#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bsh s MET 2 N 0.00 -2.55 0.04 0.00 1.00 -1.26 -5.06 119.30 111.47 1bsh s MET 2 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 55.69 55.68 1bsh s MET 2 Cb 0.00 -1.43 -0.02 0.00 0.00 0.00 0.00 34.83 33.38 1bsh s MET 2 CO 0.00 -4.60 0.03 0.95 0.00 0.00 0.00 175.02 171.40 1bsh s THR 3 N -2.50 0.15 0.00 2.05 -4.23 -1.26 -4.72 115.64 105.13 1bsh s THR 3 Ca 0.70 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 1bsh s THR 3 Cb -0.11 -0.95 0.00 0.00 1.34 0.00 0.00 72.50 72.78 1bsh s THR 3 CO 0.57 -0.70 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 1bsh n TYR 4 N 0.73 0.00 -4.34 3.99 4.11 -0.26 -4.88 117.16 116.51 1bsh n TYR 4 Ca -0.18 0.00 -0.19 0.00 -0.00 0.00 0.00 57.90 57.52 1bsh n TYR 4 Cb 0.59 0.00 -0.13 0.00 -0.00 0.00 0.00 39.34 39.79 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 0.31 1.07 0.07 -3.48 5.65 -1.26 0.25 115.29 117.90 1bsh s HIS 5 Ca 0.00 -0.32 0.02 0.00 0.25 0.00 0.00 55.06 55.02 1bsh s HIS 5 Cb 0.00 -0.65 -0.03 0.00 -1.18 0.00 0.00 32.58 30.72 1bsh s HIS 5 CO 0.00 0.01 -0.08 -0.48 -0.65 0.00 0.00 174.74 173.54 1bsh s LEU 6 N -0.93 2.37 -0.10 8.88 0.05 0.26 -1.68 118.68 127.53 1bsh s LEU 6 Ca 0.01 -0.75 -0.03 0.00 0.05 0.00 0.00 54.13 53.40 1bsh s LEU 6 Cb -0.07 -0.14 0.04 0.00 -2.05 0.00 0.00 46.19 43.98 1bsh s LEU 6 CO 0.01 -0.31 0.08 -0.62 -0.55 0.00 0.00 176.35 174.95 1bsh s ASP 7 N -2.23 1.71 -0.56 1.48 2.15 -0.03 -2.81 116.67 116.39 1bsh s ASP 7 Ca -0.00 -0.25 -0.04 0.00 0.43 0.00 0.00 52.55 52.69 1bsh s ASP 7 Cb -0.03 -0.18 0.15 0.00 -0.30 0.00 0.00 42.92 42.55 1bsh s ASP 7 CO -0.02 -0.30 0.38 0.54 -0.17 0.00 0.00 175.17 175.60 1bsh s VAL 8 N 2.16 3.71 0.16 1.11 0.11 -0.86 -1.35 120.40 125.43 1bsh s VAL 8 Ca 0.04 -2.58 0.02 0.00 -2.93 0.00 0.00 61.98 56.53 1bsh s VAL 8 Cb -0.14 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.23 1bsh s VAL 8 CO -0.06 -0.82 0.30 -0.69 -3.33 0.00 0.00 175.10 170.50 1bsh s VAL 9 N 0.41 5.31 0.00 2.04 1.01 -0.52 -2.52 120.40 126.13 1bsh s VAL 9 Ca 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1bsh s VAL 9 Cb -0.21 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1bsh s VAL 9 CO -0.04 -0.11 0.00 -1.54 0.00 0.00 0.00 175.10 173.41 1bsh n SER 10 N -0.61 0.00 -0.31 3.32 3.41 -1.26 -0.51 113.62 117.67 1bsh n SER 10 Ca -0.07 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.67 1bsh n SER 10 Cb 0.54 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.86 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bsh h ALA 11 N 1.00 1.82 0.00 7.33 0.00 -0.41 -3.39 119.26 125.61 1bsh h ALA 11 Ca 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1bsh h ALA 11 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1bsh h ALA 11 CO 0.00 -0.11 -0.02 -0.85 0.00 0.00 0.00 179.25 178.27 1bsh n GLU 12 N -4.63 0.02 -3.22 0.00 0.28 -1.26 -5.02 120.64 106.81 1bsh n GLU 12 Ca 0.20 -0.06 -0.24 0.00 -0.16 0.00 0.00 57.16 56.91 1bsh n GLU 12 Cb 0.54 0.36 -0.06 0.00 1.43 0.00 0.00 31.44 33.71 1bsh n GLU 12 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1bsh n GLN 13 N -0.03 1.29 -1.13 3.44 6.02 -1.26 -5.11 117.38 120.60 1bsh n GLN 13 Ca -0.01 -3.65 -0.37 0.00 -0.01 0.00 0.00 57.00 52.96 1bsh n GLN 13 Cb 0.35 -1.58 0.05 0.00 1.02 0.00 0.00 30.24 30.08 1bsh n GLN 13 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1bsh n GLN 14 N 0.98 0.07 0.00 -1.09 7.27 -1.26 -4.32 117.38 119.03 1bsh n GLN 14 Ca 0.24 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.35 1bsh n GLN 14 Cb 0.52 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.83 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 0.82 0.00 -2.22 3.69 2.81 -1.05 -4.96 117.12 116.21 1bsh n MET 15 Ca 0.05 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.52 1bsh n MET 15 Cb 0.51 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.99 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 0.68 3.28 -0.28 2.03 2.19 -1.26 -4.89 117.98 119.73 1bsh s PHE 16 Ca 0.00 1.07 -0.02 0.00 0.33 0.00 0.00 56.93 58.31 1bsh s PHE 16 Cb 0.00 -3.62 0.17 0.00 -1.31 0.00 0.00 43.02 38.26 1bsh s PHE 16 CO 0.00 -2.08 0.53 -1.54 1.83 0.00 0.00 175.22 173.96 1bsh s SER 17 N 0.93 -0.87 0.00 6.13 1.04 -1.23 -2.02 113.70 117.68 1bsh s SER 17 Ca 0.62 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.74 1bsh s SER 17 Cb -0.35 1.84 0.00 0.00 0.10 0.00 0.00 66.02 67.60 1bsh s SER 17 CO 0.32 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1bsh n GLY 18 N 5.41 0.96 0.00 7.32 0.00 -1.12 -4.98 105.19 112.77 