#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 0.22 0.00 0.00 1.00 -1.26 -5.14 119.30 114.12 1bsh s MET 2 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 55.69 55.92 1bsh s MET 2 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 34.83 33.77 1bsh s MET 2 CO 0.00 -0.68 0.00 2.41 0.00 0.00 0.00 175.02 176.75 1bsh n THR 3 N 5.33 0.00 -3.86 2.05 -1.04 -1.26 -4.81 114.28 110.69 1bsh n THR 3 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1bsh n THR 3 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 1bsh n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bsh n TYR 4 N 0.00 -0.11 -3.05 -1.42 4.02 -0.25 -4.77 117.16 111.59 1bsh n TYR 4 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.93 1bsh n TYR 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1bsh s HIS 5 N -2.74 -0.84 0.18 -0.72 5.65 -1.26 -3.10 115.29 112.46 1bsh s HIS 5 Ca 0.00 0.35 -0.11 0.00 0.25 0.00 0.00 55.06 55.55 1bsh s HIS 5 Cb 0.00 0.15 -0.07 0.00 -1.18 0.00 0.00 32.58 31.48 1bsh s HIS 5 CO 0.00 -0.52 0.51 -0.51 -0.65 0.00 0.00 174.74 173.58 1bsh s LEU 6 N 2.52 4.25 -0.47 8.88 2.01 -0.68 -0.90 118.68 134.30 1bsh s LEU 6 Ca 0.20 0.92 0.06 0.00 0.01 0.00 0.00 54.13 55.32 1bsh s LEU 6 Cb -0.02 -3.43 0.24 0.00 0.01 0.00 0.00 46.19 42.99 1bsh s LEU 6 CO -0.19 0.02 0.81 -0.67 1.01 0.00 0.00 176.35 177.33 1bsh n ASP 7 N 0.30 -2.25 -4.44 2.29 2.03 0.93 -1.21 116.55 114.21 1bsh n ASP 7 Ca -0.03 -3.18 -0.40 0.00 0.52 0.00 0.00 54.79 51.70 1bsh n ASP 7 Cb 0.52 1.32 -0.11 0.00 -0.72 0.00 0.00 41.12 42.13 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 0.29 4.84 -0.02 5.18 0.11 -0.97 -2.54 120.40 127.29 1bsh s VAL 8 Ca 0.33 -0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1bsh s VAL 8 Cb 0.22 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.42 1bsh s VAL 8 CO -0.22 -0.14 0.08 0.68 -3.33 0.00 0.00 175.10 172.18 1bsh s VAL 9 N 1.62 4.80 -0.75 2.04 -7.23 0.14 -1.26 120.40 119.76 1bsh s VAL 9 Ca 0.04 -0.33 0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1bsh s VAL 9 Cb -0.18 -3.17 0.36 0.00 0.56 0.00 0.00 36.38 33.95 1bsh s VAL 9 CO 0.08 0.40 1.63 -1.20 -0.31 0.00 0.00 175.10 175.70 1bsh n SER 10 N 1.33 6.44 -2.06 4.85 7.64 -1.26 -0.58 113.62 129.98 1bsh n SER 10 Ca -0.14 -3.76 -0.02 0.00 1.01 0.00 0.00 58.87 55.95 1bsh n SER 10 Cb 0.53 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1bsh n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh n ALA 11 N -0.40 -2.73 -2.48 -0.43 0.00 -0.20 -4.04 120.51 110.23 1bsh n ALA 11 Ca 0.46 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 54.09 1bsh n ALA 11 Cb 0.36 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1bsh n ALA 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bsh n GLU 12 N -0.64 -2.10 -0.02 0.00 2.13 -1.26 -4.86 120.64 113.88 1bsh n GLU 12 Ca 0.04 0.77 -0.02 0.00 0.66 0.00 0.00 57.16 58.61 1bsh n GLU 12 Cb 0.26 -5.20 -0.04 0.00 0.27 0.00 0.00 31.44 26.73 1bsh n GLU 12 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 1bsh n GLN 13 N -2.81 2.60 -3.08 5.31 -0.06 -1.26 -5.08 117.38 113.01 1bsh n GLN 13 Ca -0.16 -0.01 -0.04 0.00 -2.00 0.00 0.00 57.00 54.79 1bsh n GLN 13 Cb 0.63 -1.14 0.00 0.00 -4.06 0.00 0.00 30.24 25.68 1bsh n GLN 