#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 -1.76 0.00 0.00 0.00 -1.26 -4.90 117.12 109.20 1bsh n MET 2 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 57.70 57.96 1bsh n MET 2 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 33.22 29.38 1bsh n MET 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1bsh n THR 3 N -4.54 0.00 -2.54 2.03 5.66 -1.26 -4.75 114.28 108.88 1bsh n THR 3 Ca -0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1bsh n THR 3 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n TYR 4 N 0.00 -0.29 -4.75 1.09 0.18 0.26 -4.79 117.16 108.87 1bsh n TYR 4 Ca 0.00 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.47 1bsh n TYR 4 Cb 0.00 0.00 -0.13 0.00 -0.38 0.00 0.00 39.34 38.83 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 1.40 2.49 0.12 -3.48 5.65 -0.98 -0.02 115.29 120.47 1bsh s HIS 5 Ca 0.00 -0.30 0.02 0.00 0.25 0.00 0.00 55.06 55.03 1bsh s HIS 5 Cb 0.00 -1.45 -0.04 0.00 -1.18 0.00 0.00 32.58 29.91 1bsh s HIS 5 CO 0.00 0.21 -0.04 -0.48 -0.65 0.00 0.00 174.74 173.77 1bsh s LEU 6 N -1.34 2.37 -0.34 8.88 0.05 -0.89 0.15 118.68 127.57 1bsh s LEU 6 Ca 0.14 -1.06 0.02 0.00 0.05 0.00 0.00 54.13 53.28 1bsh s LEU 6 Cb -0.10 -0.06 0.15 0.00 -2.05 0.00 0.00 46.19 44.13 1bsh s LEU 6 CO 0.04 -0.50 0.38 -0.62 -0.55 0.00 0.00 176.35 175.10 1bsh s ASP 7 N -3.08 0.94 -0.38 1.48 -1.08 0.34 -2.66 116.67 112.23 1bsh s ASP 7 Ca 0.16 -1.09 -0.14 0.00 -0.52 0.00 0.00 52.55 50.95 1bsh s ASP 7 Cb 0.05 0.75 0.00 0.00 -1.46 0.00 0.00 42.92 42.27 1bsh s ASP 7 CO -0.02 -0.30 0.28 0.54 0.52 0.00 0.00 175.17 176.19 1bsh s VAL 8 N 1.90 5.26 0.18 1.11 0.11 -0.90 -1.48 120.40 126.58 1bsh s VAL 8 Ca 0.14 -0.46 0.08 0.00 -2.93 0.00 0.00 61.98 58.81 1bsh s VAL 8 Cb -0.14 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.83 1bsh s VAL 8 CO -0.16 -0.19 -0.17 0.68 -3.33 0.00 0.00 175.10 171.93 1bsh s VAL 9 N 1.72 1.81 -0.46 2.04 -7.23 -1.14 -3.98 120.40 113.16 1bsh s VAL 9 Ca 0.06 -2.02 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1bsh s VAL 9 Cb -0.18 -1.91 0.18 0.00 0.56 0.00 0.00 36.38 35.03 1bsh s VAL 9 CO 0.10 -0.40 0.64 -0.55 -0.31 0.00 0.00 175.10 174.58 1bsh s SER 10 N -2.89 -1.08 -1.89 4.85 0.15 -1.26 -2.81 113.70 108.76 1bsh s SER 10 Ca 0.18 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.33 1bsh s SER 10 Cb -0.04 1.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 1bsh s SER 10 CO 0.07 -0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.40 1bsh n ALA 11 N 3.53 -0.35 0.00 5.45 0.00 -1.26 -4.68 120.51 123.20 1bsh n ALA 11 Ca 0.16 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1bsh n ALA 11 Cb 0.55 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1bsh n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 12 N -2.35 0.00 -1.56 0.00 0.28 -1.26 -5.07 120.64 110.68 1bsh n GLU 12 Ca -0.19 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.61 1bsh n GLU 12 Cb 0.62 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.42 1bsh n GLU 12 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1bsh n GLN 13 N 0.00 0.68 -2.67 3.44 7.27 -1.26 -4.52 117.38 120.31 1bsh n GLN 13 Ca 0.00 -0.61 -0.06 0.00 0.07 0.00 0.00 57.00 56.40 1bsh n GLN 13 Cb 0.00 -3.58 0.10 0.00 2.41 0.00 0.00 30.24 29.18 1bsh n GLN 13 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1bsh n GLN 14 N 8.81 1.08 0.03 3.69 7.27 -1.26 -4.99 117.38 132.01 1bsh n GLN 14 Ca 0.45 -1.59 0.00 0.00 0.07 0.00 0.00 57.00 55.92 1bsh n GLN 14 Cb 0.45 0.02 0.00 0.00 2.41 0.00 0.00 30.24 33.12 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1bsh n MET 15 N -0.69 0.00 -3.63 3.69 2.81 -1.26 -5.02 117.12 113.02 1bsh n MET 15 Ca -0.08 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.78 1bsh n MET 15 Cb 0.82 -0.09 -0.06 0.00 -0.71 0.00 0.00 33.22 33.18 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1bsh s PHE 16 N -2.00 -0.73 -0.36 2.03 5.36 -1.26 -4.96 117.98 116.06 1bsh s PHE 16 Ca 0.00 1.45 0.05 0.00 -0.96 0.00 0.00 56.93 57.47 1bsh s PHE 16 Cb 0.00 0.44 0.19 0.00 -0.34 0.00 0.00 43.02 43.31 1bsh s PHE 16 CO 0.00 -0.36 0.66 -1.54 -1.46 0.00 0.00 175.22 172.51 1bsh s SER 17 N 1.52 -1.45 0.00 6.13 1.04 -1.26 -2.12 113.70 117.55 1bsh s SER 17 Ca -0.09 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1bsh s SER 17 Cb -0.04 1.87 0.00 0.00 0.10 0.00 0.00 66.02 67.95 1bsh s SER 17 CO -0.17 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1bsh n GLY 18 N 4.77 -0.58 3.66 7.32 0.00 -1.09 -5.03 105.19 114.25 1bsh n GLY 18 Ca 0.08 