.26 -2.28 107.32 105.16 1bsh s GLY 66 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1bsh s GLY 66 CO 0.00 -1.18 0.00 0.61 0.00 0.00 0.00 173.10 172.53 1bsh n GLY 67 N -0.33 -1.65 3.19 0.20 0.00 -1.26 -2.75 105.19 102.58 1bsh n GLY 67 Ca -0.08 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.67 1.84 0.13 -0.61 1.01 -0.76 -2.61 121.20 117.53 1bsh s ILE 68 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1bsh s ILE 68 Cb 0.00 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1bsh s ILE 68 CO 0.00 0.51 0.07 0.00 0.00 0.00 0.00 174.94 175.52 1bsh n LEU 69 N 3.37 0.00 0.00 2.97 -0.00 -0.86 -1.63 117.00 120.85 1bsh n LEU 69 Ca -0.19 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.09 1bsh n LEU 69 Cb 0.53 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1bsh n LEU 69 CO 0.27 -0.27 0.00 1.21 -0.00 0.00 0.00 177.39 178.60 1bsh n GLU 70 N -0.67 0.00 -4.33 1.47 2.13 -0.18 -4.23 120.64 114.84 1bsh n GLU 70 Ca -0.02 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.46 1bsh n GLU 70 Cb 0.16 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.76 1bsh n GLU 70 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1bsh s VAL 71 N -1.25 4.16 0.45 6.31 0.11 -0.99 -1.72 120.40 127.47 1bsh s VAL 71 Ca 0.00 -0.27 0.05 0.00 -2.93 0.00 0.00 61.98 58.82 1bsh s VAL 71 Cb 0.00 -2.81 -0.05 0.00 -1.53 0.00 0.00 36.38 31.99 1bsh s VAL 71 CO 0.00 0.52 0.01 -1.10 -3.33 0.00 0.00 175.10 171.20 1bsh s GLN 72 N 0.04 2.06 -0.44 1.54 -0.21 0.34 -4.88 119.66 118.11 1bsh s GLN 72 Ca 0.02 -2.22 -0.29 0.00 0.02 0.00 0.00 55.36 52.89 1bsh s GLN 72 Cb -0.13 -1.61 0.02 0.00 1.00 0.00 0.00 33.01 32.29 1bsh s GLN 72 CO 0.02 -0.18 1.22 -1.25 -2.12 0.00 0.00 175.29 172.98 1bsh s PRO 73 N -3.79 3.70 -0.03 2.91 0.04 -1.26 -3.17 135.00 133.41 1bsh s PRO 73 Ca 0.23 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.00 1bsh s PRO 73 Cb 0.06 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1bsh s PRO 73 CO 0.12 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1bsh n GLY 74 N 4.84 0.47 3.65 0.56 0.00 -1.26 -4.96 105.19 108.49 1bsh n GLY 74 Ca 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.18 -0.01 0.42 1.61 4.22 -1.19 -3.31 114.94 114.50 1bsh s ASN 75 Ca 0.00 0.01 0.04 0.00 -2.14 0.00 0.00 52.86 50.77 1bsh s ASN 75 Cb 0.00 0.01 -0.02 0.00 1.28 0.00 0.00 41.25 42.52 1bsh s ASN 75 CO 0.00 -0.01 0.13 0.68 -2.04 0.00 0.00 177.10 175.87 1bsh s VAL 76 N -0.85 0.57 0.15 3.54 -7.23 -0.19 -0.50 120.40 115.88 1bsh s VAL 76 Ca 0.10 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.03 1bsh s VAL 76 Cb -0.02 -2.30 0.07 0.00 0.56 0.00 0.00 36.38 34.70 1bsh s VAL 76 CO -0.10 0.00 0.64 -0.89 -0.31 0.00 0.00 175.10 174.44 1bsh s THR 77 N -3.17 0.00 -0.30 5.32 2.01 -0.70 -1.39 115.64 117.41 1bsh s THR 77 Ca 0.22 -0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1bsh s THR 77 Cb 0.02 -1.05 0.18 0.00 0.01 0.00 0.00 72.50 71.66 1bsh s THR 77 CO 0.14 0.00 1.36 0.54 -0.69 0.00 0.00 174.62 175.97 1bsh s VAL 78 N -3.68 0.00 0.15 3.82 0.11 -0.32 -1.01 120.40 119.47 1bsh s VAL 78 Ca 0.02 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.16 1bsh s VAL 78 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 