13 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1bsh n GLN 14 N -2.10 -1.35 0.00 3.69 6.02 -1.26 -4.77 117.38 117.61 1bsh n GLN 14 Ca -0.07 1.42 0.00 0.00 -0.01 0.00 0.00 57.00 58.33 1bsh n GLN 14 Cb 0.58 -2.42 0.00 0.00 1.02 0.00 0.00 30.24 29.42 1bsh n GLN 14 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1bsh n MET 15 N 0.95 0.00 -3.52 -1.09 2.81 -0.39 -4.85 117.12 111.03 1bsh n MET 15 Ca -0.00 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.47 1bsh n MET 15 Cb 0.38 -0.20 -0.10 0.00 -0.71 0.00 0.00 33.22 32.58 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 0.00 3.23 -0.50 2.03 5.36 -1.22 -4.95 117.98 121.93 1bsh s PHE 16 Ca 0.00 -0.53 0.03 0.00 -0.96 0.00 0.00 56.93 55.47 1bsh s PHE 16 Cb 0.00 -2.51 0.15 0.00 -0.34 0.00 0.00 43.02 40.32 1bsh s PHE 16 CO 0.00 -0.52 0.32 -1.54 -1.46 0.00 0.00 175.22 172.02 1bsh s SER 17 N 1.67 3.56 0.00 6.13 1.04 -1.22 -1.69 113.70 123.19 1bsh s SER 17 Ca 0.05 -3.02 0.00 0.00 0.48 0.00 0.00 55.95 53.46 1bsh s SER 17 Cb -0.18 -1.10 0.00 0.00 0.10 0.00 0.00 66.02 64.83 1bsh s SER 17 CO 0.09 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1bsh n GLY 18 N 3.02 2.55 2.35 7.32 0.00 -0.35 -4.92 105.19 115.15 1bsh n GLY 18 Ca 0.15 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.47 0.00 0.99 -0.00 -1.25 -1.68 117.00 110.59 1bsh n LEU 19 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1bsh n LEU 19 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.85 1bsh n LEU 19 CO 0.00 -4.42 0.00 1.33 -0.00 0.00 0.00 177.39 174.30 1bsh n VAL 20 N -2.04 0.00 0.00 1.47 0.24 -1.18 -4.57 118.33 112.25 1bsh n VAL 20 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 1bsh n VAL 20 Cb 0.46 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1bsh n VAL 20 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1bsh n GLU 21 N 0.00 0.00 -3.40 7.34 2.13 -0.77 -1.09 120.64 124.85 1bsh n GLU 21 Ca 0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.56 1bsh n GLU 21 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 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 -0.99 0.73 -0.06 5.31 -0.14 -1.17 -4.79 119.74 118.63 1bsh s LYS 22 Ca 0.00 -1.64 -0.06 0.00 -1.36 0.00 0.00 55.97 52.92 1bsh s LYS 22 Cb 0.00 -1.26 -0.04 0.00 -1.68 0.00 0.00 37.83 34.84 1bsh s LYS 22 CO 0.00 -1.29 0.18 -1.50 -0.76 0.00 0.00 175.35 171.97 1bsh s ILE 23 N 0.64 5.45 0.03 2.17 2.07 -1.11 -1.12 121.20 129.32 1bsh s ILE 23 Ca 0.25 0.09 0.06 0.00 -1.41 0.00 0.00 60.65 59.64 1bsh s ILE 23 Cb -0.10 -3.48 -0.02 0.00 0.13 0.00 0.00 42.46 39.00 1bsh s ILE 23 CO -0.09 0.49 -0.17 -1.58 -1.91 0.00 0.00 174.94 171.68 1bsh s GLN 24 N -1.43 1.20 -0.13 3.50 2.00 0.53 -0.90 119.66 124.43 1bsh s GLN 24 Ca 0.21 -0.78 -0.02 0.00 -2.00 0.00 0.00 55.36 52.78 1bsh s GLN 24 Cb -0.12 -1.23 0.04 0.00 0.80 0.00 0.00 33.01 32.49 1bsh s GLN 24 CO 0.11 0.32 -0.01 0.08 -0.50 0.00 0.00 175.29 175.29 1bsh s VAL 25 N -0.71 0.62 -0.12 1.34 1.01 -1.25 -2.36 120.40 118.93 1bsh s VAL 25 Ca 0.05 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1bsh s VAL 25 Cb -0.08 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.45 1bsh s VAL 25 CO 0.01 0.12 -0.19 -0.89 0.00 0.00 0.00 175.10 174.15 1bsh s THR 26 N 