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 1.70 0.00 0.99 1.43 -1.26 -2.09 118.68 119.45 1bsh s LEU 19 Ca 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1bsh s LEU 19 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1bsh s LEU 19 CO 0.00 -3.16 0.00 0.55 0.23 0.00 0.00 176.35 173.97 1bsh n VAL 20 N -4.21 0.00 0.00 -1.59 3.14 0.97 -4.30 118.33 112.34 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 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 -0.11 0.00 -3.37 1.45 2.13 -1.02 0.93 120.64 120.66 1bsh n GLU 21 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 1bsh n GLU 21 Cb 0.00 -0.13 -0.03 0.00 0.27 0.00 0.00 31.44 31.55 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 -1.92 3.35 -4.01 5.31 0.00 -1.16 -4.17 118.16 115.56 1bsh n LYS 22 Ca 0.00 -4.52 -0.32 0.00 0.00 0.00 0.00 58.31 53.48 1bsh n LYS 22 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 35.03 32.51 1bsh n LYS 22 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1bsh s ILE 23 N -1.84 4.94 -0.10 3.15 -4.36 -1.16 -1.25 121.20 120.59 1bsh s ILE 23 Ca 0.31 -0.46 -0.04 0.00 -0.26 0.00 0.00 60.65 60.19 1bsh s ILE 23 Cb -0.03 -3.33 0.05 0.00 1.25 0.00 0.00 42.46 40.40 1bsh s ILE 23 CO -0.04 0.24 0.22 -1.58 0.24 0.00 0.00 174.94 174.02 1bsh s GLN 24 N -2.12 0.16 -0.15 0.37 0.74 -0.42 -1.44 119.66 116.80 1bsh s GLN 24 Ca 0.28 0.54 -0.06 0.00 0.05 0.00 0.00 55.36 56.18 1bsh s GLN 24 Cb -0.12 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.82 1bsh s GLN 24 CO 0.20 -0.20 0.04 0.08 -0.55 0.00 0.00 175.29 174.86 1bsh s VAL 25 N 1.55 4.64 -0.09 1.34 1.01 -1.21 -1.92 120.40 125.74 1bsh s VAL 25 Ca -0.06 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 61.85 1bsh s VAL 25 Cb -0.11 -3.05 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1bsh s VAL 25 CO -0.08 0.51 -0.18 -0.89 0.00 0.00 0.00 175.10 174.47 1bsh s THR 26 N -0.04 1.59 0.00 3.92 2.01 -0.65 -1.64 115.64 120.82 1bsh s THR 26 Ca 0.05 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1bsh s THR 26 Cb -0.12 -1.40 0.00 0.00 0.01 0.00 0.00 72.50 70.98 1bsh s THR 26 CO 0.01 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1bsh n GLY 27 N 3.72 3.57 0.00 4.40 0.00 -1.26 -2.47 105.19 113.15 1bsh n GLY 27 Ca -0.21 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 1.87 -3.68 1.61 3.41 -1.26 -4.96 113.62 110.61 1bsh n SER 28 Ca 0.00 -0.12 -0.15 0.00 -0.26 0.00 0.00 58.87 58.34 1bsh n SER 28 Cb 0.00 1.49 -0.08 0.00 -0.26 0.00 0.00 64.21 65.37 1bsh n SER 28 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1bsh s GLU 29 N -2.78 0.79 0.00 4.33 2.12 -1.26 -4.98 118.70 116.92 1bsh s GLU 29 Ca -0.03 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1bsh s GLU 29 Cb 0.08 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.83 1bsh s GLU 29 CO 0.52 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 1bsh n GLY 30 N 1.28 2.05 3.97 -1.50 0.00 -1.26 -5.01 105.19 104.72 1bsh n GLY 30 Ca -0.20 -0.39 0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 -1.53 -1.67 1.61 4.71 -1.26 -5.01 120.64 117.49 1bsh n GLU 31 Ca 0.00 1.01 0.00 0.00 -0.01 0.00 0.00 57.16 58.16 1bsh n GLU 31 Cb 0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 31.44 28.56 1bsh n GLU 31 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1bsh n LEU 32 N 0.00 -2.72 0.00 -4.62 4.77 -0.65 -4.70 117.00 109.08 1bsh n LEU 32 Ca 0.01 3.19 0.00 0.00 -0.03 0.00 0.00 56.01 59.17 1bsh n LEU 32 Cb 0.35 -3.14 0.00 0.00 -2.33 0.00 0.00 43.42 38.30 1bsh n LEU 32 CO 0.01 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1bsh n GLY 33 N -0.75 -0.01 3.40 -0.72 0.00 -1.15 -3.28 105.19 102.69 1bsh n GLY 33 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 1.20 0.01 0.46 -0.61 -1.09 -0.52 -4.81 121.20 115.84 1bsh s ILE 34 Ca 0.00 -0.04 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1bsh s ILE 34 Cb 0.00 -0.73 -0.02 0.00 -1.58 0.00 0.00 42.46 40.13 1bsh s ILE 34 CO 0.00 -0.02 0.06 -0.72 -1.23 0.00 0.00 174.94 173.03 1bsh s TYR 35 N 0.01 1.86 -1.20 3.97 1.13 -1.26 -3.00 117.35 118.86 1bsh s TYR 35 Ca -0.02 -1.09 -0.19 0.00 -1.41 0.00 0.00 57.07 54.35 1bsh s TYR 35 Cb -0.03 -1.41 -0.03 0.00 -1.10 0.00 0.00 41.96 39.39 1bsh s TYR 35 CO 0.02 -0.00 1.92 -0.35 -2.51 0.00 0.00 175.55 174.62 1bsh n PRO 36 N -1.08 2.34 0.00 -3.49 -0.04 -1.26 -3.23 135.00 128.24 1bsh n PRO 36 Ca -0.12 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.68 1bsh n PRO 36 Cb 0.66 -3.43 0.00 0.00 -0.04 0.00 0.00 33.50 30.69 1bsh n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 