#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 2.52 -3.49 0.00 -0.00 -1.26 -4.72 117.12 110.16 1bsh n MET 2 Ca 0.00 -3.04 -0.15 0.00 -0.00 0.00 0.00 57.70 54.50 1bsh n MET 2 Cb 0.00 -2.15 -0.04 0.00 -0.00 0.00 0.00 33.22 31.02 1bsh n MET 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1bsh s THR 3 N -3.23 0.00 0.00 3.17 -4.23 -1.26 -4.81 115.64 105.28 1bsh s THR 3 Ca 0.55 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.06 1bsh s THR 3 Cb 0.46 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 73.30 1bsh s THR 3 CO 0.10 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.18 1bsh n TYR 4 N 0.42 0.00 -4.11 3.99 4.11 -0.54 -4.81 117.16 116.22 1bsh n TYR 4 Ca -0.17 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.59 1bsh n TYR 4 Cb 0.60 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.83 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N 1.52 0.85 -0.05 -3.48 5.65 -1.24 -1.47 115.29 117.07 1bsh s HIS 5 Ca 0.00 -0.59 0.04 0.00 0.25 0.00 0.00 55.06 54.77 1bsh s HIS 5 Cb 0.00 -0.49 -0.02 0.00 -1.18 0.00 0.00 32.58 30.89 1bsh s HIS 5 CO 0.00 -0.06 -0.18 -1.17 -0.65 0.00 0.00 174.74 172.68 1bsh s LEU 6 N -1.98 2.53 -0.41 8.88 1.98 -0.67 -0.61 118.68 128.39 1bsh s LEU 6 Ca -0.03 -0.30 0.07 0.00 -2.89 0.00 0.00 54.13 50.98 1bsh s LEU 6 Cb -0.06 -1.50 0.23 0.00 0.66 0.00 0.00 46.19 45.52 1bsh s LEU 6 CO -0.00 0.31 0.54 -0.67 -1.89 0.00 0.00 176.35 174.63 1bsh n ASP 7 N 2.55 -0.52 -4.70 3.68 2.03 -0.62 -2.35 116.55 116.61 1bsh n ASP 7 Ca -0.17 -2.71 -0.35 0.00 0.52 0.00 0.00 54.79 52.08 1bsh n ASP 7 Cb 0.52 -0.20 -0.09 0.00 -0.72 0.00 0.00 41.12 40.63 1bsh n ASP 7 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1bsh s VAL 8 N -0.59 4.43 0.01 5.18 0.11 -0.61 -2.50 120.40 126.43 1bsh s VAL 8 Ca 0.34 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1bsh s VAL 8 Cb 0.14 -2.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.10 1bsh s VAL 8 CO -0.14 0.58 0.01 0.68 -3.33 0.00 0.00 175.10 172.89 1bsh s VAL 9 N -0.93 0.08 -0.29 2.04 -7.23 -1.11 -2.76 120.40 110.20 1bsh s VAL 9 Ca 0.14 -0.65 0.20 0.00 -1.81 0.00 0.00 61.98 59.86 1bsh s VAL 9 Cb -0.11 -0.23 0.48 0.00 0.56 0.00 0.00 36.38 37.07 1bsh s VAL 9 CO 0.04 -0.36 1.15 -1.54 -0.31 0.00 0.00 175.10 174.08 1bsh n SER 10 N 1.96 0.94 0.00 4.85 3.41 -1.26 -1.98 113.62 121.53 1bsh n SER 10 Ca -0.21 -2.23 0.00 0.00 -0.26 0.00 0.00 58.87 56.17 1bsh n SER 10 Cb 0.56 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsh n ALA 11 N -0.60 0.00 -2.45 7.33 0.00 -1.26 -4.49 120.51 119.04 1bsh n ALA 11 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 1bsh n ALA 11 Cb 0.82 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.29 1bsh n ALA 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bsh n GLU 12 N 0.00 2.66 -2.29 0.00 1.02 -1.26 -4.95 120.64 115.82 1bsh n GLU 12 Ca 0.00 -3.92 -0.06 0.00 -0.02 0.00 0.00 57.16 53.17 1bsh n GLU 12 Cb 0.00 -1.92 0.03 0.00 -0.02 0.00 0.00 31.44 29.53 1bsh n GLU 12 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1bsh n GLN 13 N -0.51 -0.95 -3.43 3.49 7.27 -1.26 -5.04 117.38 116.95 1bsh n GLN 13 Ca 0.27 0.51 -0.20 0.00 0.07 0.00 0.00 57.00 57.65 1bsh n GLN 13 Cb 0.83 -3.49 -0.11 0.00 2.41 0.00 0.00 30.24 29.88 1bsh n GLN 13 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1bsh s GLN 14 N -3.51 0.32 0.00 3.69 0.74 -1.26 -5.00 119.66 114.64 1bsh s GLN 14 Ca 0.17 -0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1bsh s GLN 14 Cb -0.02 -0.78 0.00 0.00 1.10 0.00 0.00 33.01 33.31 1bsh s GLN 14 CO 0.34 -1.04 0.00 -0.12 -0.55 0.00 0.00 175.29 173.92 1bsh n MET 15 N 5.21 0.00 -3.42 1.67 1.56 -1.25 -4.44 117.12 116.45 1bsh n MET 15 Ca -0.02 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.28 1bsh n MET 15 Cb 0.45 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.72 1bsh n MET 15 CO 0.00 0.00 0.00 0.12 -0.73 0.00 0.00 175.97 175.36 1bsh s PHE 16 N -0.19 -0.55 -0.41 1.12 5.36 -1.11 -4.98 117.98 117.21 1bsh s PHE 16 Ca 0.00 0.50 0.03 0.00 -0.96 0.00 0.00 56.93 56.50 1bsh s PHE 16 Cb 0.00 -0.18 0.16 0.00 -0.34 0.00 0.00 43.02 42.66 1bsh s PHE 16 CO 0.00 -0.68 0.31 -1.54 -1.46 0.00 0.00 175.22 171.85 1bsh s SER 17 N 2.44 2.18 0.00 6.13 1.04 -1.21 -1.58 113.70 122.70 1bsh s SER 17 Ca 0.10 -2.85 0.00 0.00 0.48 0.00 0.00 55.95 53.68 1bsh s SER 17 Cb -0.15 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.43 1bsh s SER 17 CO -0.15 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.47 1bsh n GLY 18 N 3.16 1.05 3.83 7.32 0.00 -0.99 -4.99 105.19 114.56 1bsh n GLY 18 Ca 0.23 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 3.75 0.01 0.99 1.43 -1.26 -1.68 118.68 121.93 1bsh s LEU 19 Ca 0.00 1.65 -0.16 0.00 -1.03 0.00 0.00 54.13 54.59 1bsh s LEU 19 Cb 0.00 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.72 1bsh s LEU 19 CO 0.00 -0.53 0.34 0.54 0.23 0.00 0.00 176.35 176.93 1bsh s VAL 20 N -2.41 0.06 -0.14 -1.59 0.11 -0.54 -2.28 120.40 113.62 1bsh s VAL 20 Ca 0.61 -0.52 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 1bsh s VAL 20 Cb -0.10 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 33.90 1bsh s VAL 20 CO 0.24 -0.29 -0.18 1.21 -3.33 0.00 0.00 175.10 172.75 1bsh n GLU 21 N 0.91 0.30 -3.67 1.54 2.13 -0.98 -1.46 120.64 119.40 1bsh n GLU 21 Ca -0.20 0.13 -0.09 0.00 0.66 0.00 0.00 57.16 57.66 1bsh n GLU 21 Cb 0.58 -1.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.20 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 -2.27 0.55 0.00 5.31 -2.85 -1.16 -4.65 119.74 114.67 1bsh s LYS 22 Ca -0.20 0.97 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 1bsh s LYS 22 Cb 0.07 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.92 1bsh s LYS 22 CO 0.25 -0.15 0.00 0.44 0.10 0.00 0.00 175.35 175.99 1bsh n ILE 23 N 4.16 0.00 0.00 3.79 -5.35 -1.13 -0.69 119.36 120.15 1bsh n ILE 23 Ca -0.21 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1bsh n ILE 23 Cb 0.57 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1bsh n ILE 23 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1bsh n GLN 24 N 0.00 0.00 -3.74 6.28 -0.06 0.55 -4.45 117.38 115.96 1bsh n GLN 24 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 57.00 54.64 1bsh n GLN 24 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 1bsh n GLN 24 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1bsh s VAL 25 N 0.00 5.41 -0.23 1.69 1.01 -1.21 -0.59 120.40 126.48 1bsh s VAL 25 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1bsh s VAL 25 Cb 0.00 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.95 1bsh s VAL 25 CO 0.00 0.50 -0.09 -0.89 0.00 0.00 0.00 175.10 174.62 1bsh s THR 26 N -0.20 1.77 0.15 3.92 2.01 -0.80 -3.76 115.64 118.72 1bsh s THR 26 Ca 0.13 -1.24 -0.20 0.00 0.31 0.00 0.00 61.69 60.68 1bsh s THR 26 Cb -0.12 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.55 1bsh s THR 26 CO 0.02 0.05 0.52 -0.83 -0.69 0.00 0.00 174.62 173.69 1bsh s GLY 27 N 1.31 -0.49 0.46 4.40 0.00 -1.10 -2.81 107.32 109.10 1bsh s GLY 27 Ca -0.04 0.29 0.12 0.00 0.00 0.00 0.00 44.72 45.08 1bsh s GLY 27 CO -0.07 -0.02 2.07 1.48 0.00 0.00 0.00 173.10 176.56 1bsh h SER 28 N 2.14 0.17 -2.81 1.64 4.64 -2.00 -3.18 113.55 114.16 1bsh h SER 28 Ca -0.34 -0.01 -0.80 0.00 -0.47 0.00 0.00 61.79 60.17 1bsh h SER 28 Cb 1.29 -0.04 -0.26 0.00 -0.31 0.00 0.00 62.40 63.07 1bsh h SER 28 CO 0.41 0.18 0.90 1.21 -0.87 0.00 0.00 176.83 178.66 1bsh n GLU 29 N -4.46 4.23 0.00 4.77 2.13 -1.26 -4.92 120.64 121.14 1bsh n GLU 29 Ca -0.01 -4.41 0.00 0.00 0.66 0.00 0.00 57.16 53.40 1bsh n GLU 29 Cb 0.13 -2.58 0.00 0.00 0.27 0.00 0.00 31.44 29.26 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1bsh n GLY 30 N 1.74 3.16 0.95 8.31 0.00 -1.20 -4.58 105.19 113.56 1bsh n GLY 30 Ca 0.28 -1.81 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.51 0.00 -4.25 1.61 -0.58 -1.26 -2.70 120.64 112.94 1bsh n GLU 31 Ca 0.00 -1.03 -0.25 0.00 -0.42 0.00 0.00 57.16 55.46 1bsh n GLU 31 Cb 0.00 0.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.92 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bsh s LEU 32 N 0.00 3.23 0.00 -4.62 1.43 -1.25 -4.78 118.68 112.69 1bsh s LEU 32 Ca 0.08 -0.52 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1bsh s LEU 32 Cb 0.10 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.48 1bsh s LEU 32 CO -0.04 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1bsh n GLY 33 N -0.44 0.44 3.41 -3.19 0.00 -1.26 -3.36 105.19 100.78 1bsh n GLY 33 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 3.14 -0.01 0.08 -0.61 -1.09 -1.26 -4.84 121.20 116.62 1bsh s ILE 34 Ca 0.00 0.03 0.02 0.00 -2.23 0.00 0.00 60.65 58.46 1bsh s ILE 34 Cb 0.00 -0.73 -0.01 0.00 -1.58 0.00 0.00 42.46 40.14 1bsh s ILE 34 CO 0.00 0.01 0.08 -1.22 -1.23 0.00 0.00 174.94 172.58 1bsh n TYR 35 N 3.42 -0.24 -2.13 3.97 4.02 -1.26 -2.83 117.16 122.10 1bsh n TYR 35 Ca -0.17 -0.70 -0.41 0.00 -0.01 0.00 0.00 57.90 56.62 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 -0.16 2.75 0.00 -0.72 -0.04 -1.26 -3.29 135.00 132.27 1bsh n PRO 36 