1bsh n GLY 18 Ca -0.02 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1bsh n GLY 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bsh n LEU 19 N 0.00 0.00 0.00 0.99 -0.00 -1.25 -0.57 117.00 116.16 1bsh n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1bsh n LEU 19 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1bsh n LEU 19 CO 0.00 -1.20 0.00 0.55 -0.00 0.00 0.00 177.39 176.74 1bsh n VAL 20 N -2.34 0.00 0.00 1.47 3.14 0.71 -3.72 118.33 117.59 1bsh n VAL 20 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1bsh n VAL 20 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 -0.48 0.49 -3.26 1.45 2.13 -0.87 -1.10 120.64 119.00 1bsh n GLU 21 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1bsh n GLU 21 Cb 0.00 -0.75 -0.04 0.00 0.27 0.00 0.00 31.44 30.93 1bsh n GLU 21 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1bsh s LYS 22 N -1.50 0.66 0.15 5.31 1.02 -1.03 -4.73 119.74 119.63 1bsh s LYS 22 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 55.75 1bsh s LYS 22 Cb 0.00 -0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.09 1bsh s LYS 22 CO 0.00 -1.15 0.31 -1.50 -0.92 0.00 0.00 175.35 172.09 1bsh s ILE 23 N 1.99 5.29 -0.22 2.17 2.07 -1.15 -0.74 121.20 130.61 1bsh s ILE 23 Ca 0.14 -0.52 -0.16 0.00 -1.41 0.00 0.00 60.65 58.70 1bsh s ILE 23 Cb -0.09 -3.72 0.06 0.00 0.13 0.00 0.00 42.46 38.84 1bsh s ILE 23 CO -0.13 -0.08 0.57 -1.58 -1.91 0.00 0.00 174.94 171.82 1bsh s GLN 24 N -3.14 0.62 -0.16 3.50 0.74 0.18 -2.35 119.66 119.05 1bsh s GLN 24 Ca 0.36 0.93 -0.04 0.00 0.05 0.00 0.00 55.36 56.66 1bsh s GLN 24 Cb -0.11 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 1bsh s GLN 24 CO 0.28 -0.12 -0.02 0.08 -0.55 0.00 0.00 175.29 174.97 1bsh s VAL 25 N 0.98 4.05 -0.31 1.34 1.01 -1.25 -1.32 120.40 124.89 1bsh s VAL 25 Ca -0.05 -0.30 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 1bsh s VAL 25 Cb -0.05 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1bsh s VAL 25 CO -0.09 0.48 0.12 -0.89 0.00 0.00 0.00 175.10 174.73 1bsh s THR 26 N 0.39 4.24 0.00 3.92 2.01 -0.60 -3.48 115.64 122.12 1bsh s THR 26 Ca -0.03 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1bsh s THR 26 Cb -0.14 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1bsh s THR 26 CO 0.02 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 1bsh n GLY 27 N 4.92 4.43 3.18 4.40 0.00 -1.16 -2.50 105.19 118.46 1bsh n GLY 27 Ca -0.14 -0.56 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 1bsh n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bsh s SER 28 N 1.06 2.28 -0.49 1.61 0.15 -1.26 -4.87 113.70 112.19 1bsh s SER 28 Ca 0.00 -0.36 -0.27 0.00 0.70 0.00 0.00 55.95 56.02 1bsh s SER 28 Cb 0.00 -0.40 0.04 0.00 -1.71 0.00 0.00 66.02 63.95 1bsh s SER 28 CO 0.00 0.21 0.64 1.21 1.20 0.00 0.00 173.24 176.50 1bsh n GLU 29 N 2.80 -2.02 0.00 5.44 2.13 -1.26 -4.89 120.64 122.83 1bsh n GLU 29 Ca -0.16 1.60 0.00 0.00 0.66 0.00 0.00 57.16 59.26 1bsh n GLU 29 Cb 0.53 -3.38 0.00 0.00 0.27 0.00 0.00 31.44 28.86 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 -0.41 2.90 2.52 8.31 0.00 -1.26 -5.06 105.19 112.19 1bsh n GLY 30 Ca -0.04 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.05 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 1.98 -4.24 1.61 2.13 -1.26 -3.95 120.64 116.90 1bsh n GLU 31 Ca 0.00 -4.03 -0.17 0.00 0.66 0.00 0.00 57.16 53.62 1bsh n GLU 31 Cb 0.00 -1.94 -0.15 0.00 0.27 0.00 0.00 31.44 29.63 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 -2.90 1.94 0.00 4.31 1.43 -1.23 -4.70 118.68 117.52 1bsh s LEU 32 Ca 0.44 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1bsh s LEU 32 Cb 0.32 -0.36 0.00 0.00 0.03 0.00 0.00 46.19 46.18 1bsh s LEU 32 CO -0.11 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.15 1bsh n GLY 33 N 3.03 0.03 3.38 -3.19 0.00 -1.21 -3.92 105.19 103.31 1bsh n GLY 33 Ca -0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 1.04 0.03 0.25 -0.61 -1.09 -0.99 -4.88 121.20 114.96 1bsh s ILE 34 Ca 0.00 -0.28 -0.06 0.00 -2.23 0.00 0.00 60.65 58.08 1bsh s ILE 34 Cb 0.00 -0.94 0.03 0.00 -1.58 0.00 0.00 42.46 39.96 1bsh s ILE 34 CO 0.00 -0.15 0.44 -1.22 -1.23 0.00 0.00 174.94 172.78 1bsh n TYR 35 N 0.55 -1.59 -1.72 3.97 4.02 -1.26 -2.93 117.16 118.21 1bsh n TYR 35 Ca -0.19 -1.36 -0.42 0.00 -0.01 0.00 0.00 57.90 55.92 1bsh n TYR 35 Cb 0.59 0.52 -0.00 0.00 -0.02 0.00 0.00 39.34 40.43 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 -0.37 2.88 0.00 -0.72 -0.04 -1.26 -3.35 135.00 132.14 1bsh n PRO 36 Ca -0.03 