37 N 5.14 0.23 3.90 0.55 0.00 -1.26 -4.92 105.19 108.83 1bsh n GLY 37 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.16 1bsh n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1bsh s HIS 38 N -0.41 3.56 1.23 1.61 2.46 -1.20 -5.08 115.29 117.46 1bsh s HIS 38 Ca 0.00 0.43 -0.18 0.00 0.47 0.00 0.00 55.06 55.78 1bsh s HIS 38 Cb 0.00 -1.88 0.26 0.00 -0.13 0.00 0.00 32.58 30.83 1bsh s HIS 38 CO 0.00 0.66 0.58 0.00 -2.47 0.00 0.00 174.74 173.51 1bsh n ALA 39 N 1.15 -3.38 -2.50 1.58 0.00 -1.26 -4.85 120.51 111.25 1bsh n ALA 39 Ca -0.12 -1.44 -0.42 0.00 0.00 0.00 0.00 53.44 51.45 1bsh n ALA 39 Cb 0.53 -1.46 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 1bsh n ALA 39 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1bsh s PRO 40 N -4.18 3.46 -0.26 0.00 0.04 -1.26 -5.00 135.00 127.79 1bsh s PRO 40 Ca 0.57 0.37 -0.11 0.00 0.04 0.00 0.00 61.00 61.88 1bsh s PRO 40 Cb -0.13 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 1bsh s PRO 40 CO 0.54 -1.75 0.17 -1.17 0.04 0.00 0.00 177.00 174.83 1bsh s LEU 41 N 5.33 4.06 -0.44 -3.56 1.98 -1.26 -5.00 118.68 119.78 1bsh s LEU 41 Ca 0.47 0.05 0.07 0.00 -2.89 0.00 0.00 54.13 51.83 1bsh s LEU 41 Cb -0.09 -2.11 0.24 0.00 0.66 0.00 0.00 46.19 44.89 1bsh s LEU 41 CO 0.26 0.01 0.53 0.18 -1.89 0.00 0.00 176.35 175.44 1bsh n LEU 42 N 4.66 0.74 0.00 -0.68 4.77 -1.26 -2.79 117.00 122.44 1bsh n LEU 42 Ca -0.15 -4.78 0.00 0.00 -0.03 0.00 0.00 56.01 51.05 1bsh n LEU 42 Cb 0.52 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 1bsh n LEU 42 CO 0.34 2.03 0.00 0.35 -1.33 0.00 0.00 177.39 178.78 1bsh n THR 43 N 1.53 0.00 -3.25 -5.08 -2.24 -1.23 -5.06 114.28 98.95 1bsh n THR 43 Ca 0.24 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.84 1bsh n THR 43 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 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 4.38 0.00 6.98 0.00 -1.26 -2.75 121.76 127.11 1bsh s ALA 44 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.40 1bsh s ALA 44 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1bsh s ALA 44 CO 0.00 -0.15 0.00 -0.89 0.00 0.00 0.00 175.76 174.72 1bsh n ILE 45 N -1.74 0.00 -3.68 0.00 5.41 -1.11 -4.64 119.36 113.60 1bsh n ILE 45 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.75 1bsh n ILE 45 Cb 0.59 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.50 1bsh n ILE 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1bsh s LYS 46 N 3.95 0.93 -0.16 0.38 1.02 -1.26 -4.63 119.74 119.97 1bsh s LYS 46 Ca 0.00 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 1bsh s LYS 46 Cb 0.00 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.64 1bsh s LYS 46 CO 0.00 -0.42 1.08 -1.25 -0.92 0.00 0.00 175.35 173.83 1bsh s PRO 47 N -3.05 4.32 0.00 -1.68 0.04 0.25 -3.80 135.00 131.08 1bsh s PRO 47 Ca 0.11 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1bsh s PRO 47 Cb -0.00 -3.61 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1bsh s PRO 47 CO -0.01 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.92 1bsh n GLY 48 N 3.29 -0.62 3.91 0.56 0.00 -0.55 -4.72 105.19 107.04 1bsh n GLY 48 Ca 0.11 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.31 2.33 -0.29 1.61 0.23 -1.03 -2.77 119.30 119.06 1bsh s MET 49 Ca 0.00 -1.84 -0.15 0.00 -1.03 0.00 0.00 55.69 52.67 1bsh s MET 49 Cb 0.00 -2.24 0.12 0.00 -1.53 0.00 0.00 34.83 31.18 1bsh s MET 49 CO 0.00 -0.53 0.82 -1.50 -2.03 0.00 0.00 175.02 171.78 1bsh s ILE 50 N -2.68 -0.25 0.43 3.16 2.07 -1.00 -1.64 121.20 121.29 1bsh s ILE 50 Ca 0.42 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.73 1bsh s ILE 50 Cb -0.03 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.57 1bsh s ILE 50 CO 0.25 0.00 0.58 -0.13 -1.91 0.00 0.00 174.94 173.74 1bsh s ARG 51 N 1.88 2.83 0.10 3.50 0.52 -0.81 -1.79 118.95 125.18 1bsh s ARG 51 Ca -0.08 -1.15 -0.25 0.00 -0.52 0.00 0.00 55.73 53.72 1bsh s ARG 51 Cb -0.06 -2.73 0.08 0.00 0.52 0.00 0.00 34.95 32.75 1bsh s ARG 51 CO -0.18 -0.29 0.67 -1.50 0.02 0.00 0.00 175.30 174.02 1bsh s ILE 52 N -2.38 0.00 -0.28 1.52 2.07 -0.89 -1.30 121.20 119.93 1bsh s ILE 52 Ca 0.54 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.74 1bsh s ILE 52 Cb -0.10 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.59 1bsh s ILE 52 CO 0.33 0.00 0.12 -0.69 -1.91 0.00 0.00 174.94 172.80 1bsh s VAL 53 N -3.21 0.02 0.92 4.00 1.01 -0.38 -1.01 120.40 121.75 1bsh s VAL 53 Ca -0.00 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1bsh s VAL 53 Cb -0.01 -1.02 0.12 0.00 0.00 0.00 