Ca 0.02 -2.85 0.00 0.00 -0.04 0.00 0.00 63.50 60.63 1bsh n PRO 36 Cb 0.15 -3.42 0.00 0.00 -0.04 0.00 0.00 33.50 30.20 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 4.98 1.05 3.67 0.55 0.00 -1.26 -4.96 105.19 109.21 1bsh n GLY 37 Ca 0.49 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.68 2.05 0.96 1.61 2.46 -1.21 -4.95 115.29 114.54 1bsh s HIS 38 Ca 0.00 1.21 -0.13 0.00 0.47 0.00 0.00 55.06 56.61 1bsh s HIS 38 Cb 0.00 -3.19 0.06 0.00 -0.13 0.00 0.00 32.58 29.32 1bsh s HIS 38 CO 0.00 -2.80 0.50 0.00 -2.47 0.00 0.00 174.74 169.97 1bsh n ALA 39 N -4.16 -2.44 -2.29 1.58 0.00 -1.26 -4.80 120.51 107.15 1bsh n ALA 39 Ca 0.06 -0.66 -0.40 0.00 0.00 0.00 0.00 53.44 52.44 1bsh n ALA 39 Cb 0.55 -1.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.15 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -2.17 2.80 -3.76 0.00 -0.04 -1.26 -4.67 135.00 125.90 1bsh n PRO 40 Ca 0.07 -2.97 -0.32 0.00 -0.04 0.00 0.00 63.50 60.24 1bsh n PRO 40 Cb 0.54 -3.47 -0.05 0.00 -0.04 0.00 0.00 33.50 30.48 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 4.84 4.32 -0.05 1.53 2.01 -1.26 -4.96 118.68 125.10 1bsh s LEU 41 Ca 0.55 0.50 0.04 0.00 0.01 0.00 0.00 54.13 55.23 1bsh s LEU 41 Cb 0.05 -3.06 0.09 0.00 0.01 0.00 0.00 46.19 43.29 1bsh s LEU 41 CO 0.06 0.13 1.09 0.00 1.01 0.00 0.00 176.35 178.65 1bsh n LEU 42 N 0.40 -0.91 0.00 1.79 -0.00 -1.25 -2.46 117.00 114.57 1bsh n LEU 42 Ca -0.05 -2.19 0.00 0.00 -0.00 0.00 0.00 56.01 53.77 1bsh n LEU 42 Cb 0.52 0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 1bsh n LEU 42 CO 0.48 1.46 0.00 0.35 -0.00 0.00 0.00 177.39 179.68 1bsh n THR 43 N -0.20 0.00 -3.68 1.47 -2.24 -1.22 -4.85 114.28 103.56 1bsh n THR 43 Ca -0.24 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 1bsh n THR 43 Cb 0.76 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.90 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 3.65 -0.35 6.98 0.00 -1.26 -0.60 121.76 128.19 1bsh s ALA 44 Ca 0.00 -0.72 0.12 0.00 0.00 0.00 0.00 51.96 51.36 1bsh s ALA 44 Cb 0.00 -2.25 0.40 0.00 0.00 0.00 0.00 23.12 21.27 1bsh s ALA 44 CO 0.00 0.04 1.49 0.44 0.00 0.00 0.00 175.76 177.72 1bsh n ILE 45 N 3.77 0.00 -2.53 0.00 -6.64 -1.10 -4.93 119.36 107.93 1bsh n ILE 45 Ca -0.15 -1.10 -0.15 0.00 -1.77 0.00 0.00 62.75 59.58 1bsh n ILE 45 Cb 0.52 0.99 0.02 0.00 -1.44 0.00 0.00 39.64 39.73 1bsh n ILE 45 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1bsh n LYS 46 N -1.30 2.36 -2.55 6.28 5.02 -1.25 -4.85 118.16 121.86 1bsh n LYS 46 Ca -0.14 -3.82 -0.43 0.00 -2.02 0.00 0.00 58.31 51.90 1bsh n LYS 46 Cb 0.87 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1bsh n LYS 46 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1bsh n PRO 47 N -0.42 3.19 0.00 1.97 -0.04 -1.26 -1.76 135.00 136.68 1bsh n PRO 47 Ca 0.23 -3.27 0.00 0.00 -0.04 0.00 0.00 63.50 60.42 1bsh n PRO 47 Cb 0.80 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.79 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 5.28 -0.42 3.91 0.55 0.00 -0.62 -3.81 105.19 110.09 1bsh n GLY 48 Ca 0.49 -0.54 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.23 0.03 1.61 0.23 -1.12 -1.50 119.30 118.79 1bsh s MET 49 Ca 0.00 -2.08 -0.11 0.00 -1.03 0.00 0.00 55.69 52.47 1bsh s MET 49 Cb 0.00 -2.07 0.01 0.00 -1.53 0.00 0.00 34.83 31.24 1bsh s MET 49 CO 0.00 -0.68 0.24 -1.50 -2.03 0.00 0.00 175.02 171.04 1bsh s ILE 50 N -2.81 0.09 0.02 3.16 2.07 -1.09 -1.90 121.20 120.74 1bsh s ILE 50 Ca 0.32 -0.77 -0.07 0.00 -1.41 0.00 0.00 60.65 58.71 1bsh s ILE 50 Cb -0.02 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.70 1bsh s ILE 50 CO 0.20 -0.42 0.14 -0.60 -1.91 0.00 0.00 174.94 172.34 1bsh s ARG 51 N -2.36 0.56 0.19 3.50 3.00 0.24 -2.63 118.95 121.45 1bsh s ARG 51 Ca -0.07 -0.55 -0.12 0.00 -1.00 0.00 0.00 55.73 53.99 1bsh s ARG 51 Cb -0.02 0.23 0.00 0.00 0.00 0.00 0.00 34.95 35.16 1bsh s ARG 51 CO -0.03 -0.14 0.39 0.42 0.00 0.00 0.00 175.30 175.95 1bsh s ILE 52 N -1.98 0.04 -0.08 4.11 1.01 -1.09 0.21 121.20 123.42 1bsh s ILE 52 Ca -0.10 -1.24 -0.03 0.00 0.00 0.00 0.00 60.65 59.28 1bsh s ILE 52 Cb -0.04 -1.87 0.04 0.00 0.01 0.00 0.00 42.46 40.60 1bsh s ILE 52 CO -0.01 -0.17 0.12 -0.69 0.00 0.00 0.00 174.94 174.18 1bsh s VAL 53 N -3.96 -0.19 0.00 2.92 1.01 0.14 -2.87 120.40 117.46 1bsh s VAL 53 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.46 1bsh s VAL 53 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1bsh s VAL 53 CO 0.02 0.10 0.00 1.17 0.00 0.00 0.00 175.10 176.39 1bsh n LYS 54 N 5.31 