1bsh s VAL 78 CO -0.12 0.00 -0.20 -0.76 -3.33 0.00 0.00 175.10 170.69 1bsh s LEU 79 N 0.21 2.39 0.16 2.54 1.02 -0.64 -0.95 118.68 123.41 1bsh s LEU 79 Ca 0.05 -0.80 -0.06 0.00 0.02 0.00 0.00 54.13 53.33 1bsh s LEU 79 Cb -0.05 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.25 1bsh s LEU 79 CO -0.14 0.02 0.22 0.00 0.02 0.00 0.00 176.35 176.47 1bsh s ALA 80 N -1.69 0.35 -2.60 4.21 0.00 -0.45 -1.83 121.76 119.75 1bsh s ALA 80 Ca 0.13 -1.13 0.23 0.00 0.00 0.00 0.00 51.96 51.19 1bsh s ALA 80 Cb -0.07 0.93 0.36 0.00 0.00 0.00 0.00 23.12 24.34 1bsh s ALA 80 CO 0.06 -0.61 1.36 -3.47 0.00 0.00 0.00 175.76 173.11 1bsh n ASP 81 N -0.20 3.36 -4.43 0.00 2.03 -1.11 -0.99 116.55 115.22 1bsh n ASP 81 Ca -0.05 -1.99 -0.27 0.00 0.52 0.00 0.00 54.79 52.99 1bsh n ASP 81 Cb 0.63 -0.19 -0.12 0.00 -0.72 0.00 0.00 41.12 40.73 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1bsh s THR 82 N -1.61 2.39 -0.30 5.18 2.01 -1.26 -4.41 115.64 117.64 1bsh s THR 82 Ca 0.36 -1.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.29 1bsh s THR 82 Cb 0.22 -2.14 0.17 0.00 0.01 0.00 0.00 72.50 70.77 1bsh s THR 82 CO 0.31 -0.08 0.91 0.00 -0.69 0.00 0.00 174.62 175.06 1bsh s ALA 83 N -1.58 -2.88 -0.19 7.40 0.00 -1.23 -4.42 121.76 118.87 1bsh s ALA 83 Ca 0.20 1.76 0.05 0.00 0.00 0.00 0.00 51.96 53.97 1bsh s ALA 83 Cb -0.08 -2.26 -0.15 0.00 0.00 0.00 0.00 23.12 20.63 1bsh s ALA 83 CO 0.10 -1.25 -0.12 -0.89 0.00 0.00 0.00 175.76 173.60 1bsh n ILE 84 N 5.32 1.13 -2.34 0.00 -0.00 -0.77 -4.97 119.36 117.72 1bsh n ILE 84 Ca -0.06 -0.50 -0.04 0.00 -0.00 0.00 0.00 62.75 62.15 1bsh n ILE 84 Cb 0.52 -1.04 0.02 0.00 -0.00 0.00 0.00 39.64 39.14 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 -2.95 -1.53 0.00 0.38 0.63 -1.26 -3.95 116.66 107.98 1bsh n ARG 85 Ca -0.33 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1bsh n ARG 85 Cb 0.91 -3.27 0.00 0.00 0.45 0.00 0.00 32.46 30.55 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 -1.02 1.71 2.64 5.14 0.00 -1.24 -0.90 105.19 111.52 1bsh n GLY 86 Ca -0.06 0.57 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 1bsh n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLN 87 N 0.00 5.13 -0.34 1.61 10.64 -1.26 -4.63 117.38 128.53 1bsh n GLN 87 Ca 0.00 -4.42 0.22 0.00 -1.83 0.00 0.00 57.00 50.97 1bsh n GLN 87 Cb 0.00 -2.47 0.47 0.00 -0.86 0.00 0.00 30.24 27.38 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 4.15 0.52 -2.53 2.61 3.58 -1.14 -3.40 116.42 120.20 1bsh h ASP 88 Ca 0.56 0.13 0.07 0.00 0.42 0.00 0.00 57.03 58.21 1bsh h ASP 88 Cb 0.30 0.05 -0.23 0.00 1.72 0.00 0.00 39.33 41.17 1bsh h ASP 88 CO 1.23 0.03 0.12 -0.22 -2.88 0.00 0.00 179.24 177.52 1bsh s LEU 89 N -10.01 -0.82 0.37 2.28 2.96 -1.26 -5.13 118.68 107.07 1bsh s LEU 89 Ca -0.10 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 1bsh s LEU 89 Cb 0.27 2.12 0.00 0.00 0.50 0.00 0.00 46.19 49.08 1bsh s LEU 89 CO 0.80 -0.19 0.00 -0.67 -1.32 0.00 0.00 176.35 174.97 1bsh n ASP 90 N 4.37 -7.13 0.00 3.68 2.03 -1.26 -4.74 116.55 113.50 1bsh n ASP 90 Ca -0.17 0.76 0.00 0.00 0.52 0.00 0.00 54.79 55.89 1bsh n ASP 90 Cb 0.56 -4.03 0.00 0.00 -0.72 0.00 0.00 41.12 36.94 