0.00 36.38 35.47 1bsh s VAL 53 CO -0.09 -0.69 0.98 2.29 0.00 0.00 0.00 175.10 177.59 1bsh n LYS 54 N 5.21 -0.40 -0.32 2.72 2.85 -1.25 -2.42 118.16 124.55 1bsh n LYS 54 Ca -0.06 -0.06 0.01 0.00 -1.05 0.00 0.00 58.31 57.16 1bsh n LYS 54 Cb 0.43 -2.26 0.07 0.00 -0.65 0.00 0.00 35.03 32.62 1bsh n LYS 54 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1bsh h GLN 55 N -1.79 -0.03 -6.80 -1.58 -0.00 -1.82 -3.40 115.11 99.70 1bsh h GLN 55 Ca -0.43 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 57.87 1bsh h GLN 55 Cb 1.27 0.01 0.20 0.00 0.00 0.00 0.00 27.48 28.96 1bsh h GLN 55 CO 0.40 -0.02 -0.19 0.72 0.00 0.00 0.00 178.83 179.74 1bsh n HIS 56 N -5.52 -3.20 -2.73 3.99 8.25 -1.26 -4.81 115.22 109.94 1bsh n HIS 56 Ca 0.11 -0.58 -0.43 0.00 -0.26 0.00 0.00 57.72 56.56 1bsh n HIS 56 Cb 0.42 -1.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.12 1bsh n HIS 56 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bsh s GLY 57 N -2.78 1.88 0.00 -1.41 0.00 -1.26 -4.88 107.32 98.87 1bsh s GLY 57 Ca 0.62 -2.97 0.00 0.00 0.00 0.00 0.00 44.72 42.37 1bsh s GLY 57 CO 0.54 2.43 0.00 1.57 0.00 0.00 0.00 173.10 177.64 1bsh n HIS 58 N 7.36 -0.66 -3.63 1.90 -0.00 -1.26 -5.07 115.22 113.86 1bsh n HIS 58 Ca 0.40 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.48 1bsh n HIS 58 Cb 0.46 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.26 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1bsh s GLU 59 N -1.28 0.58 0.38 1.57 -1.05 -1.26 -3.89 118.70 113.75 1bsh s GLU 59 Ca 0.00 0.60 0.08 0.00 -0.15 0.00 0.00 54.97 55.50 1bsh s GLU 59 Cb 0.00 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 33.91 1bsh s GLU 59 CO 0.00 -0.09 0.07 -1.21 0.95 0.00 0.00 175.26 174.98 1bsh s GLU 60 N 0.08 2.10 -0.12 -4.83 0.41 -0.18 -4.93 118.70 111.22 1bsh s GLU 60 Ca 0.02 -1.86 -0.00 0.00 -0.41 0.00 0.00 54.97 52.72 1bsh s GLU 60 Cb -0.04 -1.88 0.03 0.00 -1.78 0.00 0.00 34.13 30.45 1bsh s GLU 60 CO -0.04 0.01 -0.07 -0.06 -0.49 0.00 0.00 175.26 174.61 1bsh s PHE 61 N -2.59 1.55 0.46 1.61 0.40 -1.26 -2.10 117.98 116.05 1bsh s PHE 61 Ca 0.37 -0.82 0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1bsh s PHE 61 Cb 0.03 -1.26 -0.01 0.00 0.51 0.00 0.00 43.02 42.29 1bsh s PHE 61 CO 0.20 -0.54 0.10 0.42 0.70 0.00 0.00 175.22 176.10 1bsh s ILE 62 N 1.69 0.66 -0.27 0.64 1.09 -0.74 -2.17 121.20 122.10 1bsh s ILE 62 Ca 0.04 -2.00 -0.26 0.00 -1.10 0.00 0.00 60.65 57.33 1bsh s ILE 62 Cb -0.13 -2.17 0.16 0.00 -1.06 0.00 0.00 42.46 39.26 1bsh s ILE 62 CO -0.08 0.00 1.24 -0.47 -0.10 0.00 0.00 174.94 175.52 1bsh s TYR 63 N -3.07 -0.23 0.35 3.97 6.14 -1.26 -2.37 117.35 120.87 1bsh s TYR 63 Ca 0.14 0.53 -0.01 0.00 0.64 0.00 0.00 57.07 58.37 1bsh s TYR 63 Cb 0.01 0.44 -0.00 0.00 0.42 0.00 0.00 41.96 42.83 1bsh s TYR 63 CO 0.10 -0.14 0.46 -0.48 0.64 0.00 0.00 175.55 176.13 1bsh s LEU 64 N -0.19 1.12 -0.09 6.97 2.34 -1.11 -2.31 118.68 125.40 1bsh s LEU 64 Ca 0.05 -1.54 0.15 0.00 0.06 0.00 0.00 54.13 52.85 1bsh s LEU 64 Cb -0.04 1.37 -0.22 0.00 -0.56 0.00 0.00 46.19 46.74 1bsh s LEU 64 CO -0.09 -1.28 0.19 -1.54 -1.06 0.00 0.00 176.35 172.57 1bsh n SER 65 N -1.47 1.25 0.00 1.48 3.41 -1.26 -1.49 113.62 115.54 1bsh n SER 65 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1bsh n SER 65 Cb 0.62 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.84 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 1.84 -0.49 0.00 5.00 0.00 -1.25 0.85 105.19 111.14 1bsh n GLY 66 Ca -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.82 -0.31 2.96 -0.02 0.00 -1.26 -3.35 105.19 102.39 1bsh n GLY 67 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.40 -0.04 -0.19 -0.61 1.09 -0.97 -2.77 121.20 116.31 1bsh s ILE 68 Ca 0.00 0.16 -0.04 0.00 -1.10 0.00 0.00 60.65 59.67 1bsh s ILE 68 Cb 0.00 -0.28 -0.02 0.00 -1.06 0.00 0.00 42.46 41.10 1bsh s ILE 68 CO 0.00 0.07 -0.02 -1.48 -0.10 0.00 0.00 174.94 173.41 1bsh s LEU 69 N 1.16 3.21 -0.08 2.97 0.05 -1.11 -2.09 118.68 122.78 1bsh s LEU 69 Ca -0.09 -0.20 0.03 0.00 0.05 0.00 0.00 54.13 53.92 1bsh s LEU 69 Cb -0.11 -1.80 0.01 0.00 -2.05 0.00 0.00 46.19 42.24 1bsh s LEU 69 CO -0.06 0.09 -0.17 -0.70 -0.55 0.00 0.00 176.35 174.96 1bsh s GLU 70 N 0.84 2.25 0.17 1.48 2.12 -0.98 -3.55 118.70 121.03 1bsh s GLU 70 Ca -0.00 -0.60 0.02 0.00 0.36 0.00 0.00 54.97 54.75 1bsh s GLU 70 Cb -0.14 -1.79 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 1bsh s GLU 70 CO 0.02 0.06 0.32 0.54 -0.54 0.00 0.00 175.26 175.66 1bsh s VAL 71 N 0.62 5.29 0.23 3.70 0.11 -1.12 -2.38 120.40 126.84 