0.00 0.00 2.72 4.81 -0.82 -2.33 118.16 127.85 1bsh n LYS 54 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1bsh n LYS 54 Cb 0.50 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1bsh n LYS 54 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1bsh n GLN 55 N 0.00 0.00 -0.00 1.64 3.00 -0.96 -3.71 117.38 117.35 1bsh n GLN 55 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.04 1bsh n GLN 55 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 1bsh n HIS 56 N 2.99 0.00 0.00 1.08 -0.00 -1.26 -4.81 115.22 113.21 1bsh n HIS 56 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1bsh n HIS 56 Cb 0.00 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 29.84 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bsh n GLY 57 N 1.32 0.28 1.52 1.57 0.00 -1.24 -5.10 105.19 103.55 1bsh n GLY 57 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bsh n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bsh n HIS 58 N 0.00 -0.48 -3.95 1.61 8.25 -1.26 -4.92 115.22 114.47 1bsh n HIS 58 Ca 0.00 0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.45 1bsh n HIS 58 Cb 0.00 0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.32 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 1bsh s GLU 59 N -1.35 1.22 0.02 -0.41 -1.05 -1.26 -1.95 118.70 113.92 1bsh s GLU 59 Ca 0.00 -1.17 0.05 0.00 -0.15 0.00 0.00 54.97 53.70 1bsh s GLU 59 Cb 0.00 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 34.07 1bsh s GLU 59 CO 0.00 -0.46 -0.15 -1.21 0.95 0.00 0.00 175.26 174.39 1bsh s GLU 60 N -3.97 1.08 -0.17 -4.83 2.02 -1.14 -4.98 118.70 106.72 1bsh s GLU 60 Ca 0.18 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.49 1bsh s GLU 60 Cb 0.03 -1.08 0.00 0.00 0.10 0.00 0.00 34.13 33.18 1bsh s GLU 60 CO 0.01 0.28 -0.16 -0.06 0.02 0.00 0.00 175.26 175.36 1bsh s PHE 61 N -0.64 2.79 0.00 1.61 0.40 -1.26 -2.66 117.98 118.22 1bsh s PHE 61 Ca 0.04 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.19 1bsh s PHE 61 Cb -0.07 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1bsh s PHE 61 CO 0.01 -0.56 0.00 -0.89 0.70 0.00 0.00 175.22 174.47 1bsh n ILE 62 N 4.25 0.00 -3.65 0.64 5.41 -1.08 -2.86 119.36 122.08 1bsh n ILE 62 Ca -0.19 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.55 1bsh n ILE 62 Cb 0.51 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.38 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 -0.81 -0.29 0.25 1.39 6.14 -1.26 -2.68 117.35 120.10 1bsh s TYR 63 Ca 0.00 0.59 0.12 0.00 0.64 0.00 0.00 57.07 58.42 1bsh s TYR 63 Cb 0.00 0.23 -0.05 0.00 0.42 0.00 0.00 41.96 42.56 1bsh s TYR 63 CO 0.00 -0.14 -0.20 -0.51 0.64 0.00 0.00 175.55 175.34 1bsh s LEU 64 N 0.97 2.59 -0.01 6.97 2.01 -0.56 -3.15 118.68 127.50 1bsh s LEU 64 Ca -0.06 -0.95 0.22 0.00 0.01 0.00 0.00 54.13 53.35 1bsh s LEU 64 Cb -0.03 -1.16 -0.31 0.00 0.01 0.00 0.00 46.19 44.69 1bsh s LEU 64 CO -0.12 0.06 0.53 -1.54 1.01 0.00 0.00 176.35 176.29 1bsh n SER 65 N -0.37 0.09 0.00 2.29 3.41 -1.19 -1.58 113.62 116.26 1bsh n SER 65 Ca -0.07 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1bsh n SER 65 Cb 0.59 1.86 0.00 0.00 -0.26 0.00 0.00 64.21 66.40 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 1.26 0.00 2.94 5.00 0.00 -0.72 -4.02 105.19 109.65 1bsh n GLY 66 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 -2.37 3.56 -0.02 0.00 -1.26 -4.65 105.19 100.45 1bsh n GLY 67 Ca 0.00 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.83 4.88 0.53 -0.61 1.09 -0.82 -2.70 121.20 120.74 1bsh s ILE 68 Ca 0.59 0.02 0.09 0.00 -1.10 0.00 0.00 60.65 60.24 1bsh s ILE 68 Cb -0.05 -3.28 0.06 0.00 -1.06 0.00 0.00 42.46 38.14 1bsh s ILE 68 CO 0.44 0.34 0.72 -0.76 -0.10 0.00 0.00 174.94 175.58 1bsh s LEU 69 N 1.30 3.30 -0.29 2.97 1.02 0.23 -1.74 118.68 125.48 1bsh s LEU 69 Ca 0.06 -0.66 -0.16 0.00 0.02 0.00 0.00 54.13 53.39 1bsh s LEU 69 Cb -0.15 -2.03 0.14 0.00 0.02 0.00 0.00 46.19 44.17 1bsh s LEU 69 CO 0.05 -1.15 0.96 -0.70 0.02 0.00 0.00 176.35 175.53 1bsh s GLU 70 N -4.58 0.39 -0.21 1.70 2.56 -0.73 -3.37 118.70 114.48 1bsh s GLU 70 Ca 0.60 0.70 -0.10 0.00 0.00 0.00 0.00 54.97 56.16 1bsh s GLU 70 Cb -0.07 0.11 -0.05 0.00 2.00 0.00 0.00 34.13 36.11 1bsh s GLU 70 CO 0.37 -0.09 0.14 0.54 -0.56 0.00 0.00 175.26 175.67 1bsh s VAL 71 N 1.44 5.40 0.48 3.70 0.11 -1.03 -2.06 120.40 128.43 1bsh s VAL 71 Ca -0.09 0.20 0.07 0.00 -2.93 0.00 0.00 61.98 59.24 1bsh s VAL 71 Cb -0.04 -3.48 0.02 0.00 -1.53 0.00 0.00 36.38 31.35 1bsh s VAL 71 CO -0.15 0.42 0.48 -1.10 -3.33 0.00 0.00 175.10 171.41 