1.85 1.77 0.00 3.92 2.01 -1.12 -4.13 115.64 119.94 1bsh s THR 26 Ca 0.03 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1bsh s THR 26 Cb -0.14 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1bsh s THR 26 CO -0.07 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.97 1bsh n GLY 27 N 4.12 0.91 3.91 4.40 0.00 -1.26 -2.60 105.19 114.67 1bsh n GLY 27 Ca -0.19 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 6.27 0.29 1.61 0.15 -1.26 -4.69 113.70 116.07 1bsh s SER 28 Ca 0.00 0.92 0.03 0.00 0.70 0.00 0.00 55.95 57.60 1bsh s SER 28 Cb 0.00 -2.24 0.70 0.00 -1.71 0.00 0.00 66.02 62.76 1bsh s SER 28 CO 0.00 -0.57 1.69 -0.08 1.20 0.00 0.00 173.24 175.49 1bsh h GLU 29 N 0.26 0.37 -0.22 5.44 4.81 -2.00 0.34 114.58 123.58 1bsh h GLU 29 Ca -0.47 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1bsh h GLU 29 Cb 1.20 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1bsh h GLU 29 CO 0.62 0.25 -0.15 0.78 -0.73 0.00 0.00 179.01 179.78 1bsh h GLY 30 N 0.39 0.01 -0.76 1.92 0.00 -1.99 -3.45 103.07 99.19 1bsh h GLY 30 Ca 0.54 0.19 -0.30 0.00 0.00 0.00 0.00 47.33 47.76 1bsh h GLY 30 CO -0.53 -0.16 -0.28 -2.21 0.00 0.00 0.00 176.54 173.37 1bsh n GLU 31 N -5.31 -1.04 -2.06 4.80 2.13 0.11 -4.96 120.64 114.31 1bsh n GLU 31 Ca -0.01 1.01 -0.33 0.00 0.66 0.00 0.00 57.16 58.49 1bsh n GLU 31 Cb 0.22 -5.15 0.01 0.00 0.27 0.00 0.00 31.44 26.80 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1bsh s LEU 32 N -3.42 3.53 0.45 4.31 1.43 -1.26 -4.81 118.68 118.92 1bsh s LEU 32 Ca 0.00 1.89 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 1bsh s LEU 32 Cb 0.00 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.70 1bsh s LEU 32 CO 0.00 -1.21 0.62 -0.83 0.23 0.00 0.00 176.35 175.15 1bsh s GLY 33 N -2.59 1.91 -0.37 -3.19 0.00 -1.26 -3.85 107.32 97.97 1bsh s GLY 33 Ca 0.65 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 43.55 1bsh s GLY 33 CO 0.35 -1.47 0.24 -0.42 0.00 0.00 0.00 173.10 171.80 1bsh s ILE 34 N -2.43 4.99 0.06 0.90 -1.09 -0.08 -4.82 121.20 118.73 1bsh s ILE 34 Ca 0.56 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.43 1bsh s ILE 34 Cb -0.10 -3.68 -0.00 0.00 -1.58 0.00 0.00 42.46 37.10 1bsh s ILE 34 CO 0.34 -0.15 0.00 -1.22 -1.23 0.00 0.00 174.94 172.69 1bsh n TYR 35 N 5.08 0.10 1.69 3.97 4.02 -1.26 -2.76 117.16 128.00 1bsh n TYR 35 Ca -0.12 -0.29 0.06 0.00 -0.01 0.00 0.00 57.90 57.54 1bsh n TYR 35 Cb 0.48 -0.03 0.36 0.00 -0.02 0.00 0.00 39.34 40.13 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 -0.13 0.84 -0.39 -0.72 -0.04 -1.26 -2.81 135.00 130.49 1bsh n PRO 36 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1bsh n PRO 36 Cb 0.07 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.50 -0.20 3.41 0.55 0.00 -1.26 -4.90 105.19 103.28 1bsh n GLY 37 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1bsh n GLY 37 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1bsh n HIS 38 N 0.00 -1.00 -1.49 1.61 -0.00 -1.12 -4.81 115.22 108.41 1bsh n HIS 38 Ca 0.00 0.59 -0.37 0.00 0.46 0.00 0.00 57.72 58.39 1bsh n HIS 38 Cb 0.65 -1.92 0.06 0.00 -0.12 0.00 0.00 29.99 28.66 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 -1.01 -0.44 -2.25 1.57 0.00 -1.26 -4.81 120.51 112.31 1bsh n