1bsh s VAL 71 Ca -0.15 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.26 1bsh s VAL 71 Cb -0.16 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1bsh s VAL 71 CO 0.05 -0.14 0.13 -1.10 -3.33 0.00 0.00 175.10 170.71 1bsh s GLN 72 N -3.35 1.32 -1.34 1.54 -0.21 0.98 -4.88 119.66 113.72 1bsh s GLN 72 Ca 0.35 -1.71 -0.16 0.00 0.02 0.00 0.00 55.36 53.87 1bsh s GLN 72 Cb -0.11 0.10 0.01 0.00 1.00 0.00 0.00 33.01 34.02 1bsh s GLN 72 CO 0.29 -0.38 2.11 -0.35 -2.12 0.00 0.00 175.29 174.83 1bsh n PRO 73 N -0.36 2.69 0.00 2.91 -0.04 -1.26 -3.28 135.00 135.66 1bsh n PRO 73 Ca 0.02 -2.60 0.00 0.00 -0.04 0.00 0.00 63.50 60.88 1bsh n PRO 73 Cb 0.66 -3.28 0.00 0.00 -0.04 0.00 0.00 33.50 30.83 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 4.40 0.49 3.82 0.55 0.00 -1.26 -5.10 105.19 108.08 1bsh n GLY 74 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 -0.19 -0.04 0.17 1.61 4.22 -1.20 -2.32 114.94 117.19 1bsh s ASN 75 Ca 0.00 -0.33 -0.23 0.00 -2.14 0.00 0.00 52.86 50.16 1bsh s ASN 75 Cb 0.00 0.29 0.06 0.00 1.28 0.00 0.00 41.25 42.88 1bsh s ASN 75 CO 0.00 -0.55 0.68 0.54 -2.04 0.00 0.00 177.10 175.72 1bsh s VAL 76 N -2.34 0.00 -0.06 3.54 0.11 0.40 -0.02 120.40 122.03 1bsh s VAL 76 Ca 0.21 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.72 1bsh s VAL 76 Cb 0.00 -1.26 0.06 0.00 -1.53 0.00 0.00 36.38 33.65 1bsh s VAL 76 CO 0.00 0.00 0.63 -0.89 -3.33 0.00 0.00 175.10 171.51 1bsh s THR 77 N -3.69 0.01 0.08 5.04 2.01 -1.00 0.13 115.64 118.21 1bsh s THR 77 Ca 0.04 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1bsh s THR 77 Cb -0.02 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1bsh s THR 77 CO -0.07 -0.03 -0.07 0.68 -0.69 0.00 0.00 174.62 174.43 1bsh s VAL 78 N -1.11 0.65 -0.21 3.82 -7.23 -0.55 -2.31 120.40 113.46 1bsh s VAL 78 Ca -0.11 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1bsh s VAL 78 Cb -0.01 -1.37 0.05 0.00 0.56 0.00 0.00 36.38 35.61 1bsh s VAL 78 CO 0.09 -0.73 -0.08 -0.76 -0.31 0.00 0.00 175.10 173.31 1bsh s LEU 79 N -2.62 2.30 0.25 1.32 1.43 -0.89 -2.87 118.68 117.61 1bsh s LEU 79 Ca 0.05 -0.97 0.10 0.00 -1.03 0.00 0.00 54.13 52.28 1bsh s LEU 79 Cb 0.01 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 45.02 1bsh s LEU 79 CO -0.03 -0.19 -0.03 0.00 0.23 0.00 0.00 176.35 176.33 1bsh s ALA 80 N 1.43 3.11 -0.09 4.21 0.00 -1.12 -2.28 121.76 127.01 1bsh s ALA 80 Ca -0.03 -1.64 -0.27 0.00 0.00 0.00 0.00 51.96 50.03 1bsh s ALA 80 Cb -0.17 -0.74 -0.25 0.00 0.00 0.00 0.00 23.12 21.96 1bsh s ALA 80 CO -0.07 0.30 0.94 0.22 0.00 0.00 0.00 175.76 177.15 1bsh h ASP 81 N 2.06 0.10 -6.14 0.00 1.82 -1.90 -3.39 116.42 108.97 1bsh h ASP 81 Ca -0.44 -0.84 -0.44 0.00 -0.39 0.00 0.00 57.03 54.91 1bsh h ASP 81 Cb 1.24 -0.03 0.01 0.00 0.68 0.00 0.00 39.33 41.23 1bsh h ASP 81 CO 0.60 0.93 -0.10 1.07 -1.61 0.00 0.00 179.24 180.13 1bsh n THR 82 N -4.59 0.00 -2.83 2.25 5.66 -1.26 -4.62 114.28 108.89 1bsh n THR 82 Ca -0.10 -1.76 -0.01 0.00 -3.05 0.00 0.00 64.05 59.14 1bsh n THR 82 Cb 0.47 -0.47 0.01 0.00 -1.55 0.00 0.00 70.33 68.79 1bsh n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh s ALA 83 N -2.63 -3.67 -0.98 1.79 0.00 -1.26 -4.59 121.76 110.42 1bsh s ALA 83 Ca 0.48 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 1bsh s ALA 83 Cb -0.04 -2.90 0.30 0.00 0.00 0.00 0.00 23.12 20.48 1bsh s ALA 83 CO 0.31 -2.41 1.41 -0.89 0.00 0.00 0.00 175.76 174.18 1bsh n ILE 84 N 3.42 4.93 -1.45 0.00 -0.00 -0.98 -4.99 119.36 120.30 1bsh n ILE 84 Ca 0.10 -5.83 -0.48 0.00 -0.00 0.00 0.00 62.75 56.55 1bsh n ILE 84 Cb 0.61 -1.94 -0.03 0.00 -0.00 0.00 0.00 39.64 38.28 1bsh n ILE 84 CO 0.00 0.00 0.00 -2.11 -0.00 0.00 0.00 176.55 174.44 1bsh n ARG 85 N 0.89 0.30 -1.44 0.38 1.85 -1.26 -4.16 116.66 113.23 1bsh n ARG 85 Ca 0.31 0.11 -0.39 0.00 -1.00 0.00 0.00 57.85 56.87 1bsh n ARG 85 Cb 0.33 -1.22 0.03 0.00 -1.05 0.00 0.00 32.46 30.55 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1bsh n GLY 86 N 1.82 -1.68 2.45 2.89 0.00 -0.92 -0.14 105.19 109.61 1bsh n GLY 86 Ca 0.16 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1bsh n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bsh n GLN 87 N 0.31 -1.60 -0.33 1.61 6.02 -1.26 -4.81 117.38 117.31 1bsh n GLN 87 Ca 0.11 1.05 0.14 0.00 -0.01 0.00 0.00 57.00 58.29 1bsh n GLN 87 Cb 0.45 -5.56 0.29 0.00 1.02 0.00 0.00 30.24 26.44 1bsh n GLN 87 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1bsh h ASP 88 N 0.00 -0.43 0.00 1.08 2.03 -0.81 -3.42 116.42 114.87 1bsh h ASP 88 Ca -0.43 