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1bsh n GLU 91 N -3.81 2.03 0.01 -0.67 1.02 -1.26 -4.69 120.64 113.27 1bsh n GLU 91 Ca -0.02 -0.12 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1bsh n GLU 91 Cb 0.65 -0.50 0.21 0.00 -0.02 0.00 0.00 31.44 31.77 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 92 N -0.33 3.45 0.41 0.62 0.00 -1.26 -3.78 120.51 119.62 1bsh n ALA 92 Ca 0.00 -0.34 0.12 0.00 0.00 0.00 0.00 53.44 53.22 1bsh n ALA 92 Cb 0.05 -1.11 0.25 0.00 0.00 0.00 0.00 19.45 18.64 1bsh n ALA 92 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bsh h ARG 93 N 0.00 0.00 -0.00 0.00 2.43 -1.85 -3.14 114.38 111.82 1bsh h ARG 93 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bsh h ARG 93 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1bsh h ARG 93 CO 0.00 0.00 -0.40 0.00 -1.51 0.00 0.00 179.97 178.06 1bsh n ALA 94 N -1.95 3.37 0.92 2.80 0.00 -1.25 -3.67 120.51 120.74 1bsh n ALA 94 Ca 0.04 -0.38 0.13 0.00 0.00 0.00 0.00 53.44 53.23 1bsh n ALA 94 Cb 0.48 -1.11 0.39 0.00 0.00 0.00 0.00 19.45 19.21 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 -1.11 0.05 0.17 0.00 2.81 -1.19 -3.54 117.12 114.32 1bsh n MET 95 Ca 0.08 0.03 0.04 0.00 -1.81 0.00 0.00 57.70 56.04 1bsh n MET 95 Cb 0.34 -1.54 0.26 0.00 -0.71 0.00 0.00 33.22 31.56 1bsh n MET 95 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1bsh h GLU 96 N 0.00 0.00 0.00 0.03 4.81 -1.71 -2.65 114.58 115.07 1bsh h GLU 96 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bsh h GLU 96 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1bsh h GLU 96 CO 0.00 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 1bsh n ALA 97 N -2.30 2.49 -0.08 2.92 0.00 -1.23 -2.46 120.51 119.85 1bsh n ALA 97 Ca -0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1bsh n ALA 97 Cb 0.57 -1.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1bsh n ALA 97 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bsh h LYS 98 N 0.00 0.00 0.00 0.00 3.64 -1.67 -3.25 116.57 115.29 1bsh h LYS 98 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1bsh h LYS 98 Cb 0.09 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1bsh h LYS 98 CO 0.00 0.62 -0.69 -0.09 -2.27 0.00 0.00 179.45 177.02 1bsh h ARG 99 N -1.00 0.00 0.00 1.90 2.43 -1.68 -2.90 114.38 113.13 1bsh h ARG 99 Ca -0.10 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1bsh h ARG 99 Cb 0.79 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1bsh h ARG 99 CO -0.06 0.69 -0.04 0.87 -1.51 0.00 0.00 179.97 179.92 1bsh h LYS 100 N 0.00 0.00 0.00 0.20 1.79 -1.64 -1.36 116.57 115.56 1bsh h LYS 100 Ca -0.01 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 1bsh h LYS 100 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.90 1bsh h LYS 100 CO 0.09 0.04 -0.45 0.00 -1.08 0.00 0.00 179.45 178.06 1bsh h ALA 101 N 1.96 0.79 0.00 3.86 0.00 -1.54 -3.24 119.26 121.08 1bsh h ALA 101 Ca -0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1bsh h ALA 101 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1bsh h ALA 101 CO 0.01 0.25 -0.40 1.49 0.00 0.00 0.00 179.25 180.59 1bsh h GLU 102 N 0.00 0.00 0.00 0.00 4.81 -1.28 -2.16 114.58 115.95 1bsh h GLU 102 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bsh