ALA 39 Ca 0.11 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 1bsh n ALA 39 Cb 0.41 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -0.92 2.74 -3.81 0.00 -0.04 -1.26 -4.76 135.00 126.95 1bsh n PRO 40 Ca 0.13 -2.92 -0.23 0.00 -0.04 0.00 0.00 63.50 60.44 1bsh n PRO 40 Cb 0.48 -3.47 -0.02 0.00 -0.04 0.00 0.00 33.50 30.45 1bsh n PRO 40 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bsh s LEU 41 N 4.91 4.24 -0.07 1.53 2.01 -1.26 -4.97 118.68 125.08 1bsh s LEU 41 Ca 0.56 0.20 0.06 0.00 0.01 0.00 0.00 54.13 54.95 1bsh s LEU 41 Cb 0.06 -3.00 0.13 0.00 0.01 0.00 0.00 46.19 43.39 1bsh s LEU 41 CO 0.06 -0.11 1.12 0.00 1.01 0.00 0.00 176.35 178.43 1bsh n LEU 42 N -1.35 -0.81 0.00 1.79 -0.00 -1.24 -2.89 117.00 112.50 1bsh n LEU 42 Ca -0.07 -2.24 0.00 0.00 -0.00 0.00 0.00 56.01 53.69 1bsh n LEU 42 Cb 0.56 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1bsh n LEU 42 CO 0.46 1.42 0.00 0.35 -0.00 0.00 0.00 177.39 179.63 1bsh n THR 43 N -0.24 0.00 -3.48 1.47 -2.24 -1.20 -4.81 114.28 103.78 1bsh n THR 43 Ca -0.22 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.37 1bsh n THR 43 Cb 0.78 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.25 4.21 0.08 6.98 0.00 -1.26 -0.85 121.76 128.66 1bsh s ALA 44 Ca 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 51.96 50.59 1bsh s ALA 44 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1bsh s ALA 44 CO 0.00 -0.03 -0.16 0.42 0.00 0.00 0.00 175.76 175.99 1bsh s ILE 45 N -2.17 1.29 0.95 0.00 1.01 -1.09 -4.79 121.20 116.40 1bsh s ILE 45 Ca 0.44 -1.37 -0.12 0.00 0.00 0.00 0.00 60.65 59.61 1bsh s ILE 45 Cb -0.10 -1.21 0.16 0.00 0.01 0.00 0.00 42.46 41.32 1bsh s ILE 45 CO 0.31 -0.17 1.10 -0.54 0.00 0.00 0.00 174.94 175.64 1bsh s LYS 46 N -1.77 0.79 0.17 2.79 3.01 -1.26 -4.21 119.74 119.25 1bsh s LYS 46 Ca 0.01 0.61 -0.30 0.00 -1.01 0.00 0.00 55.97 55.27 1bsh s LYS 46 Cb -0.10 -1.77 -0.07 0.00 -1.01 0.00 0.00 37.83 34.88 1bsh s LYS 46 CO 0.03 -2.51 0.99 -1.25 0.51 0.00 0.00 175.35 173.11 1bsh s PRO 47 N -4.98 4.72 0.00 -1.68 0.04 -1.26 -4.48 135.00 127.37 1bsh s PRO 47 Ca 0.64 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.21 1bsh s PRO 47 Cb -0.18 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1bsh s PRO 47 CO 0.57 0.28 0.00 0.41 0.04 0.00 0.00 177.00 178.30 1bsh n GLY 48 N 1.96 1.01 0.00 0.56 0.00 -1.03 -4.59 105.19 103.09 1bsh n GLY 48 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 3.02 -3.62 1.61 0.00 -1.07 -1.94 117.12 115.12 1bsh n MET 49 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.70 57.65 1bsh n MET 49 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 1bsh n MET 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 175.97 174.47 1bsh s ILE 50 N 0.34 0.00 -0.08 3.17 -1.16 -0.79 -2.79 121.20 119.89 1bsh s ILE 50 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 1bsh s ILE 50 Cb 0.00 -1.00 0.02 0.00 0.61 0.00 0.00 42.46 42.09 1bsh s ILE 50 CO 0.00 0.00 -0.10 -0.60 -2.81 0.00 0.00 174.94 171.43 1bsh s ARG 51 N -0.76 1.61 0.32 3.50 3.00 -0.99 -2.19 118.95 123.44 1bsh s ARG 51 Ca 0.05 -0.35 0.07 0.00 -1.00 0.00 0.00 55.73 54.50 1bsh s ARG 51 Cb -0.02 -1.46 -0.06 0.00 0.00 0.00 0.00 34.95 33.41 1bsh s ARG 51 CO -0.06 -0.08 -0.04 0.42 0.00 0.00 0.00 175.30 175.53 1bsh s ILE 52 N 1.05 1.81 -0.10 4.11 1.01 -0.76 -0.35 121.20 127.97 1bsh s ILE 52 Ca -0.07 -2.11 -0.01 0.00 0.00 0.00 0.00 60.65 58.46 1bsh s ILE 52 Cb -0.15 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.71 1bsh s ILE 52 CO -0.01 -0.18 -0.04 -0.69 0.00 0.00 0.00 174.94 174.02 1bsh s VAL 53 N -2.89 0.74 0.08 2.92 1.01 -0.28 -1.33 120.40 120.65 1bsh s VAL 53 Ca 0.32 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 1bsh s VAL 53 Cb 0.05 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 1bsh s VAL 53 CO 0.15 0.28 1.32 -0.54 0.00 0.00 0.00 175.10 176.31 1bsh s LYS 54 N 1.82 4.36 1.28 2.72 1.02 -0.94 -1.85 119.74 128.15 1bsh s LYS 54 Ca 0.04 1.96 0.00 0.00 0.02 0.00 0.00 55.97 57.99 1bsh s LYS 54 Cb -0.13 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1bsh s LYS 54 CO -0.07 -0.39 0.00 0.94 -0.92 0.00 0.00 175.35 174.91 1bsh n GLN 55 N 4.09 0.00 -2.69 1.68 7.27 -1.26 -2.76 117.38 123.71 1bsh n GLN 55 Ca 0.11 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.13 1bsh n GLN 55 Cb 0.44 0.00 0.10 0.00 2.41 0.00 0.00 30.24 33.19 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1bsh n HIS 56 N 0.00 -1.29 0.02 3.69 -0.00 -1.26 -4.33 115.22 112.04 1bsh n HIS 56 Ca 0.00 -1.22 0.00 0.00 -0.00 0.00 0.00 57.72 56.50 1bsh n HIS 56 Cb 0.00 1.34 0.00 0.00 -0.00 0.00 0.00 29.99 31.33 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1bsh n GLY 57 N 0.50 -1.94 3.81 1.57 0.00 -1.11 -5.14 105.19 102.87 1bsh n GLY 57 Ca -0.01 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 1bsh n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bsh s HIS 58 N -1.16 0.89 0.03 1.61 3.76 -1.26 -4.89 115.29 114.26 1bsh s HIS 58 Ca 0.00 0.28 -0.23 0.00 -0.15 0.00 0.00 55.06 54.96 1bsh s HIS 58 Cb 0.00 -4.00 0.05 0.00 1.11 0.00 0.00 32.58 29.74 1bsh s HIS 58 CO 0.00 -3.27 0.53 -1.83 -0.85 0.00 0.00 174.74 169.32 1bsh s GLU 59 N -5.81 1.01 0.19 1.40 1.03 -1.26 -2.22 118.70 113.05 1bsh s GLU 59 Ca 0.75 -0.15 0.09 0.00 0.03 0.00 0.00 54.97 55.69 1bsh s GLU 59 Cb -0.04 0.47 -0.04 0.00 -0.80 0.00 0.00 34.13 33.71 1bsh s GLU 59 CO 0.54 -0.35 -0.18 -2.00 -1.33 0.00 0.00 175.26 171.94 1bsh s GLU 60 N -2.17 1.35 -0.14 -4.83 2.12 -0.44 -4.90 118.70 109.68 1bsh s GLU 60 Ca -0.07 -1.49 0.02 0.00 0.36 0.00 0.00 54.97 53.79 1bsh s GLU 60 Cb -0.01 -1.39 0.01 0.00 0.26 0.00 0.00 34.13 33.00 1bsh s GLU 60 CO 0.01 0.27 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.73 1bsh s PHE 61 N -2.22 2.70 0.43 5.30 0.40 -1.26 -1.82 117.98 121.50 1bsh s PHE 61 Ca 0.19 -1.29 0.03 0.00 -0.60 0.00 0.00 56.93 55.26 1bsh s PHE 61 Cb -0.05 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1bsh s PHE 61 CO 0.08 -0.59 0.12 0.42 0.70 0.00 0.00 175.22 175.94 1bsh s ILE 62 N 0.83 0.66 -0.30 0.64 -1.09 -0.93 -1.27 121.20 119.74 1bsh s ILE 62 Ca -0.06 -2.00 -0.16 0.00 -2.23 0.00 0.00 60.65 56.19 1bsh s ILE 62 Cb -0.15 -2.31 0.17 0.00 -1.58 0.00 0.00 42.46 38.59 1bsh s ILE 62 CO -0.02 0.00 1.10 -0.47 -1.23 0.00 0.00 174.94 174.32 1bsh s TYR 63 N -3.16 -0.40 0.42 3.97 6.14 -1.14 -1.88 117.35 121.31 1bsh s TYR 63 Ca 0.21 0.75 0.03 0.00 0.64 0.00 0.00 57.07 58.70 1bsh s TYR 63 Cb 0.02 0.24 0.03 0.00 0.42 