0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1bsh h ASP 88 Cb 1.31 0.46 0.00 0.00 -0.83 0.00 0.00 39.33 40.27 1bsh h ASP 88 CO 0.57 -0.33 0.00 0.18 -1.03 0.00 0.00 179.24 178.62 1bsh n LEU 89 N -5.46 -3.75 -4.83 0.15 4.77 -1.26 -5.03 117.00 101.58 1bsh n LEU 89 Ca 0.23 0.82 -0.29 0.00 -0.03 0.00 0.00 56.01 56.74 1bsh n LEU 89 Cb 0.75 3.53 0.14 0.00 -2.33 0.00 0.00 43.42 45.50 1bsh n LEU 89 CO -0.05 0.20 0.76 -1.81 -1.33 0.00 0.00 177.39 175.16 1bsh s ASP 90 N -2.02 3.53 0.00 -1.43 1.11 -1.26 -5.04 116.67 111.56 1bsh s ASP 90 Ca 0.00 0.74 0.00 0.00 0.18 0.00 0.00 52.55 53.47 1bsh s ASP 90 Cb 0.00 -1.16 0.00 0.00 1.07 0.00 0.00 42.92 42.83 1bsh s ASP 90 CO 0.00 -2.52 0.00 -0.62 1.18 0.00 0.00 175.17 173.21 1bsh n GLU 91 N -3.71 0.00 0.22 8.23 1.02 -1.26 -4.61 120.64 120.53 1bsh n GLU 91 Ca 0.09 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1bsh n GLU 91 Cb 0.60 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.34 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh h ALA 92 N 0.74 1.00 0.00 0.62 0.00 -1.97 -2.91 119.26 116.74 1bsh h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bsh h ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 1bsh n ARG 93 N -2.98 0.13 0.00 0.00 0.63 -1.26 -2.52 116.66 110.66 1bsh n ARG 93 Ca 0.03 0.06 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 1bsh n ARG 93 Cb 0.46 -1.50 0.28 0.00 0.45 0.00 0.00 32.46 32.15 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bsh n ALA 94 N -1.42 3.42 0.21 5.13 0.00 -1.10 -3.77 120.51 122.98 1bsh n ALA 94 Ca 0.08 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.24 1bsh n ALA 94 Cb 0.26 -1.12 0.34 0.00 0.00 0.00 0.00 19.45 18.93 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 0.41 0.00 -0.11 0.00 2.86 -1.64 -2.74 114.93 113.71 1bsh h MET 95 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1bsh h MET 95 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1bsh h MET 95 CO 0.00 0.24 0.00 0.39 1.06 0.00 0.00 176.91 178.60 1bsh n GLU 96 N -3.29 1.42 0.03 1.72 1.02 -1.25 -3.41 120.64 116.87 1bsh n GLU 96 Ca 0.01 -0.63 0.12 0.00 -0.02 0.00 0.00 57.16 56.64 1bsh n GLU 96 Cb 0.50 -1.31 0.19 0.00 -0.02 0.00 0.00 31.44 30.80 1bsh n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 97 N -0.12 3.31 0.16 0.62 0.00 -1.03 -3.56 120.51 119.88 1bsh n ALA 97 Ca 0.13 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.26 1bsh n ALA 97 Cb 0.20 -1.11 0.25 0.00 0.00 0.00 0.00 19.45 18.78 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 0.03 0.00 3.64 -1.74 0.92 116.57 119.43 1bsh h LYS 98 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1bsh h LYS 98 Cb 0.62 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.40 1bsh h LYS 98 CO 0.00 0.52 -1.79 0.54 -2.27 0.00 0.00 179.45 176.45 1bsh n ARG 99 N -3.85 0.67 0.00 1.90 1.74 -1.25 -3.78 116.66 112.09 1bsh n ARG 99 Ca -0.01 0.29 0.13 0.00 -0.77 0.00 0.00 57.85 57.49 1bsh n ARG 99 Cb 0.54 -1.77 0.44 0.00 -1.02 0.00 0.00 32.46 30.65 1bsh n ARG 99 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bsh n LYS 100 N -3.16 0.27 0.01 5.56 5.02 -1.19 -3.67 118.16 120.99 1bsh n LYS 100 Ca -0.21 -0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 55.87 1bsh n LYS 100 Cb 1.05 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.43 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh h ALA 101 N 3.23 0.62 -0.14 7.82 0.00 -0.93 -3.33 119.26 126.54 1bsh h ALA 101 Ca 0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 54.91 53.50 1bsh h ALA 101 Cb 0.47 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1bsh h ALA 101 CO 0.00 1.46 -0.44 1.49 0.00 0.00 0.00 179.25 181.76 1bsh h GLU 102 N 0.01 0.33 -0.55 0.00 4.81 -1.65 -2.80 114.58 114.72 1bsh h GLU 102 Ca -0.21 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1bsh h GLU 102 Cb 1.95 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.30 1bsh h GLU 102 CO 0.10 0.71 0.37 0.93 -0.73 0.00 0.00 179.01 180.38 1bsh h GLU 103 N 0.27 0.69 0.00 1.92 5.08 -1.68 0.23 114.58 121.09 1bsh h GLU 103 Ca 0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1bsh h GLU 103 Cb 0.88 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1bsh h GLU 103 CO 0.07 0.46 -0.05 0.45 -1.00 0.00 0.00 179.01 178.94 1bsh h HIS 104 N 0.71 0.00 -0.33 4.33 3.86 -1.63 -2.87 115.15 119.21 1bsh h HIS 104 Ca 0.21 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1bsh h HIS 104 Cb -0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1bsh h HIS 104 CO -0.00 0.05 0.05 -0.89 0.86 0.00 0.00 177.93 178.00 1bsh n