1bsh s GLN 72 N 0.50 2.45 -0.98 1.54 -0.21 -0.30 -4.82 119.66 117.84 1bsh s GLN 72 Ca 0.08 -1.65 -0.08 0.00 0.02 0.00 0.00 55.36 53.73 1bsh s GLN 72 Cb -0.12 -2.39 -0.14 0.00 1.00 0.00 0.00 33.01 31.37 1bsh s GLN 72 CO -0.01 -0.43 3.16 -0.35 -2.12 0.00 0.00 175.29 175.55 1bsh n PRO 73 N -1.76 3.10 0.00 2.91 -0.04 -1.26 -3.72 135.00 134.24 1bsh n PRO 73 Ca 0.05 -1.85 0.00 0.00 -0.04 0.00 0.00 63.50 61.66 1bsh n PRO 73 Cb 0.62 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 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 2.97 0.46 2.02 0.55 0.00 -1.26 -5.13 105.19 104.80 1bsh n GLY 74 Ca 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.58 1bsh n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bsh n ASN 75 N 0.00 -0.91 -3.86 1.61 3.02 -1.24 -3.69 115.26 110.19 1bsh n ASN 75 Ca 0.00 -2.07 -0.11 0.00 -0.03 0.00 0.00 54.58 52.36 1bsh n ASN 75 Cb 0.00 1.64 -0.11 0.00 -0.61 0.00 0.00 39.78 40.70 1bsh n ASN 75 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bsh s VAL 76 N -2.62 0.06 0.28 2.41 1.01 0.22 -1.15 120.40 120.60 1bsh s VAL 76 Ca 0.15 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.70 1bsh s VAL 76 Cb -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1bsh s VAL 76 CO 0.11 -0.25 0.18 0.42 0.00 0.00 0.00 175.10 175.56 1bsh s THR 77 N -0.87 0.15 -0.30 3.92 -4.23 -0.88 -1.59 115.64 111.85 1bsh s THR 77 Ca -0.10 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.22 1bsh s THR 77 Cb -0.05 -2.51 0.19 0.00 1.34 0.00 0.00 72.50 71.47 1bsh s THR 77 CO 0.01 0.00 1.27 0.54 -0.54 0.00 0.00 174.62 175.89 1bsh s VAL 78 N -3.73 -0.09 -0.23 2.29 0.11 -1.04 -1.77 120.40 115.94 1bsh s VAL 78 Ca 0.38 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.34 1bsh s VAL 78 Cb 0.05 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1bsh s VAL 78 CO 0.18 0.00 0.11 -0.22 -3.33 0.00 0.00 175.10 171.85 1bsh s LEU 79 N 2.16 3.84 0.00 2.54 0.20 -0.71 -2.76 118.68 123.95 1bsh s LEU 79 Ca -0.00 0.01 0.00 0.00 0.69 0.00 0.00 54.13 54.82 1bsh s LEU 79 Cb -0.02 -2.02 0.00 0.00 -0.43 0.00 0.00 46.19 43.72 1bsh s LEU 79 CO -0.16 0.06 0.00 0.00 -0.29 0.00 0.00 176.35 175.96 1bsh n ALA 80 N 4.33 0.00 0.00 5.97 0.00 -0.84 -1.95 120.51 128.02 1bsh n ALA 80 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1bsh n ALA 80 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1bsh n ALA 80 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1bsh n ASP 81 N 0.00 0.00 -4.82 0.00 -0.08 -1.26 -4.65 116.55 105.74 1bsh n ASP 81 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1bsh n ASP 81 Cb 0.00 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1bsh s THR 82 N -1.00 4.72 0.14 5.18 2.01 -1.26 -4.51 115.64 120.91 1bsh s THR 82 Ca 0.00 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 60.96 1bsh s THR 82 Cb 0.00 -3.33 0.07 0.00 0.01 0.00 0.00 72.50 69.25 1bsh s THR 82 CO 0.00 0.05 0.90 0.00 -0.69 0.00 0.00 174.62 174.88 1bsh s ALA 83 N -1.53 -1.64 0.00 7.40 0.00 -1.26 -4.10 121.76 120.63 1bsh s ALA 83 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1bsh s ALA 83 Cb -0.12 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1bsh s ALA 83 CO 0.24 -0.96 0.00 -0.89 0.00 0.00 0.00 175.76 174.15 1bsh n ILE 84 N -0.42 0.00 -2.90 0.00 5.41 -1.19 -5.01 119.36 115.25 1bsh n ILE 84 Ca -0.07 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.57 1bsh n ILE 84 Cb 0.61 -0.33 0.05 0.00 -0.71 0.00 0.00 39.64 39.26 1bsh n ILE 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1bsh n ARG 85 N -1.10 -3.84 0.00 0.38 1.74 -1.26 -3.65 116.66 108.93 1bsh n ARG 85 Ca 0.00 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1bsh n ARG 85 Cb 0.19 -4.30 0.00 0.00 -1.02 0.00 0.00 32.46 27.33 1bsh n ARG 85 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bsh n GLY 86 N -1.17 1.85 0.80 -0.13 0.00 -1.13 -2.63 105.19 102.78 1bsh n GLY 86 Ca -0.09 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 2.68 1.82 -0.34 1.61 -0.00 -1.26 -4.74 117.38 117.16 1bsh n GLN 87 Ca 0.00 -3.09 0.15 0.00 -0.00 0.00 0.00 57.00 54.06 1bsh n GLN 87 Cb 0.00 -1.72 0.34 0.00 -0.00 0.00 0.00 30.24 28.86 1bsh n GLN 87 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1bsh h ASP 88 N 0.96 0.63 0.00 2.61 3.58 -1.57 -3.23 116.42 119.40 1bsh h ASP 88 Ca 0.10 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1bsh h ASP 88 Cb 1.34 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1bsh h ASP 88 CO 0.20 0.14 0.00 0.18 -2.88 0.00 0.00 179.24 176.88 1bsh n LEU 89 N -4.88 0.05 -4.40 