0.00 0.00 41.96 42.67 1bsh s TYR 63 CO 0.13 -0.20 0.21 1.28 0.64 0.00 0.00 175.55 177.61 1bsh n LEU 64 N 4.00 0.00 -0.41 6.97 4.32 -0.82 -2.03 117.00 129.03 1bsh n LEU 64 Ca -0.14 -2.34 0.00 0.00 -0.02 0.00 0.00 56.01 53.51 1bsh n LEU 64 Cb 0.56 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 1bsh n LEU 64 CO 0.00 -0.46 0.23 -0.24 -1.22 0.00 0.00 177.39 175.70 1bsh n SER 65 N -1.65 0.00 0.00 -1.43 2.88 -1.25 -2.46 113.62 109.71 1bsh n SER 65 Ca -0.07 -1.43 0.00 0.00 -1.33 0.00 0.00 58.87 56.04 1bsh n SER 65 Cb 0.50 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 1bsh n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bsh n GLY 66 N 0.00 4.50 0.00 0.46 0.00 -1.26 -4.50 105.19 104.39 1bsh n GLY 66 Ca 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.99 0.63 3.21 -0.02 0.00 -1.26 -3.58 105.19 102.17 1bsh n GLY 67 Ca 0.00 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.18 2.73 0.12 -0.61 1.10 -0.89 -2.66 121.20 118.81 1bsh s ILE 68 Ca 0.00 -0.82 0.02 0.00 -0.51 0.00 0.00 60.65 59.35 1bsh s ILE 68 Cb 0.00 -2.26 -0.04 0.00 0.15 0.00 0.00 42.46 40.31 1bsh s ILE 68 CO 0.00 0.40 0.21 -0.22 -2.11 0.00 0.00 174.94 173.22 1bsh s LEU 69 N 1.36 4.16 -0.17 8.50 0.20 -0.03 -1.62 118.68 131.08 1bsh s LEU 69 Ca 0.04 0.11 -0.12 0.00 0.69 0.00 0.00 54.13 54.84 1bsh s LEU 69 Cb -0.14 -2.76 0.05 0.00 -0.43 0.00 0.00 46.19 42.91 1bsh s LEU 69 CO -0.07 0.10 0.43 -0.70 -0.29 0.00 0.00 176.35 175.82 1bsh s GLU 70 N -2.93 0.46 -0.12 1.98 2.12 -0.67 -3.21 118.70 116.33 1bsh s GLU 70 Ca 0.33 0.73 -0.07 0.00 0.36 0.00 0.00 54.97 56.32 1bsh s GLU 70 Cb -0.11 0.10 -0.04 0.00 0.26 0.00 0.00 34.13 34.34 1bsh s GLU 70 CO 0.26 -0.11 0.14 0.54 -0.54 0.00 0.00 175.26 175.55 1bsh s VAL 71 N 0.89 5.50 0.44 3.70 0.11 -1.14 -2.31 120.40 127.58 1bsh s VAL 71 Ca -0.05 0.22 0.04 0.00 -2.93 0.00 0.00 61.98 59.25 1bsh s VAL 71 Cb -0.06 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 1bsh s VAL 71 CO -0.07 0.62 0.03 -1.10 -3.33 0.00 0.00 175.10 171.25 1bsh s GLN 72 N -1.00 2.01 -0.63 1.54 -0.21 -0.96 -4.85 119.66 115.55 1bsh s GLN 72 Ca 0.15 -2.21 -0.28 0.00 0.02 0.00 0.00 55.36 53.04 1bsh s GLN 72 Cb -0.12 -1.34 0.02 0.00 1.00 0.00 0.00 33.01 32.58 1bsh s GLN 72 CO 0.04 -0.26 1.31 -1.25 -2.12 0.00 0.00 175.29 173.01 1bsh s PRO 73 N -3.80 3.31 -0.29 2.91 0.04 -1.26 -3.67 135.00 132.24 1bsh s PRO 73 Ca 0.22 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.39 1bsh s PRO 73 Cb 0.05 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1bsh s PRO 73 CO 0.11 -1.96 0.25 0.41 0.04 0.00 0.00 177.00 175.85 1bsh n GLY 74 N 5.25 0.41 0.00 0.56 0.00 -1.26 -5.01 105.19 105.15 1bsh n GLY 74 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1bsh n GLY 74 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bsh n ASN 75 N -0.64 0.00 -4.85 1.61 5.15 -1.24 -4.40 115.26 110.90 1bsh n ASN 75 Ca -0.04 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.62 1bsh n ASN 75 Cb 0.53 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.72 1bsh n ASN 75 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1bsh s VAL 76 N 0.00 5.08 -0.11 3.44 1.01 -0.07 -2.27 120.40 127.47 1bsh s VAL 76 Ca 0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.57 