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.84 1bsh n PRO 36 Cb 0.39 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.58 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 4.08 0.62 0.00 0.55 0.00 -1.26 -4.90 105.19 104.29 1bsh n GLY 37 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.00 1.61 -0.00 -1.21 -5.07 115.22 110.55 1bsh n HIS 38 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1bsh n HIS 38 Cb 0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 29.99 29.62 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 -1.25 0.00 -2.39 1.57 0.00 -1.26 -5.04 120.51 112.14 1bsh n ALA 39 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1bsh n ALA 39 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 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 -0.61 2.81 -3.40 0.00 -0.04 -1.26 -4.82 135.00 127.68 1bsh n PRO 40 Ca 0.00 -3.04 -0.38 0.00 -0.04 0.00 0.00 63.50 60.05 1bsh n PRO 40 Cb 0.00 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 29.88 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 5.44 4.34 -0.34 1.53 2.01 -1.26 -4.98 118.68 125.41 1bsh s LEU 41 Ca 0.57 0.82 0.16 0.00 0.01 0.00 0.00 54.13 55.69 1bsh s LEU 41 Cb 0.04 -2.62 0.43 0.00 0.01 0.00 0.00 46.19 44.05 1bsh s LEU 41 CO 0.08 0.12 0.91 -0.11 1.01 0.00 0.00 176.35 178.36 1bsh n LEU 42 N 3.07 1.53 0.00 1.79 0.00 -1.26 -2.88 117.00 119.25 1bsh n LEU 42 Ca -0.10 -4.10 0.00 0.00 0.00 0.00 0.00 56.01 51.81 1bsh n LEU 42 Cb 0.52 0.43 0.00 0.00 0.00 0.00 0.00 43.42 44.37 1bsh n LEU 42 CO 0.41 1.76 0.00 0.35 0.00 0.00 0.00 177.39 179.91 1bsh n THR 43 N -0.01 0.00 -2.31 1.96 -2.24 -1.22 -4.99 114.28 105.46 1bsh n THR 43 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1bsh n THR 43 Cb 0.77 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh n ALA 44 N -3.00 0.00 -2.73 6.98 0.00 -1.26 -1.73 120.51 118.77 1bsh n ALA 44 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1bsh n ALA 44 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1bsh n ALA 44 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1bsh s ILE 45 N 1.62 1.99 0.27 0.00 2.07 -0.60 -3.73 121.20 122.83 1bsh s ILE 45 Ca 0.00 -1.04 -0.30 0.00 -1.41 0.00 0.00 60.65 57.90 1bsh s ILE 45 Cb 0.00 -1.69 -0.11 0.00 0.13 0.00 0.00 42.46 40.79 1bsh s ILE 45 CO 0.00 0.56 1.58 -0.54 -1.91 0.00 0.00 174.94 174.63 1bsh s LYS 46 N -0.17 4.15 0.63 3.50 3.01 -1.26 -4.26 119.74 125.33 1bsh s LYS 46 Ca -0.03 2.53 -0.11 0.00 -1.01 0.00 0.00 55.97 57.35 1bsh s LYS 46 Cb -0.13 -3.05 -0.03 0.00 -1.01 0.00 0.00 37.83 33.61 1bsh s LYS 46 CO 0.03 -0.61 1.03 -1.25 0.51 0.00 0.00 175.35 175.06 1bsh s PRO 47 N -0.24 3.51 0.00 -1.68 0.04 -1.26 -4.53 135.00 130.83 1bsh s PRO 47 Ca 0.64 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1bsh s PRO 47 Cb -0.47 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1bsh s PRO 47 CO 0.45 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1bsh n GLY 48 N -2.60 0.20 0.79 0.56 0.00 -0.95 -2.96 105.19 100.23 1bsh n GLY 48 Ca 0.06 -1.77 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 1bsh n GLY 48 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1bsh n MET 49 N 0.00 1.26 -3.62 1.61 0.00 -1.04 -1.71 117.12 113.62 1bsh n MET 49 Ca 0.00 -0.70 -0.13 0.00 0.00 0.00 0.00 57.70 56.86 1bsh n MET 49 Cb 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 33.22 33.21 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 -0.43 0.00 -0.01 3.17 2.07 -1.05 -1.56 121.20 123.40 1bsh s ILE 50 Ca 0.07 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.35 1bsh s ILE 50 Cb -0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.58 1bsh s ILE 50 CO 0.05 0.00 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.37 1bsh s ARG 51 N 0.17 0.92 0.33 3.50 3.00 -0.43 -2.15 118.95 124.29 1bsh s ARG 51 Ca -0.01 -0.40 0.03 0.00 -1.00 0.00 0.00 55.73 54.36 1bsh s ARG 51 Cb -0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 34.95 33.97 1bsh s ARG 51 CO 0.01 0.23 0.09 0.42 0.00 0.00 0.00 175.30 176.05 1bsh s ILE 52 N -0.23 0.82 -0.24 4.11 1.01 -0.88 -0.64 121.20 125.14 1bsh s ILE 52 Ca 0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 60.65 58.65 1bsh s ILE 52 Cb -0.05 -2.62 0.08 0.00 0.01 0.00 0.00 42.46 39.89 1bsh s ILE 52 CO -0.00 0.00 0.10 -0.69 0.00 0.00 0.00 174.94 174.35 1bsh s VAL 53 N -3.40 0.11 0.00 2.92 1.01 0.08 -2.45 120.40 118.67 1bsh s VAL 53 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1bsh s VAL 53 Cb 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.53 1bsh s VAL 53 CO 0.15 -0.49 