2.28 4.32 -1.26 -4.95 117.00 108.15 1bsh n LEU 89 Ca 0.24 0.05 -0.20 0.00 -0.02 0.00 0.00 56.01 56.08 1bsh n LEU 89 Cb 0.66 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.35 1bsh n LEU 89 CO 0.17 0.00 -0.36 -1.81 -1.22 0.00 0.00 177.39 174.18 1bsh s ASP 90 N -1.86 2.53 0.00 -1.43 1.11 -1.22 -5.10 116.67 110.70 1bsh s ASP 90 Ca 0.00 -1.19 0.00 0.00 0.18 0.00 0.00 52.55 51.54 1bsh s ASP 90 Cb 0.00 -0.12 0.00 0.00 1.07 0.00 0.00 42.92 43.87 1bsh s ASP 90 CO 0.00 -0.38 0.00 1.21 1.18 0.00 0.00 175.17 177.18 1bsh n GLU 91 N -0.54 0.00 0.10 8.23 2.13 -1.26 -4.56 120.64 124.74 1bsh n GLU 91 Ca -0.05 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.89 1bsh n GLU 91 Cb 0.63 -0.25 0.15 0.00 0.27 0.00 0.00 31.44 32.25 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bsh h ALA 92 N -1.37 0.67 -0.02 4.31 0.00 -1.99 -3.24 119.26 117.62 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 0.54 0.00 0.00 0.00 179.25 179.79 1bsh n ARG 93 N -2.44 1.12 0.13 0.00 1.74 -1.26 -3.07 116.66 112.87 1bsh n ARG 93 Ca 0.03 -0.18 0.11 0.00 -0.77 0.00 0.00 57.85 57.04 1bsh n ARG 93 Cb 0.48 -1.33 0.03 0.00 -1.02 0.00 0.00 32.46 30.63 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1bsh h ALA 94 N 3.70 0.59 0.00 7.54 0.00 -1.80 -3.29 119.26 126.01 1bsh h ALA 94 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1bsh h ALA 94 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1bsh h ALA 94 CO 0.00 0.01 -0.36 0.52 0.00 0.00 0.00 179.25 179.42 1bsh h MET 95 N 0.00 0.00 0.00 0.00 2.86 -1.77 -2.55 114.93 113.47 1bsh h MET 95 Ca -0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1bsh h MET 95 Cb 1.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.67 1bsh h MET 95 CO 0.00 0.36 -0.10 0.93 1.06 0.00 0.00 176.91 179.17 1bsh h GLU 96 N 0.00 0.00 0.19 1.72 5.08 -1.76 -2.42 114.58 117.39 1bsh h GLU 96 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 1bsh h GLU 96 Cb 0.83 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.11 1bsh h GLU 96 CO 0.05 0.10 -1.10 0.00 -1.00 0.00 0.00 179.01 177.06 1bsh h ALA 97 N 1.90 -0.11 -0.68 3.43 0.00 -1.65 -2.82 119.26 119.33 1bsh h ALA 97 Ca -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 54.91 54.17 1bsh h ALA 97 Cb 0.30 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1bsh h ALA 97 CO 0.01 0.52 0.42 -0.22 0.00 0.00 0.00 179.25 179.98 1bsh h LYS 98 N -0.17 0.80 0.00 0.00 3.64 -1.44 -0.13 116.57 119.27 1bsh h LYS 98 Ca -0.19 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.08 1bsh h LYS 98 Cb 1.86 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.49 1bsh h LYS 98 CO 0.20 0.53 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.54 1bsh h ARG 99 N 0.82 0.00 -0.29 1.90 2.43 -1.54 -1.81 114.38 115.90 1bsh h ARG 99 Ca 0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1bsh h ARG 99 Cb 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1bsh h ARG 99 CO -0.12 0.28 0.00 1.63 -1.51 0.00 0.00 179.97 180.25 1bsh n LYS 100 N -3.71 1.81 -0.01 0.20 5.02 -0.19 -3.89 118.16 117.39 1bsh n LYS 100 Ca -0.01 -1.25 -0.16 0.00 -2.02 0.00 0.00 58.31 54.87 1bsh n LYS 100 Cb 0.39 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.92 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 101 N 0.49 1.16 0.03 7.82 0.00 -0.42 -3.82 120.51 125.78 1bsh n ALA 101 Ca 0.14 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.83 1bsh n ALA 101 Cb 0.32 -0.74 0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 0.04 0.44 -0.41 0.00 4.81 -1.67 -2.90 114.58 114.88 1bsh h GLU 102 Ca -0.37 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 58.56 1bsh h GLU 102 Cb 2.03 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.41 1bsh h GLU 102 CO 0.08 0.86 0.12 1.49 -0.73 0.00 0.00 179.01 180.84 1bsh h GLU 103 N 0.35 0.60 -0.07 1.92 4.57 -1.73 -0.87 114.58 119.36 1bsh h GLU 103 Ca 0.01 -0.09 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1bsh h GLU 103 Cb 1.03 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1bsh h GLU 103 CO 0.09 0.53 -0.02 1.25 -1.18 0.00 0.00 179.01 179.68 1bsh h HIS 104 N 0.59 0.15 -0.43 0.92 2.76 -1.61 -2.83 115.15 114.70 1bsh h HIS 104 Ca 0.14 -0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.09 1bsh h HIS 104 Cb 0.19 -0.04 -0.11 0.00 1.55 0.00 0.00 27.41 29.00 1bsh h HIS 104 CO 0.01 0.48 0.24 -0.89 -1.30 0.00 0.00 177.93 176.47 1bsh n ILE 105 N -4.81 1.89 -2.00 6.26 5.41 -1.07 -4.84 119.36 120.20 1bsh n ILE 105 Ca -0.07 -0.86 -0.29 0.00 1.00 0.00 0.00 62.75 62.53 1bsh n ILE 105 Cb 