1bsh s VAL 76 Cb 0.00 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 33.05 1bsh s VAL 76 CO 0.00 0.30 0.28 -0.89 0.00 0.00 0.00 175.10 174.79 1bsh s THR 77 N -1.30 -0.01 -0.11 3.92 2.01 -0.98 -0.05 115.64 119.13 1bsh s THR 77 Ca 0.26 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 62.17 1bsh s THR 77 Cb -0.12 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.02 1bsh s THR 77 CO 0.18 0.02 0.36 0.54 -0.69 0.00 0.00 174.62 175.03 1bsh s VAL 78 N 0.53 0.01 0.24 3.82 0.11 -1.05 -1.67 120.40 122.38 1bsh s VAL 78 Ca -0.03 -0.12 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1bsh s VAL 78 Cb -0.05 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1bsh s VAL 78 CO -0.03 -0.07 0.20 -0.76 -3.33 0.00 0.00 175.10 171.12 1bsh s LEU 79 N -0.23 3.87 0.00 2.54 1.02 -0.64 -0.68 118.68 124.56 1bsh s LEU 79 Ca -0.04 -0.20 -0.08 0.00 0.02 0.00 0.00 54.13 53.83 1bsh s LEU 79 Cb -0.03 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 43.80 1bsh s LEU 79 CO 0.02 -0.03 0.40 0.00 0.02 0.00 0.00 176.35 176.76 1bsh n ALA 80 N -1.08 -0.96 -0.01 4.21 0.00 0.25 -2.09 120.51 120.82 1bsh n ALA 80 Ca -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1bsh n ALA 80 Cb 0.57 0.36 -0.01 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.09 3.83 -4.91 0.00 2.03 -1.24 -1.03 116.55 114.14 1bsh n ASP 81 Ca -0.03 -0.01 -0.32 0.00 0.52 0.00 0.00 54.79 54.95 1bsh n ASP 81 Cb 0.26 0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.63 1bsh n ASP 81 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1bsh s THR 82 N -2.06 5.37 -0.23 5.18 2.01 -1.26 -4.75 115.64 119.91 1bsh s THR 82 Ca -0.04 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 1bsh s THR 82 Cb 0.01 -3.61 0.07 0.00 0.01 0.00 0.00 72.50 68.98 1bsh s THR 82 CO 0.07 0.17 0.71 0.00 -0.69 0.00 0.00 174.62 174.88 1bsh s ALA 83 N -1.49 -1.76 -0.07 7.40 0.00 -1.25 -3.92 121.76 120.67 1bsh s ALA 83 Ca 0.34 1.88 0.01 0.00 0.00 0.00 0.00 51.96 54.19 1bsh s ALA 83 Cb -0.13 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1bsh s ALA 83 CO 0.26 -0.34 -0.06 0.42 0.00 0.00 0.00 175.76 176.04 1bsh s ILE 84 N 0.09 0.71 -0.85 0.00 1.01 -0.86 -4.97 121.20 116.33 1bsh s ILE 84 Ca -0.02 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.28 1bsh s ILE 84 Cb -0.04 -0.73 0.14 0.00 0.01 0.00 0.00 42.46 41.84 1bsh s ILE 84 CO 0.03 0.28 0.98 -0.60 0.00 0.00 0.00 174.94 175.63 1bsh s ARG 85 N 1.21 3.50 0.00 2.79 6.06 -1.26 -2.87 118.95 128.37 1bsh s ARG 85 Ca -0.06 -1.80 0.00 0.00 -2.50 0.00 0.00 55.73 51.38 1bsh s ARG 85 Cb -0.14 -4.68 0.00 0.00 0.06 0.00 0.00 34.95 30.19 1bsh s ARG 85 CO -0.02 -1.64 0.00 0.41 -2.50 0.00 0.00 175.30 171.55 1bsh n GLY 86 N 5.12 0.90 3.41 8.12 0.00 -0.40 -2.44 105.19 119.91 1bsh n GLY 86 Ca 0.16 0.76 -0.45 0.00 0.00 0.00 0.00 46.02 46.49 1bsh n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bsh s GLN 87 N 0.00 4.05 -0.14 1.61 -0.21 -1.26 -4.52 119.66 119.19 1bsh s GLN 87 Ca 0.00 -2.74 -0.09 0.00 0.02 0.00 0.00 55.36 52.55 1bsh s GLN 87 Cb 0.00 -4.81 -0.06 0.00 1.00 0.00 0.00 33.01 29.13 1bsh s GLN 87 CO 0.00 -1.54 -0.22 -3.47 -2.12 0.00 0.00 175.29 167.94 1bsh n ASP 88 N 4.51 1.35 -1.79 5.90 2.03 -1.02 -4.55 116.55 122.96 