h GLU 102 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1bsh h GLU 102 CO 0.02 0.40 -0.02 1.49 -0.73 0.00 0.00 179.01 180.18 1bsh h GLU 103 N 0.00 0.00 0.00 1.92 4.22 -1.58 -3.15 114.58 115.99 1bsh h GLU 103 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1bsh h GLU 103 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1bsh h GLU 103 CO 0.05 0.00 -0.90 0.45 -2.18 0.00 0.00 179.01 176.43 1bsh h HIS 104 N 0.00 0.00 -0.06 0.92 3.86 -1.49 -3.28 115.15 115.11 1bsh h HIS 104 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bsh h HIS 104 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 1bsh h HIS 104 CO 0.00 0.03 0.00 -0.89 0.86 0.00 0.00 177.93 177.93 1bsh n ILE 105 N -2.74 0.08 -0.17 2.45 5.41 -0.91 -4.15 119.36 119.33 1bsh n ILE 105 Ca 0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 62.75 63.59 1bsh n ILE 105 Cb 0.56 -0.06 0.02 0.00 -0.71 0.00 0.00 39.64 39.46 1bsh n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1bsh h SER 106 N 0.70 -0.82 -1.28 4.38 0.02 -1.68 -3.38 113.55 111.49 1bsh h SER 106 Ca 0.00 0.19 -0.71 0.00 -0.84 0.00 0.00 61.79 60.43 1bsh h SER 106 Cb 0.15 0.45 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 1bsh h SER 106 CO 0.00 -0.26 1.13 -0.24 -1.14 0.00 0.00 176.83 176.32 1bsh n SER 107 N -5.42 2.22 -3.68 3.07 2.88 -1.26 -4.91 113.62 106.53 1bsh n SER 107 Ca 0.04 0.81 -0.15 0.00 -1.33 0.00 0.00 58.87 58.25 1bsh n SER 107 Cb 0.33 -1.17 -0.08 0.00 -0.75 0.00 0.00 64.21 62.54 1bsh n SER 107 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bsh s SER 108 N 5.08 -0.38 0.29 -3.46 1.04 -1.26 -4.89 113.70 110.12 1bsh s SER 108 Ca 1.04 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.87 1bsh s SER 108 Cb -1.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1bsh s SER 108 CO 0.59 -0.46 0.00 1.57 0.98 0.00 0.00 173.24 175.92 1bsh n HIS 109 N 1.37 -3.81 0.00 5.02 -0.00 -1.26 -5.05 115.22 111.48 1bsh n HIS 109 Ca -0.20 1.00 0.00 0.00 0.46 0.00 0.00 57.72 58.99 1bsh n HIS 109 Cb 0.56 2.67 0.00 0.00 -0.12 0.00 0.00 29.99 33.11 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 110 N -1.47 0.41 5.20 1.57 0.00 -1.26 -4.92 105.19 104.71 1bsh n GLY 110 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 -1.10 1.61 8.00 -1.26 -1.74 116.55 122.06 1bsh n ASP 111 Ca 0.00 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.52 1bsh n ASP 111 Cb 0.00 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.00 1.19 0.00 2.53 0.24 -1.26 -4.25 118.33 116.78 1bsh n VAL 112 Ca 0.00 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1bsh n VAL 112 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N 0.23 0.00 0.17 -1.34 2.03 -0.71 -0.95 116.55 115.98 1bsh n ASP 113 Ca 0.12 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.56 1bsh n ASP 113 Cb 0.66 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.67 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1bsh h TYR 114 N 0.00 0.00 -0.20 -0.67 3.20 -1.90 -1.52 116.97 115.88 1bsh h TYR 114 Ca 0.00 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 1bsh h TYR 114 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 1bsh h TYR 114 CO 0.00 0.00 -0.60 0.00 -1.64 0.00 