0.23 -0.66 -0.05 0.00 -0.71 0.00 0.00 39.64 38.45 1bsh n ILE 105 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 1bsh s SER 106 N -0.16 5.08 0.55 4.38 0.01 -0.35 -4.66 113.70 118.54 1bsh s SER 106 Ca 0.27 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1bsh s SER 106 Cb 0.22 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1bsh s SER 106 CO 0.06 -2.73 0.00 -1.20 0.41 0.00 0.00 173.24 169.78 1bsh n SER 107 N 14.01 -8.50 -3.21 2.44 7.64 -1.26 -5.06 113.62 119.68 1bsh n SER 107 Ca 0.35 1.47 0.04 0.00 1.01 0.00 0.00 58.87 61.74 1bsh n SER 107 Cb 0.48 -4.88 -0.04 0.00 -1.01 0.00 0.00 64.21 58.77 1bsh n SER 107 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1bsh s SER 108 N -4.16 -0.15 -1.16 6.43 0.15 -1.26 -5.07 113.70 108.47 1bsh s SER 108 Ca 0.00 0.19 -0.08 0.00 0.70 0.00 0.00 55.95 56.76 1bsh s SER 108 Cb 0.00 1.17 0.25 0.00 -1.71 0.00 0.00 66.02 65.72 1bsh s SER 108 CO 0.00 -0.03 1.51 1.41 1.20 0.00 0.00 173.24 177.34 1bsh n HIS 109 N 4.74 3.41 -3.75 3.44 8.25 -1.26 -4.94 115.22 125.11 1bsh n HIS 109 Ca -0.07 -3.01 -0.13 0.00 -0.26 0.00 0.00 57.72 54.26 1bsh n HIS 109 Cb 0.55 -1.66 -0.13 0.00 1.12 0.00 0.00 29.99 29.86 1bsh n HIS 109 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1bsh s GLY 110 N 0.18 -0.10 0.00 -1.41 0.00 -1.26 -5.06 107.32 99.66 1bsh s GLY 110 Ca 0.35 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1bsh s GLY 110 CO 0.03 1.01 0.00 1.22 0.00 0.00 0.00 173.10 175.36 1bsh n ASP 111 N 3.97 0.00 -0.51 1.64 8.00 -1.26 -4.22 116.55 124.17 1bsh n ASP 111 Ca -0.23 0.00 0.40 0.00 0.71 0.00 0.00 54.79 55.67 1bsh n ASP 111 Cb 0.54 0.00 0.63 0.00 -0.02 0.00 0.00 41.12 42.26 1bsh n ASP 111 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1bsh n VAL 112 N 0.00 -0.06 0.00 2.53 3.14 -1.26 -2.00 118.33 120.68 1bsh n VAL 112 Ca 0.00 1.28 0.00 0.00 -2.96 0.00 0.00 64.34 62.66 1bsh n VAL 112 Cb 0.00 -2.12 0.00 0.00 -1.06 0.00 0.00 33.84 30.66 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bsh n ASP 113 N -3.78 0.00 0.32 6.55 2.03 -1.26 -0.30 116.55 120.11 1bsh n ASP 113 Ca 0.35 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.87 1bsh n ASP 113 Cb 1.51 0.00 1.04 0.00 -0.72 0.00 0.00 41.12 42.95 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 -0.27 -0.67 3.20 -1.73 -1.58 116.97 115.92 1bsh h TYR 114 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1bsh h TYR 114 Cb 0.00 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1bsh h TYR 114 CO 0.00 0.00 0.27 0.00 -1.64 0.00 0.00 178.16 176.79 1bsh h ALA 115 N 2.00 1.95 0.04 1.82 0.00 -0.59 0.75 119.26 125.24 1bsh h ALA 115 Ca -0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1bsh h ALA 115 Cb 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1bsh h ALA 115 CO 0.00 -0.41 -1.23 1.96 0.00 0.00 0.00 179.25 179.57 1bsh h GLN 116 N 0.00 0.09 0.00 0.00 4.20 0.40 -3.21 115.11 116.60 1bsh h GLN 116 Ca 0.13 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1bsh h GLN 116 Cb 0.67 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1bsh h GLN 116 CO -0.00 0.99 0.00 0.00 -0.67 0.00 0.00 178.83 179.15 1bsh n ALA 117 N -2.47 1.78 1.63 3.87 0.00 0.22 -2.28 120.51 123.27 1bsh n ALA 117 Ca -0.07 0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1bsh n ALA 117 Cb 0.99 -1.37 0.10 0.00 0.00 0.00 0.00 19.45 19.18 1bsh n ALA 117 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bsh n SER 118 N -2.03 0.64 -0.03 0.00 2.88 -1.00 -3.68 113.62 110.40 1bsh n SER 118 Ca 0.03 -1.94 -0.22 0.00 -1.33 0.00 0.00 58.87 55.41 1bsh n SER 118 Cb 0.25 -0.08 -0.13 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.18 0.85 0.36 -1.46 0.00 -0.96 -3.81 120.51 115.31 1bsh n ALA 119 Ca 0.05 -0.55 0.09 0.00 0.00 0.00 0.00 53.44 53.03 1bsh n ALA 119 Cb 0.11 -0.65 0.38 0.00 0.00 0.00 0.00 19.45 19.29 1bsh n ALA 119 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 120 N -3.78 0.10 0.09 0.00 0.28 -1.24 -2.22 120.64 113.85 1bsh n GLU 120 Ca -0.32 0.40 -0.18 0.00 -0.16 0.00 0.00 57.16 56.90 1bsh n GLU 120 Cb 0.93 -1.71 -0.14 0.00 1.43 0.00 0.00 31.44 31.95 1bsh n GLU 120 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1bsh h LEU 121 N 0.00 0.47 0.07 -1.84 -0.00 -1.72 -3.02 115.31 109.26 1bsh h LEU 121 Ca 0.00 -0.58 -0.29 0.00 -0.00 0.00 0.00 57.88 57.02 1bsh h LEU 121 Cb 0.24 -0.15 0.02 0.00 -0.00 0.00 0.00 40.66 40.77 1bsh h LEU 121 CO 0.00 1.47 -1.20 0.00 -0.00 0.00 0.00 178.44 178.71 1bsh h ALA 122 N 0.46 0.06 0.00 1.53 0.00 -1.54 -3.08 119.26 116.68 1bsh h ALA 122 Ca -0.22 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 53.92 1bsh h ALA 122 Cb 2.