0.00 1.17 0.00 0.00 0.00 175.10 175.93 1bsh n LYS 54 N 5.19 0.00 0.00 2.72 4.81 -1.23 -2.04 118.16 127.60 1bsh n LYS 54 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1bsh n LYS 54 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1bsh n LYS 54 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1bsh n GLN 55 N 0.00 0.00 0.18 1.64 7.27 -1.26 -2.88 117.38 122.32 1bsh n GLN 55 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.19 1bsh n GLN 55 Cb 0.00 0.00 0.19 0.00 2.41 0.00 0.00 30.24 32.84 1bsh n GLN 55 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1bsh h HIS 56 N 0.00 0.00 -0.02 3.69 -0.00 -1.94 -3.46 115.15 113.42 1bsh h HIS 56 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1bsh h HIS 56 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1bsh h HIS 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 178.34 1bsh n GLY 57 N 1.16 2.60 0.00 5.26 0.00 -1.14 -5.06 105.19 108.01 1bsh n GLY 57 Ca 0.04 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.34 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 0.00 -3.70 1.61 8.25 -1.25 -4.57 115.22 115.55 1bsh n HIS 58 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1bsh n HIS 58 Cb 0.00 -0.05 -0.13 0.00 1.12 0.00 0.00 29.99 30.93 1bsh n HIS 58 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1bsh s GLU 59 N -2.11 0.18 -0.06 -0.41 2.02 -1.26 -3.57 118.70 113.49 1bsh s GLU 59 Ca -0.01 0.60 -0.03 0.00 0.02 0.00 0.00 54.97 55.56 1bsh s GLU 59 Cb 0.01 -0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.10 1bsh s GLU 59 CO 0.07 -0.21 0.08 -1.21 0.02 0.00 0.00 175.26 174.01 1bsh s GLU 60 N 1.70 3.17 -0.24 1.61 0.41 -1.03 -4.97 118.70 119.35 1bsh s GLU 60 Ca -0.05 -0.35 -0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1bsh s GLU 60 Cb -0.11 -2.95 0.07 0.00 -1.78 0.00 0.00 34.13 29.37 1bsh s GLU 60 CO -0.08 0.70 0.05 -0.06 -0.49 0.00 0.00 175.26 175.38 1bsh s PHE 61 N -1.07 1.28 0.00 1.61 0.40 -1.26 -2.07 117.98 116.88 1bsh s PHE 61 Ca 0.18 -1.19 0.00 0.00 -0.60 0.00 0.00 56.93 55.32 1bsh s PHE 61 Cb -0.12 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.15 1bsh s PHE 61 CO 0.08 -0.72 0.00 -0.89 0.70 0.00 0.00 175.22 174.39 1bsh n ILE 62 N 4.97 0.00 -3.53 0.64 -0.00 -0.91 -2.42 119.36 118.11 1bsh n ILE 62 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.68 1bsh n ILE 62 Cb 0.45 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.03 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 -0.52 -0.43 0.19 1.39 6.14 -0.74 -2.52 117.35 120.87 1bsh s TYR 63 Ca 0.00 0.81 0.00 0.00 0.64 0.00 0.00 57.07 58.52 1bsh s TYR 63 Cb 0.00 0.26 0.00 0.00 0.42 0.00 0.00 41.96 42.64 1bsh s TYR 63 CO 0.00 -0.21 0.01 1.28 0.64 0.00 0.00 175.55 177.26 1bsh n LEU 64 N 3.97 0.00 -1.87 6.97 4.77 -0.69 -2.39 117.00 127.76 1bsh n LEU 64 Ca -0.15 -1.16 -0.02 0.00 -0.03 0.00 0.00 56.01 54.65 1bsh n LEU 64 Cb 0.56 0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1bsh n LEU 64 CO 0.01 -0.17 0.32 -1.54 -1.33 0.00 0.00 177.39 174.67 1bsh n SER 65 N -1.15 -0.31 0.00 -1.43 3.41 -1.26 -2.25 113.62 110.63 1bsh n SER 65 Ca -0.07 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1bsh n SER 65 Cb 0.24 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -0.43 2.32 0.00 5.00 0.00 -1.26 -4.81 105.19 106.01 1bsh n GLY 66 Ca -0.13 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.80 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N -1.25 0.88 3.70 -0.02 0.00 -1.26 -4.08 105.19 103.17 1bsh n GLY 67 Ca 0.00 -1.96 -0.27 0.00 0.00 0.00 0.00 46.02 43.79 1bsh n GLY 67 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1bsh s ILE 68 N -2.07 3.92 -0.04 -0.61 2.07 0.00 -1.56 121.20 122.92 1bsh s ILE 68 Ca 0.00 -1.31 0.01 0.00 -1.41 0.00 0.00 60.65 57.94 1bsh s ILE 68 Cb 0.00 -2.97 0.02 0.00 0.13 0.00 0.00 42.46 39.64 1bsh s ILE 68 CO 0.00 -0.09 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.66 1bsh s LEU 69 N -2.94 1.51 -0.03 8.50 0.20 -0.71 -1.34 118.68 123.88 1bsh s LEU 69 Ca 0.28 -0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.97 1bsh s LEU 69 Cb -0.10 -0.47 0.02 0.00 -0.43 0.00 0.00 46.19 45.22 1bsh s LEU 69 CO 0.20 -0.01 -0.03 -1.61 -0.29 0.00 0.00 176.35 174.61 1bsh s GLU 70 N 0.64 0.54 -0.14 1.98 2.02 -0.76 -3.42 118.70 119.56 1bsh s GLU 70 Ca -0.09 -0.04 -0.07 0.00 0.02 0.00 0.00 54.97 54.79 1bsh s GLU 70 Cb -0.12 -0.61 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 1bsh s GLU 70 CO 0.00 -0.07 0.12 0.54 0.02 0.00 0.00 175.26 175.87 1bsh s VAL 71 N 0.78 5.34 0.45 2.63 0.11 -1.14 -2.29 120.40 126.28 1bsh s VAL 71 Ca -0.09 0.15 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 1bsh s VAL 71 Cb -0.12 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.35 1bsh s VAL 71 CO -0.01 0.58 0.06 -1.10 -3.33 0.00 0.00 175.10 171.30 1bsh s GLN 72 N -0.68 2.02 -0.55 1.54 -1.52 -0.33 -4.84 119.66 115.30 1bsh s GLN 72 Ca 0.13 -2.25 -0.28 0.00 -1.95 0.00 0.00 55.36 51.01 1bsh s GLN 72 Cb -0.12 -1.12 0.03 0.00 -0.22 0.00 0.00 33.01 31.58 1bsh s GLN 72 CO 0.02 -0.36 1.25 -1.25 -0.25 0.00 0.00 175.29 174.70 1bsh s PRO 73 N -3.80 3.50 -0.80 2.91 0.04 -1.26 -3.47 135.00 132.13 1bsh s PRO 73 Ca 0.18 0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 1bsh s PRO 73 Cb 0.03 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1bsh s PRO 73 CO 0.10 -1.69 0.11 0.41 0.04 0.00 0.00 177.00 175.97 1bsh n GLY 74 N 5.08 0.02 0.00 0.56 0.00 -1.26 -4.98 105.19 104.61 1bsh n GLY 74 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1bsh n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bsh n ASN 75 N -0.01 0.00 -4.29 1.61 6.94 -1.23 -4.18 115.26 114.10 1bsh n ASN 75 Ca -0.09 0.00 -0.24 0.00 -0.02 0.00 0.00 54.58 54.22 1bsh n ASN 75 Cb 0.58 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.87 1bsh n ASN 75 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1bsh s VAL 76 N -0.05 1.75 -0.07 3.53 0.11 -0.68 -1.19 120.40 123.80 1bsh s VAL 76 Ca 0.00 -1.55 -0.09 0.00 -2.93 0.00 0.00 61.98 57.41 1bsh s VAL 76 Cb 0.00 -1.59 0.02 0.00 -1.53 0.00 0.00 36.38 33.28 1bsh s VAL 76 CO 0.00 -0.04 0.24 -0.89 -3.33 0.00 0.00 175.10 171.08 1bsh s THR 77 N -1.14 0.02 -0.05 5.04 2.01 -0.97 -0.85 115.64 119.69 1bsh s THR 77 Ca 0.07 -0.13 -0.07 0.00 0.31 0.00 0.00 61.69 61.87 1bsh s THR 77 Cb -0.10 -0.39 0.01 0.00 0.01 0.00 0.00 72.50 72.04 1bsh s THR 77 CO 0.04 -0.07 0.18 0.68 -0.69 0.00 0.00 174.62 174.76 1bsh s VAL 78 N -0.20 0.02 0.22 3.82 -7.23 -0.46 -1.82 120.40 114.76 1bsh s VAL 78 Ca -0.03 -0.13 0.06 0.00 -1.81 0.00 0.00 61.98 60.07 1bsh s VAL 78 Cb -0.03 -0.29 -0.03 0.00 0.56 0.00 0.00 36.38 36.58 1bsh s VAL 78 CO 0.01 -0.07 0.26 -0.76 -0.31 0.00 0.00 175.10 174.23 1bsh s LEU 79 N -0.18 4.06 0.00 1.32 1.02 -0.45 -1.44 118.68 123.00 1bsh s LEU 79 Ca -0.03 -0.07 0.00 0.00 0.02 0.00 0.00 54.13 54.05 1bsh s LEU 79 Cb -0.02 -2.60 0.00 0.00 0.02 0.00 0.00 46.19 43.58 1bsh s LEU 79 CO 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 176.35 176.35 1bsh n ALA 80 N -1.08 0.00 0.00 4.21 0.00 0.34 -0.82 120.51 123.16 1bsh n ALA 80 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1bsh n ALA 80 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1bsh n ALA 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bsh n ASP 81 N -1.00 3.97 -4.74 0.00 9.92 -1.26 -1.42 116.55 122.03 1bsh n ASP 81 Ca 0.00 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 54.00 1bsh n ASP 81 Cb 0.00 0.05 -0.07 0.00 -0.64 0.00 0.00 41.12 40.46 1bsh n ASP 81 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1bsh s THR 82 N -1.97 2.05 -0.29 -3.53 -1.32 -1.26 -1.77 115.64 107.54 1bsh s THR 82 Ca 0.00 -1.76 -0.19 0.00 -1.21 0.00 0.00 61.69 58.52 1bsh s THR 82 Cb 0.00 -2.81 0.17 0.00 -1.51 0.00 0.00 72.50 68.35 1bsh s THR 82 CO 0.00 0.00 1.16 0.00 -2.21 0.00 0.00 174.62 173.57 1bsh s ALA 83 N -2.67 -2.34 0.02 11.08 0.00 -1.26 -4.57 121.76 122.03 1bsh s ALA 83 Ca 0.35 1.99 -0.06 0.00 0.00 0.00 0.00 51.96 54.23 1bsh s ALA 83 Cb 0.04 -1.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 1bsh s ALA 83 CO 0.19 -0.27 0.11 0.42 0.00 0.00 0.00 175.76 176.21 1bsh s ILE 84 N 0.83 0.11 0.64 0.00 1.01 -1.01 -4.96 121.20 117.83 1bsh s ILE 84 Ca -0.04 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1bsh s ILE 84 Cb -0.04 -0.68 0.11 0.00 0.01 0.00 0.00 42.46 41.86 1bsh s ILE 84 CO -0.12 -0.50 0.89 -0.60 0.00 0.00 0.00 174.94 174.60 1bsh s ARG 85 N -2.07 2.00 0.00 2.79 3.52 -1.26 -1.78 118.95 122.14 1bsh s ARG 85 Ca -0.09 -1.39 0.21 0.00 -0.13 0.00 0.00 55.73 54.33 1bsh s ARG 85 Cb -0.04 -2.50 1.23 0.00 -1.56 0.00 0.00 34.95 32.09 1bsh s ARG 85 CO -0.02 -1.14 1.70 0.41 -0.81 0.00 0.00 175.30 175.44 1bsh n GLY 86 N -2.53 -0.84 2.29 8.12 0.00 -1.01 -4.06 105.19 107.15 1bsh n GLY 86 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 0.16 -0.03 1.61 10.64 -1.26 -4.12 117.38 123.50 1bsh n GLN 87 Ca 0.16 -0.48 -0.13 0.00 -1.83 0.00 0.00 57.00 54.72 1bsh n GLN 87 Cb 0.07 0.02 -0.07 0.00 -0.86 0.00 0.00 30.24 29.40 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 0.76 -1.49 0.00 2.61 3.58 -1.96 -3.44 