ILE 105 N -3.13 1.55 -2.32 2.45 5.41 0.06 -4.44 119.36 118.94 1bsh n ILE 105 Ca 0.02 -0.77 -0.40 0.00 1.00 0.00 0.00 62.75 62.60 1bsh n ILE 105 Cb 0.44 -0.44 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bsh n SER 106 N 0.22 7.44 -4.36 4.38 7.64 -1.09 -4.96 113.62 122.90 1bsh n SER 106 Ca 0.17 -3.75 -0.30 0.00 1.01 0.00 0.00 58.87 56.00 1bsh n SER 106 Cb 0.80 -1.13 -0.14 0.00 -1.01 0.00 0.00 64.21 62.73 1bsh n SER 106 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bsh s SER 107 N -1.20 3.24 -0.02 6.43 0.15 -1.26 -5.13 113.70 115.91 1bsh s SER 107 Ca 0.45 -0.62 0.04 0.00 0.70 0.00 0.00 55.95 56.52 1bsh s SER 107 Cb 0.30 -0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1bsh s SER 107 CO -0.25 0.24 -0.14 -0.94 1.20 0.00 0.00 173.24 173.35 1bsh s SER 108 N -1.45 1.69 0.04 5.45 1.04 -1.26 -4.70 113.70 114.51 1bsh s SER 108 Ca 0.12 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1bsh s SER 108 Cb -0.10 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.73 1bsh s SER 108 CO 0.03 0.15 0.00 1.41 0.98 0.00 0.00 173.24 175.81 1bsh n HIS 109 N 2.91 -0.64 0.00 5.02 8.25 -1.26 -5.13 115.22 124.37 1bsh n HIS 109 Ca -0.16 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1bsh n HIS 109 Cb 0.54 0.57 0.00 0.00 1.12 0.00 0.00 29.99 32.22 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 110 N 1.11 -1.65 3.79 -1.41 0.00 -1.26 -5.07 105.19 100.71 1bsh n GLY 110 Ca 0.00 0.76 -0.32 0.00 0.00 0.00 0.00 46.02 46.46 1bsh n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bsh s ASP 111 N -4.00 5.26 -1.49 1.61 1.11 -1.26 -3.21 116.67 114.68 1bsh s ASP 111 Ca 0.00 1.84 -0.18 0.00 0.18 0.00 0.00 52.55 54.38 1bsh s ASP 111 Cb 0.00 -2.53 0.18 0.00 1.07 0.00 0.00 42.92 41.64 1bsh s ASP 111 CO 0.00 -1.53 0.50 1.33 1.18 0.00 0.00 175.17 176.65 1bsh n VAL 112 N -2.63 -0.11 0.00 -1.27 0.24 -1.26 -4.85 118.33 108.44 1bsh n VAL 112 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1bsh n VAL 112 Cb 0.53 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.28 0.00 0.27 -1.34 2.03 -1.20 -3.79 116.55 110.24 1bsh n ASP 113 Ca 0.09 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.57 1bsh n ASP 113 Cb 0.47 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.57 1bsh n ASP 113 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1bsh h TYR 114 N 0.00 0.00 -0.44 -0.67 0.05 -1.84 -0.53 116.97 113.54 1bsh h TYR 114 Ca 0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 1bsh h TYR 114 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1bsh h TYR 114 CO 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 178.16 177.01 1bsh h ALA 115 N 2.03 0.61 0.00 3.88 0.00 -1.92 -1.47 119.26 122.39 1bsh h ALA 115 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1bsh h ALA 115 Cb 0.45 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1bsh h ALA 115 CO 0.00 0.50 -0.84 0.94 0.00 0.00 0.00 179.25 179.85 1bsh n GLN 116 N -4.28 0.40 0.08 0.00 -0.06 -0.99 -3.92 117.38 108.62 1bsh n GLN 116 Ca -0.00 0.08 -0.10 0.00 -2.00 0.00 0.00 57.00 54.97 1bsh n GLN 116 Cb 0.38 -1.72 -0.11 0.00 -4.06 0.00 0.00 30.24 24.73 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1bsh h ALA 117 N 2.34 0.29 -0.08 1.69 0.00 -0.95 -3.16 119.26 119.38 1bsh h ALA 117 Ca 0.00 -0.87 0.02 0.00 0.00 0.00 0.00 54.91 54.06 1bsh h ALA 117 Cb 0.83 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1bsh h ALA 117 CO 0.00 1.10 0.23 1.03 0.00 0.00 0.00 179.25 181.61 1bsh h SER 118 N 0.04 0.00 0.54 0.00 0.87 -1.39 0.11 113.55 113.72 1bsh h SER 118 Ca -0.06 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.23 1bsh h SER 118 Cb 1.80 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.71 1bsh h SER 118 CO 0.16 0.00 -1.63 0.00 -0.53 0.00 0.00 176.83 174.82 1bsh h ALA 119 N 1.61 0.75 -0.03 6.23 0.00 -1.76 -3.31 119.26 122.74 1bsh h ALA 119 Ca 0.04 -1.35 0.01 0.00 0.00 0.00 0.00 54.91 53.61 1bsh h ALA 119 Cb 0.50 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1bsh h ALA 119 CO -0.00 1.47 0.04 0.93 0.00 0.00 0.00 179.25 181.69 1bsh h GLU 120 N 0.00 0.00 0.00 0.00 4.39 -0.83 0.24 114.58 118.39 1bsh h GLU 120 Ca -0.26 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 1bsh h GLU 120 Cb 1.93 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.58 1bsh h GLU 120 CO 0.07 0.00 -0.30 1.25 -1.16 0.00 0.00 179.01 178.87 1bsh h LEU 121 N 0.00 0.00 0.00 1.33 6.46 -1.64 -3.29 115.31 118.17 1bsh h LEU 121 Ca 0.02 -0.79 0.00 0.00 -0.12 0.00 0.00 57.88 56.98 1bsh h LEU 121 Cb 0.10 