0.00 178.16 175.92 1bsh h ALA 115 N 2.08 0.56 0.00 1.82 0.00 -1.74 -2.77 119.26 119.21 1bsh h ALA 115 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1bsh h ALA 115 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bsh h ALA 115 CO 0.00 0.69 -0.22 0.94 0.00 0.00 0.00 179.25 180.67 1bsh n GLN 116 N -3.95 0.01 0.11 0.00 7.27 -0.12 -3.43 117.38 117.26 1bsh n GLN 116 Ca -0.04 0.01 0.10 0.00 0.07 0.00 0.00 57.00 57.13 1bsh n GLN 116 Cb 0.65 -1.51 0.01 0.00 2.41 0.00 0.00 30.24 31.79 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bsh h ALA 117 N 2.98 0.57 0.00 1.69 0.00 -1.31 -3.30 119.26 119.89 1bsh h ALA 117 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bsh h ALA 117 Cb 0.51 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bsh h ALA 117 CO 0.00 0.13 0.00 0.45 0.00 0.00 0.00 179.25 179.83 1bsh n SER 118 N -2.76 0.41 -0.06 0.00 2.88 -1.06 -1.46 113.62 111.57 1bsh n SER 118 Ca -0.01 0.65 -0.04 0.00 -1.33 0.00 0.00 58.87 58.14 1bsh n SER 118 Cb 0.59 -0.72 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh n ALA 119 N -1.69 0.42 -0.07 -1.46 0.00 -1.24 -2.83 120.51 113.65 1bsh n ALA 119 Ca 0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 53.44 52.95 1bsh n ALA 119 Cb 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.55 1bsh n ALA 119 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bsh h GLU 120 N -0.90 0.30 0.59 0.00 4.39 -1.70 0.20 114.58 117.46 1bsh h GLU 120 Ca 0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 1bsh h GLU 120 Cb 0.48 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1bsh h GLU 120 CO 0.00 0.20 -0.28 1.25 -1.16 0.00 0.00 179.01 179.02 1bsh h LEU 121 N 0.31 -0.67 -1.62 1.33 5.85 -1.48 -2.82 115.31 116.22 1bsh h LEU 121 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1bsh h LEU 121 Cb 0.01 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1bsh h LEU 121 CO -0.06 -0.27 0.16 0.00 -0.34 0.00 0.00 178.44 177.92 1bsh h ALA 122 N -1.17 1.12 0.04 1.25 0.00 -1.52 0.23 119.26 119.21 1bsh h ALA 122 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1bsh h ALA 122 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1bsh h ALA 122 CO 0.13 -0.12 -1.03 -0.22 0.00 0.00 0.00 179.25 178.00 1bsh h LYS 123 N 0.00 0.42 0.00 0.00 3.64 -0.35 -3.12 116.57 117.15 1bsh h LYS 123 Ca 0.00 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1bsh h LYS 123 Cb 0.31 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1bsh h LYS 123 CO 0.00 1.16 -0.22 0.00 -2.27 0.00 0.00 179.45 178.12 1bsh n ALA 124 N -2.56 2.56 1.07 5.00 0.00 0.03 -3.22 120.51 123.39 1bsh n ALA 124 Ca -0.08 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.37 1bsh n ALA 124 Cb 0.89 -1.36 0.36 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.09 0.00 0.15 0.00 2.08 -0.98 -3.75 119.36 114.77 1bsh n ILE 125 Ca 0.05 -0.02 0.01 0.00 0.56 0.00 0.00 62.75 63.34 1bsh n ILE 125 Cb 0.42 0.11 0.30 0.00 -0.75 0.00 0.00 39.64 39.72 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh h ALA 126 N 3.15 1.26 0.00 -1.39 0.00 -1.51 -2.04 119.26 118.73 1bsh h ALA 126 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bsh h ALA 126 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1bsh