116.42 116.49 1bsh h ASP 88 Ca -0.40 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1bsh h ASP 88 Cb 1.17 0.60 0.00 0.00 1.72 0.00 0.00 39.33 42.82 1bsh h ASP 88 CO -0.15 -0.44 0.00 0.18 -2.88 0.00 0.00 179.24 175.96 1bsh n LEU 89 N -5.43 -0.24 0.00 2.28 4.77 -1.26 -5.08 117.00 112.04 1bsh n LEU 89 Ca -0.04 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1bsh n LEU 89 Cb 0.37 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1bsh n LEU 89 CO 0.09 -0.53 0.00 0.47 -1.33 0.00 0.00 177.39 176.09 1bsh n ASP 90 N -2.76 0.00 0.00 -1.43 9.92 -1.26 -5.03 116.55 115.98 1bsh n ASP 90 Ca 0.00 -0.82 0.00 0.00 -0.53 0.00 0.00 54.79 53.44 1bsh n ASP 90 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bsh n ASP 90 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1bsh n GLU 91 N -0.82 0.00 0.22 -1.24 0.28 -1.26 -4.75 120.64 113.08 1bsh n GLU 91 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.13 1bsh n GLU 91 Cb 0.00 0.00 0.31 0.00 1.43 0.00 0.00 31.44 33.18 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bsh h ALA 92 N 0.00 1.00 -0.00 -1.84 0.00 -2.01 -2.94 119.26 113.46 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 2.89 0.00 0.00 0.00 179.25 182.14 1bsh n ARG 93 N -3.02 1.01 -0.02 0.00 1.85 -1.26 -3.15 116.66 112.07 1bsh n ARG 93 Ca 0.03 -0.02 -0.12 0.00 -1.00 0.00 0.00 57.85 56.74 1bsh n ARG 93 Cb 0.47 -1.33 -0.14 0.00 -1.05 0.00 0.00 32.46 30.40 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bsh n ALA 94 N -0.81 1.34 0.16 2.89 0.00 -1.11 -3.99 120.51 118.99 1bsh n ALA 94 Ca 0.16 -0.76 0.05 0.00 0.00 0.00 0.00 53.44 52.89 1bsh n ALA 94 Cb 0.08 -0.75 0.09 0.00 0.00 0.00 0.00 19.45 18.87 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 0.02 0.00 0.00 0.00 2.86 -1.71 -3.12 114.93 112.98 1bsh h MET 95 Ca -0.34 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1bsh h MET 95 Cb 2.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.69 1bsh h MET 95 CO 0.08 0.38 0.00 0.93 1.06 0.00 0.00 176.91 179.35 1bsh h GLU 96 N 0.00 0.00 0.21 1.72 5.08 -1.69 -2.86 114.58 117.04 1bsh h GLU 96 Ca -0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.04 1bsh h GLU 96 Cb 1.25 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.53 1bsh h GLU 96 CO 0.05 0.00 -1.49 0.00 -1.00 0.00 0.00 179.01 176.57 1bsh h ALA 97 N 2.03 -0.02 -0.94 3.43 0.00 -1.70 -3.15 119.26 118.91 1bsh h ALA 97 Ca 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 54.91 53.98 1bsh h ALA 97 Cb 0.40 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1bsh h ALA 97 CO 0.00 0.78 0.62 -0.22 0.00 0.00 0.00 179.25 180.43 1bsh h LYS 98 N 0.03 1.16 -0.37 0.00 3.11 -1.59 0.39 116.57 119.30 1bsh h LYS 98 Ca -0.28 -0.07 -0.09 0.00 -2.81 0.00 0.00 60.65 57.40 1bsh h LYS 98 Cb 2.05 -0.26 -0.02 0.00 -1.00 0.00 0.00 32.23 33.00 1bsh h LYS 98 CO 0.21 0.77 -0.16 -0.09 -2.81 0.00 0.00 179.45 177.37 1bsh h ARG 99 N 1.20 0.68 -0.01 1.90 1.12 -1.63 -2.22 114.38 115.42 1bsh h ARG 99 Ca 0.37 -0.23 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1bsh h ARG 99 Cb -0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 29.90 1bsh h ARG 99 CO -0.11 0.80 -0.02 1.63 -3.11 0.00 0.00 179.97 179.17 1bsh n LYS 100 N -4.15 1.59 -0.08 0.20 5.02 -0.60 -3.31 118.16 116.83 1bsh n LYS 100 Ca 0.01 -0.90 -0.10 0.00 -2.02 0.00 0.00 58.31 55.29 1bsh n LYS 100 Cb 0.38 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 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 4.30 0.08 -0.36 7.82 0.00 0.37 -3.17 119.26 128.30 1bsh h ALA 101 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 1bsh h ALA 101 Cb 0.49 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bsh h ALA 101 CO 0.00 0.39 -0.22 1.49 0.00 0.00 0.00 179.25 180.91 1bsh h GLU 102 N -1.00 0.78 -0.75 0.00 4.81 -1.68 -2.60 114.58 114.14 1bsh h GLU 102 Ca -0.11 -0.36 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 1bsh h GLU 102 Cb 0.73 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 1bsh h GLU 102 CO -0.06 0.99 0.41 0.93 -0.73 0.00 0.00 179.01 180.55 1bsh h GLU 103 N 0.57 0.70 0.00 1.92 5.08 -1.74 0.11 114.58 121.21 1bsh h GLU 103 Ca 0.07 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1bsh h GLU 103 Cb 0.78 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1bsh h GLU 103 CO 0.06 0.46 -0.17 1.25 -1.00 0.00 0.00 179.01 179.61 1bsh h HIS 104 N 0.72 0.00 -0.39 4.33 2.76 -1.50 -2.31 115.15 118.76 1bsh h HIS 104 Ca 0.35 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.40 1bsh h HIS 104 Cb 0.30 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.19 