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1bsh h ALA 122 CO 0.19 0.73 0.00 1.63 0.00 0.00 0.00 179.25 181.80 1bsh n LYS 123 N -3.76 0.17 0.00 0.00 5.02 -0.94 -1.64 118.16 117.00 1bsh n LYS 123 Ca -0.12 0.40 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 1bsh n LYS 123 Cb 0.97 -1.82 0.44 0.00 -0.02 0.00 0.00 35.03 34.59 1bsh n LYS 123 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 124 N -1.74 3.01 0.31 7.82 0.00 -1.14 -3.46 120.51 125.32 1bsh n ALA 124 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.31 1bsh n ALA 124 Cb 0.22 -1.26 0.10 0.00 0.00 0.00 0.00 19.45 18.51 1bsh n ALA 124 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1bsh h ILE 125 N 0.22 0.00 0.00 0.00 1.08 -1.36 -3.29 117.51 114.15 1bsh h ILE 125 Ca 0.00 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1bsh h ILE 125 Cb 0.47 1.41 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1bsh h ILE 125 CO 0.00 0.00 -0.15 0.00 -0.69 0.00 0.00 178.15 177.31 1bsh h ALA 126 N 2.21 1.41 -0.42 1.87 0.00 -1.66 -1.91 119.26 120.77 1bsh h ALA 126 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bsh h ALA 126 Cb 0.89 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1bsh h ALA 126 CO 0.00 0.18 0.26 0.37 0.00 0.00 0.00 179.25 180.06 1bsh h GLN 127 N 0.00 0.56 0.00 0.00 4.15 -1.78 -0.90 115.11 117.14 1bsh h GLN 127 Ca -0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1bsh h GLN 127 Cb 0.34 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1bsh h GLN 127 CO 0.02 0.38 -0.59 -0.11 -1.93 0.00 0.00 178.83 176.60 1bsh n LEU 128 N -4.46 0.57 0.08 -2.39 7.94 -0.75 -3.74 117.00 114.25 1bsh n LEU 128 Ca 0.03 0.06 -0.04 0.00 -1.11 0.00 0.00 56.01 54.95 1bsh n LEU 128 Cb 0.07 -0.21 -0.02 0.00 0.53 0.00 0.00 43.42 43.79 1bsh n LEU 128 CO 0.36 0.07 0.12 -0.09 -1.11 0.00 0.00 177.39 176.74 1bsh h ARG 129 N 0.00 -0.28 -0.14 1.96 9.65 -0.82 -2.25 114.38 122.50 1bsh h ARG 129 Ca 0.00 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.94 1bsh h ARG 129 Cb 0.59 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.19 1bsh h ARG 129 CO 0.00 -0.19 -0.11 -0.39 2.80 0.00 0.00 179.97 182.08 1bsh h VAL 130 N -0.99 0.68 0.00 0.20 -1.51 -1.67 -0.66 116.25 112.30 1bsh h VAL 130 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1bsh h VAL 130 Cb 0.22 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1bsh h VAL 130 CO 0.05 0.00 -0.01 -0.29 -1.23 0.00 0.00 177.57 176.09 1bsh h ILE 131 N -0.12 0.70 -0.48 7.19 2.10 -1.70 -0.07 117.51 125.13 1bsh h ILE 131 Ca 0.09 -0.03 -0.11 0.00 1.08 0.00 0.00 64.86 65.89 1bsh h ILE 131 Cb 0.25 1.01 -0.02 0.00 -1.09 0.00 0.00 36.82 36.98 1bsh h ILE 131 CO -0.21 0.01 -0.14 -0.33 -1.08 0.00 0.00 178.15 176.40 1bsh h GLU 132 N 0.00 0.91 0.00 2.19 4.39 -0.48 -2.95 114.58 118.64 1bsh h GLU 132 Ca -0.00 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1bsh h GLU 132 Cb 0.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1bsh h GLU 132 CO 0.00 0.99 -0.83 1.47 -1.16 0.00 0.00 179.01 179.48 1bsh n LEU 133 N -4.14 0.71 -0.28 1.33 -0.00 -0.71 -3.98 117.00 109.93 1bsh n LEU 133 Ca 0.01 0.20 -0.02 0.00 -0.00 0.00 0.00 56.01 56.19 1bsh n LEU 133 Cb 0.40 -0.13 0.15 0.00 -0.00 0.00 0.00 43.42 43.84 1bsh n LEU 133 CO 0.45 -0.07 1.18 0.71 -0.00 0.00 0.00 177.39 179.66 1bsh h THR 134 N 0.00 1.24 -0.39 1.47 1.35 -0.86 0.46 112.91 116.19 1bsh h THR 134 Ca 0.00 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1bsh h THR 134 Cb 0.81 0.10 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1bsh h THR 134 CO 0.00 0.26 0.23 0.11 -0.25 0.00 0.00 175.52 175.87 1bsh h LYS 135 N 1.15 0.52 -0.10 4.72 1.57 -1.68 -1.12 116.57 121.63 1bsh h LYS 135 Ca 0.29 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1bsh h LYS 135 Cb -0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1bsh h LYS 135 CO -0.05 0.36 0.00 1.17 -0.57 0.00 0.00 179.45 180.36 1bsh n LYS 136 N -4.46 2.33 0.08 3.15 4.81 -0.59 -4.25 118.16 119.24 1bsh n LYS 136 Ca 0.03 -1.95 -0.15 0.00 -0.87 0.00 0.00 58.31 55.36 1bsh n LYS 136 Cb 0.08 -1.47 -0.08 0.00 0.02 0.00 0.00 35.03 33.58 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bsh h ALA 137 N 4.66 0.25 0.00 3.14 0.00 0.12 -3.51 119.26 123.91 1bsh h ALA 137 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1bsh h ALA 137 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1bsh h ALA 137 CO 0.00 0.84 0.00 -0.12 0.00 0.00 0.00 179.25 179.97