h ALA 126 CO 0.00 0.54 -0.36 -0.56 0.00 0.00 0.00 179.25 178.87 1bsh h GLN 127 N 0.05 0.00 0.01 0.00 3.07 -1.78 -2.93 115.11 113.54 1bsh h GLN 127 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.49 1bsh h GLN 127 Cb 0.75 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.27 1bsh h GLN 127 CO 0.06 0.00 -1.37 1.25 0.09 0.00 0.00 178.83 178.85 1bsh h LEU 128 N 0.00 0.03 0.09 0.06 5.85 -1.59 -2.87 115.31 116.88 1bsh h LEU 128 Ca 0.00 -0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.40 1bsh h LEU 128 Cb 0.89 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1bsh h LEU 128 CO 0.00 1.04 -1.33 -0.09 -0.34 0.00 0.00 178.44 177.72 1bsh h ARG 129 N 0.01 0.19 0.00 1.25 9.65 -1.45 -1.84 114.38 122.19 1bsh h ARG 129 Ca -0.16 -0.33 -0.09 0.00 -1.10 0.00 0.00 59.98 58.30 1bsh h ARG 129 Cb 1.90 0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 30.59 1bsh h ARG 129 CO 0.11 1.09 -0.42 -0.24 2.80 0.00 0.00 179.97 183.31 1bsh h VAL 130 N 0.05 0.83 0.00 0.20 3.04 -1.64 -2.84 116.25 115.90 1bsh h VAL 130 Ca -0.16 -1.83 -0.11 0.00 -1.01 0.00 0.00 66.70 63.58 1bsh h VAL 130 Cb 1.95 2.17 -0.02 0.00 -2.01 0.00 0.00 31.29 33.38 1bsh h VAL 130 CO 0.17 0.41 -1.35 0.00 -1.01 0.00 0.00 177.57 175.79 1bsh n ILE 131 N -3.35 0.96 0.09 3.17 3.06 -1.08 -3.76 119.36 118.45 1bsh n ILE 131 Ca 0.01 -0.64 -0.15 0.00 -2.50 0.00 0.00 62.75 59.46 1bsh n ILE 131 Cb 0.62 -0.57 -0.14 0.00 0.54 0.00 0.00 39.64 40.09 1bsh n ILE 131 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1bsh h GLU 132 N 0.00 0.24 -0.01 9.51 4.39 -1.31 -3.24 114.58 124.17 1bsh h GLU 132 Ca -0.12 -0.41 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1bsh h GLU 132 Cb 1.40 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1bsh h GLU 132 CO 0.03 1.17 0.00 1.47 -1.16 0.00 0.00 179.01 180.52 1bsh n LEU 133 N -3.49 0.70 -0.04 1.33 -0.00 -1.08 -3.45 117.00 110.98 1bsh n LEU 133 Ca -0.09 -0.24 0.15 0.00 -0.00 0.00 0.00 56.01 55.83 1bsh n LEU 133 Cb 1.02 -0.00 0.84 0.00 -0.00 0.00 0.00 43.42 45.28 1bsh n LEU 133 CO 0.53 0.12 1.05 0.35 -0.00 0.00 0.00 177.39 179.43 1bsh n THR 134 N -0.44 0.00 0.12 1.47 -2.24 -1.22 -3.27 114.28 108.69 1bsh n THR 134 Ca 0.21 -0.02 0.02 0.00 -2.27 0.00 0.00 64.05 61.99 1bsh n THR 134 Cb 0.22 -0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.04 1bsh n THR 134 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1bsh h LYS 135 N 0.18 0.00 -0.00 -0.78 5.09 -1.77 -3.22 116.57 116.07 1bsh h LYS 135 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1bsh h LYS 135 Cb 0.14 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.47 1bsh h LYS 135 CO 0.00 0.47 -0.41 1.17 -2.09 0.00 0.00 179.45 178.58 1bsh n LYS 136 N -3.15 0.15 -1.25 0.07 4.81 -1.20 -3.93 118.16 113.66 1bsh n LYS 136 Ca -0.00 -0.08 -0.30 0.00 -0.87 0.00 0.00 58.31 57.05 1bsh n LYS 136 Cb 0.76 -1.50 0.10 0.00 0.02 0.00 0.00 35.03 34.41 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 -1.35 6.00 0.12 3.14 0.00 -1.22 -5.21 120.51 122.01 1bsh n ALA 137 Ca 0.07 -3.13 0.01 0.00 0.00 0.00 0.00 53.44 50.39 1bsh n ALA 137 Cb 0.34 -1.65 0.01 0.00 0.00 0.00 0.00 19.45 18.15 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17