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1bsh h LEU 121 CO -0.00 1.07 0.00 0.00 -0.62 0.00 0.00 178.44 178.89 1bsh n ALA 122 N -2.83 2.45 0.03 1.25 0.00 -0.99 -2.70 120.51 117.72 1bsh n ALA 122 Ca -0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.14 1bsh n ALA 122 Cb 0.49 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.57 1bsh n ALA 122 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1bsh h LYS 123 N 0.00 -0.16 0.00 0.00 3.64 -0.59 -3.06 116.57 116.40 1bsh h LYS 123 Ca 0.00 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1bsh h LYS 123 Cb 0.00 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1bsh h LYS 123 CO 0.00 -0.11 -0.04 0.00 -2.27 0.00 0.00 179.45 177.03 1bsh h ALA 124 N -1.22 0.98 0.00 5.00 0.00 -1.70 -2.99 119.26 119.33 1bsh h ALA 124 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bsh h ALA 124 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bsh h ALA 124 CO 0.03 0.05 0.00 -0.89 0.00 0.00 0.00 179.25 178.44 1bsh n ILE 125 N -3.12 0.58 -0.13 0.00 -0.00 -1.10 -3.15 119.36 112.45 1bsh n ILE 125 Ca 0.03 0.01 -0.12 0.00 -0.00 0.00 0.00 62.75 62.67 1bsh n ILE 125 Cb 0.51 -0.78 -0.02 0.00 -0.00 0.00 0.00 39.64 39.34 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bsh h ALA 126 N 2.57 0.54 0.00 -1.39 0.00 -1.41 -2.55 119.26 117.02 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 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1bsh h ALA 126 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.77 1bsh n GLN 127 N -4.23 0.22 0.13 0.00 -0.00 -1.19 -3.08 117.38 109.23 1bsh n GLN 127 Ca -0.02 0.03 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 1bsh n GLN 127 Cb 0.44 -1.50 0.05 0.00 -0.00 0.00 0.00 30.24 29.23 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1bsh h LEU 128 N 0.00 0.00 0.00 2.61 5.85 -1.50 -2.78 115.31 119.50 1bsh h LEU 128 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1bsh h LEU 128 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1bsh h LEU 128 CO 0.00 0.62 -1.19 -0.09 -0.34 0.00 0.00 178.44 177.44 1bsh h ARG 129 N 0.00 0.00 0.00 1.25 9.65 -1.55 -2.97 114.38 120.76 1bsh h ARG 129 Ca -0.01 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.75 1bsh h ARG 129 Cb 1.39 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.95 1bsh h ARG 129 CO 0.08 0.32 -0.61 -0.24 2.80 0.00 0.00 179.97 182.31 1bsh h VAL 130 N 0.00 0.96 0.00 0.20 3.04 -1.60 -3.14 116.25 115.71 1bsh h VAL 130 Ca -0.12 -2.36 -0.13 0.00 -1.01 0.00 0.00 66.70 63.08 1bsh h VAL 130 Cb 1.50 2.46 -0.02 0.00 -2.01 0.00 0.00 31.29 33.22 1bsh h VAL 130 CO 0.05 0.54 -1.36 0.00 -1.01 0.00 0.00 177.57 175.80 1bsh n ILE 131 N -3.22 1.03 -0.01 3.17 3.06 -1.05 -3.89 119.36 118.45 1bsh n ILE 131 Ca 0.01 -0.66 -0.16 0.00 -2.50 0.00 0.00 62.75 59.44 1bsh n ILE 131 Cb 0.77 -0.63 -0.10 0.00 0.54 0.00 0.00 39.64 40.22 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 0.38 0.00 9.51 4.39 -1.58 -3.09 114.58 124.19 1bsh h GLU 132 Ca -0.13 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1bsh h GLU 132 Cb 1.45 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1bsh h GLU 132 CO 0.03 1.03 0.00 1.47 -1.16 0.00 0.00 179.01 180.38 1bsh n LEU 133 N -4.31 0.14 -0.31 1.33 -0.00 -1.19 -2.99 117.00 109.68 1bsh n LEU 133 Ca -0.09 0.54 0.07 0.00 -0.00 0.00 0.00 56.01 56.52 1bsh n LEU 133 Cb 0.60 -0.52 0.22 0.00 -0.00 0.00 0.00 43.42 43.71 1bsh n LEU 133 CO 0.44 -0.36 1.14 0.71 -0.00 0.00 0.00 177.39 179.33 1bsh h THR 134 N 0.00 0.80 -0.89 1.47 1.35 -1.65 0.25 112.91 114.24 1bsh h THR 134 Ca 0.00 -0.25 0.14 0.00 -0.55 0.00 0.00 66.41 65.75 1bsh h THR 134 Cb 0.24 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.56 1bsh h THR 134 CO 0.00 0.13 0.50 0.11 -0.25 0.00 0.00 175.52 176.01 1bsh h LYS 135 N 0.74 0.70 -1.32 4.72 1.79 -1.74 0.84 116.57 122.30 1bsh h LYS 135 Ca 0.46 -0.04 -0.50 0.00 -2.18 0.00 0.00 60.65 58.39 1bsh h LYS 135 Cb 0.57 -0.16 -0.21 0.00 -1.58 0.00 0.00 32.23 30.85 1bsh h LYS 135 CO -0.32 0.46 0.64 1.63 -1.08 0.00 0.00 179.45 180.79 1bsh n LYS 136 N -4.80 2.25 -0.20 3.15 5.02 0.06 -4.25 118.16 119.39 1bsh n LYS 136 Ca 0.18 -2.43 0.10 0.00 -2.02 0.00 0.00 58.31 54.14 1bsh n LYS 136 Cb 0.43 -1.96 0.20 0.00 -0.02 0.00 0.00 35.03 33.68 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 137 N -0.23 2.36 1.45 7.82 0.00 0.29 -5.06 120.51 127.14 1bsh n ALA 137 Ca 0.46 -1.05 0.14 0.00 0.00 0.00 0.00 53.44 52.99 1bsh n ALA 137 Cb 0.60 -0.71 0.48 0.00 0.00 0.00 0.00 19.45 19.82 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17