1bsh h HIS 104 CO -0.08 0.17 0.16 -0.89 -1.30 0.00 0.00 177.93 175.99 1bsh n ILE 105 N -3.44 1.73 -1.61 6.26 5.41 0.35 -4.86 119.36 123.20 1bsh n ILE 105 Ca -0.01 -0.82 -0.21 0.00 1.00 0.00 0.00 62.75 62.71 1bsh n ILE 105 Cb 0.35 -0.56 -0.06 0.00 -0.71 0.00 0.00 39.64 38.67 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 -0.27 4.14 0.20 4.38 0.01 -0.87 -4.63 113.70 116.66 1bsh s SER 106 Ca 0.28 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1bsh s SER 106 Cb 0.22 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.92 1bsh s SER 106 CO 0.07 -3.52 0.00 -1.20 0.41 0.00 0.00 173.24 168.99 1bsh n SER 107 N 17.54 -3.40 -3.69 2.44 7.64 -1.26 -5.03 113.62 127.86 1bsh n SER 107 Ca 0.43 0.43 -0.12 0.00 1.01 0.00 0.00 58.87 60.62 1bsh n SER 107 Cb 0.47 -1.87 -0.07 0.00 -1.01 0.00 0.00 64.21 61.73 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 -5.81 -0.24 -0.03 6.43 0.15 -1.26 -4.97 113.70 107.97 1bsh s SER 108 Ca 0.00 -0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.38 1bsh s SER 108 Cb 0.00 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 64.76 1bsh s SER 108 CO 0.00 -0.65 0.49 -2.28 1.20 0.00 0.00 173.24 172.00 1bsh s HIS 109 N -2.48 -0.41 0.00 3.44 2.46 -1.26 -4.95 115.29 112.08 1bsh s HIS 109 Ca -0.05 0.66 0.00 0.00 0.47 0.00 0.00 55.06 56.14 1bsh s HIS 109 Cb -0.01 0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 1bsh s HIS 109 CO -0.03 -0.50 0.00 0.41 -2.47 0.00 0.00 174.74 172.15 1bsh n GLY 110 N 1.05 1.79 2.74 1.59 0.00 -1.26 -4.04 105.19 107.06 1bsh n GLY 110 Ca -0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.27 -3.36 1.61 8.00 -1.26 -2.90 116.55 115.37 1bsh n ASP 111 Ca 0.00 1.23 -0.19 0.00 0.71 0.00 0.00 54.79 56.55 1bsh n ASP 111 Cb 0.00 -3.87 -0.03 0.00 -0.02 0.00 0.00 41.12 37.20 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 2.03 -0.07 0.00 2.53 0.24 -1.26 -4.83 118.33 116.97 1bsh n VAL 112 Ca -0.25 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1bsh n VAL 112 Cb 0.39 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N -1.93 0.00 0.06 -1.34 2.03 -1.14 -4.04 116.55 110.20 1bsh n ASP 113 Ca 0.04 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.45 1bsh n ASP 113 Cb 0.48 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.28 1bsh n ASP 113 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bsh n TYR 114 N 0.00 0.39 0.22 -0.67 9.36 -1.26 -1.95 117.16 123.26 1bsh n TYR 114 Ca 0.00 0.16 0.09 0.00 3.32 0.00 0.00 57.90 61.47 1bsh n TYR 114 Cb 0.00 -0.75 0.48 0.00 -0.63 0.00 0.00 39.34 38.44 1bsh n TYR 114 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1bsh h ALA 115 N 2.37 1.09 0.00 2.98 0.00 -1.86 -2.59 119.26 121.26 1bsh h ALA 115 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1bsh h ALA 115 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bsh h ALA 115 CO 0.00 0.31 -0.49 1.96 0.00 0.00 0.00 179.25 181.03 1bsh h GLN 116 N 0.00 0.00 0.00 0.00 1.08 -1.53 -2.69 115.11 111.97 1bsh h GLN 116 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1bsh h GLN 116 Cb 0.69 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.12 1bsh h GLN 116 CO 0.03 0.49 0.00 0.00 -0.95 0.00 0.00 178.83 178.41 1bsh n ALA 117 N -2.32 2.33 0.06 3.87 0.00 -0.98 -3.13 120.51 120.35 1bsh n ALA 117 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1bsh n ALA 117 Cb 0.60 -1.45 -0.12 0.00 0.00 0.00 0.00 19.45 18.47 1bsh n ALA 117 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bsh h SER 118 N 0.00 0.05 0.21 0.00 0.02 -1.49 -2.94 113.55 109.39 1bsh h SER 118 Ca 0.00 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.79 1bsh h SER 118 Cb 0.36 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1bsh h SER 118 CO 0.00 1.05 -0.36 0.00 -1.14 0.00 0.00 176.83 176.38 1bsh h ALA 119 N 0.94 1.20 0.00 3.77 0.00 -1.65 -2.24 119.26 121.28 1bsh h ALA 119 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1bsh h ALA 119 Cb 1.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1bsh h ALA 119 CO 0.13 0.54 -0.28 0.39 0.00 0.00 0.00 179.25 180.04 1bsh n GLU 120 N -4.07 0.19 0.18 0.00 1.02 -1.23 -3.41 120.64 113.32 1bsh n GLU 120 Ca -0.01 0.10 0.06 0.00 -0.02 0.00 0.00 57.16 57.29 1bsh n GLU 120 Cb 0.44 -1.67 0.26 0.00 -0.02 0.00 0.00 31.44 30.45 1bsh n GLU 120 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1bsh h LEU 121 N 0.00 0.00 0.00 -4.62 7.12 -1.21 -2.75 115.31 113.85 1bsh h LEU 121 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1bsh h LEU 121 Cb 0.67 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1bsh h LEU 121 CO 0.00 0.37 0.00 0.00 -0.13 0.00 0.00 178.44 178.68 1bsh n ALA 122 N -2.25 2.40 0.62 1.25 0.00 -1.20 -2.87 120.51 118.46 1bsh n ALA 122 Ca 0.01 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.44 1bsh n ALA 122 Cb 0.57 -1.46 0.28 0.00 0.00 0.00 0.00 19.45 18.84 1bsh n ALA 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1bsh n LYS 123 N -1.32 0.26 0.01 0.00 4.01 -1.03 -3.33 118.16 116.76 1bsh n LYS 123 Ca 0.12 0.14 0.12 0.00 -0.51 0.00 0.00 58.31 58.18 1bsh n LYS 123 Cb 0.24 -1.73 0.27 0.00 -0.51 0.00 0.00 35.03 33.31 1bsh n LYS 123 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bsh n ALA 124 N -1.79 3.36 1.68 7.82 0.00 -1.14 -3.57 120.51 126.86 1bsh n ALA 124 Ca 0.04 -0.32 0.15 0.00 0.00 0.00 0.00 53.44 53.32 1bsh n ALA 124 Cb 0.43 -1.16 0.80 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.57 0.00 0.08 0.00 -0.00 -1.21 -3.18 119.36 113.48 1bsh n ILE 125 Ca 0.05 -0.02 0.09 0.00 -0.00 0.00 0.00 62.75 62.87 1bsh n ILE 125 Cb 0.35 -0.37 -0.03 0.00 -0.00 0.00 0.00 39.64 39.59 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1bsh n ALA 126 N -1.02 2.40 -0.01 -1.39 0.00 -1.23 -3.97 120.51 115.28 1bsh n ALA 126 Ca 0.19 -0.32 -0.07 0.00 0.00 0.00 0.00 53.44 53.24 1bsh n ALA 126 Cb 0.20 -1.06 0.11 0.00 0.00 0.00 0.00 19.45 18.70 1bsh n ALA 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1bsh h GLN 127 N 0.00 0.56 -0.24 0.00 3.07 -1.76 -2.32 115.11 114.43 1bsh h GLN 127 Ca -0.04 -0.27 0.00 0.00 0.09 0.00 0.00 58.65 58.43 1bsh h GLN 127 Cb 1.14 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.69 1bsh h GLN 127 CO 0.01 0.85 0.00 1.47 0.09 0.00 0.00 178.83 181.25 1bsh n LEU 128 N -4.04 0.96 -0.10 0.06 -0.00 -1.25 -3.89 117.00 108.73 1bsh n LEU 128 Ca -0.01 -0.48 -0.20 0.00 -0.00 0.00 0.00 56.01 55.32 1bsh n LEU 128 Cb 0.50 -0.15 -0.10 0.00 -0.00 0.00 0.00 43.42 43.67 1bsh n LEU 128 CO 0.45 0.22 -0.49 0.03 -0.00 0.00 0.00 177.39 177.60 1bsh h ARG 129 N 0.91 0.00 0.00 1.47 3.08 -1.55 -3.19 114.38 115.10 1bsh h ARG 129 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bsh h ARG 129 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1bsh h ARG 129 CO 0.01 0.87 0.38 -0.39 -1.07 0.00 0.00 179.97 179.77 1bsh h VAL 130 N -1.00 0.00 0.00 2.04 -1.51 -1.68 -2.18 116.25 111.93 1bsh h VAL 130 Ca -0.30 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 1bsh h VAL 130 Cb 1.20 0.60 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1bsh h VAL 130 CO -0.18 0.00 -0.39 0.40 -1.23 0.00 0.00 177.57 176.17 1bsh h ILE 131 N 0.00 0.18 -1.00 7.19 2.04 -1.72 -2.98 117.51 121.23 1bsh h ILE 131 Ca 0.00 -1.18 0.38 0.00 1.00 0.00 0.00 64.86 65.06 1bsh h ILE 131 Cb 0.76 0.38 -0.17 0.00 -0.74 0.00 0.00 36.82 37.06 1bsh h ILE 131 CO 0.00 0.06 0.55 -0.33 0.00 0.00 0.00 178.15 178.43 1bsh h GLU 132 N -1.00 0.14 0.06 2.37 4.39 -1.38 0.98 114.58 120.15 1bsh h GLU 132 Ca -0.03 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1bsh h GLU 132 Cb 0.44 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1bsh h GLU 132 CO -0.02 0.09 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.83 1bsh h LEU 133 N 0.15 -0.07 -1.46 1.33 4.07 -1.64 -3.08 115.31 114.61 1bsh h LEU 133 Ca 0.80 -0.56 0.17 0.00 0.08 0.00 0.00 57.88 58.36 1bsh h LEU 133 Cb 1.99 0.02 -0.02 0.00 1.08 0.00 0.00 40.66 43.72 1bsh h LEU 133 CO -0.70 0.59 0.78 0.71 -1.08 0.00 0.00 178.44 178.74 1bsh h THR 134 N -0.79 0.15 0.27 0.22 1.35 -0.67 0.99 112.91 114.43 1bsh h THR 134 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1bsh h THR 134 Cb 0.63 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1bsh h THR 134 CO 0.01 0.00 -0.13 0.11 -0.25 0.00 0.00 175.52 175.26 1bsh h LYS 135 N 0.00 -0.36 -0.61 4.72 1.57 -1.22 -3.26 116.57 117.41 1bsh h LYS 135 Ca 0.27 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1bsh h LYS 135 Cb 1.84 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.22 1bsh h LYS 135 CO -0.00 -0.02 0.01 1.63 -0.57 0.00 0.00 179.45 180.50 1bsh n LYS 136 N -5.04 4.66 0.26 3.15 5.02 0.19 -4.33 118.16 122.06 1bsh n LYS 136 Ca -0.08 -2.98 0.14 0.00 -2.02 0.00 0.00 58.31 53.37 1bsh n LYS 136 Cb 0.26 -2.23 0.62 0.00 -0.02 0.00 0.00 35.03 33.66 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh h ALA 137 N 3.85 1.05 -0.03 7.82 0.00 0.85 -3.50 119.26 129.31 1bsh h ALA 137 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bsh h ALA 137 Cb 1.92 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1bsh h ALA 137 CO 0.48 0.14 0.00 -1.33 0.00 0.00 0.00 179.25 178.54