1bsh n ASP 88 Ca 0.29 0.23 -0.16 0.00 0.52 0.00 0.00 54.79 55.67 1bsh n ASP 88 Cb 0.42 -0.53 0.10 0.00 -0.72 0.00 0.00 41.12 40.39 1bsh n ASP 88 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1bsh n LEU 89 N -3.88 5.56 0.00 -2.67 4.32 -1.26 -5.02 117.00 114.05 1bsh n LEU 89 Ca -0.26 -2.93 0.17 0.00 -0.02 0.00 0.00 56.01 52.98 1bsh n LEU 89 Cb 0.60 -0.77 -0.04 0.00 -1.62 0.00 0.00 43.42 41.59 1bsh n LEU 89 CO 0.06 0.92 -0.23 0.47 -1.22 0.00 0.00 177.39 177.39 1bsh n ASP 90 N -0.40 -7.65 -0.07 -1.43 9.92 -1.26 -4.00 116.55 111.66 1bsh n ASP 90 Ca 0.37 1.34 -0.09 0.00 -0.53 0.00 0.00 54.79 55.88 1bsh n ASP 90 Cb 1.10 -3.77 -0.08 0.00 -0.64 0.00 0.00 41.12 37.73 1bsh n ASP 90 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1bsh n GLU 91 N -3.84 0.97 0.05 -1.24 1.02 -1.26 -4.37 120.64 111.96 1bsh n GLU 91 Ca 0.01 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 1bsh n GLU 91 Cb 0.57 -1.30 0.40 0.00 -0.02 0.00 0.00 31.44 31.10 1bsh n GLU 91 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bsh n ALA 92 N -2.76 2.59 0.09 0.62 0.00 -1.26 -3.20 120.51 116.60 1bsh n ALA 92 Ca -0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.06 1bsh n ALA 92 Cb 0.81 -1.36 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 1bsh n ALA 92 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1bsh h ARG 93 N 0.00 0.00 0.00 0.00 2.43 -1.79 -3.20 114.38 111.82 1bsh h ARG 93 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bsh h ARG 93 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1bsh h ARG 93 CO 0.00 0.60 -0.57 0.00 -1.51 0.00 0.00 179.97 178.49 1bsh n ALA 94 N -2.31 3.05 0.27 2.80 0.00 -1.22 -3.62 120.51 119.48 1bsh n ALA 94 Ca -0.02 -0.27 0.16 0.00 0.00 0.00 0.00 53.44 53.32 1bsh n ALA 94 Cb 0.83 -1.17 0.65 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 0.00 0.00 0.00 2.86 -1.54 -2.48 114.93 113.77 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 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1bsh h MET 95 CO 0.00 0.04 0.00 0.93 1.06 0.00 0.00 176.91 178.94 1bsh h GLU 96 N 0.00 0.00 0.00 1.72 3.07 -1.69 -2.61 114.58 115.07 1bsh h GLU 96 Ca -0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1bsh h GLU 96 Cb 0.55 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.44 1bsh h GLU 96 CO 0.01 0.00 -0.94 0.00 -1.40 0.00 0.00 179.01 176.68 1bsh n ALA 97 N -2.03 0.64 -0.34 3.43 0.00 -0.94 -3.57 120.51 117.70 1bsh n ALA 97 Ca 0.00 -0.48 0.09 0.00 0.00 0.00 0.00 53.44 53.05 1bsh n ALA 97 Cb 0.26 -0.25 0.27 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.00 0.89 -0.39 0.00 3.11 -1.59 0.19 116.57 117.79 1bsh h LYS 98 Ca -0.19 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.52 1bsh h LYS 98 Cb 0.93 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 31.94 1bsh h LYS 98 CO -0.11 0.59 -0.09 -0.09 -2.81 0.00 0.00 179.45 176.94 1bsh h ARG 99 N 0.92 0.67 -0.00 1.90 2.43 -1.65 -2.04 114.38 116.61 1bsh h ARG 99 Ca 0.50 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1bsh h ARG 99 Cb 0.57 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1bsh h ARG 99 CO -0.27 0.75 -0.10 1.63 -1.51 0.00 0.00 179.97 180.47 1bsh n LYS 100 N -4.19 0.70 0.09 0.20 5.02 -0.16 -3.43 118.16 116.39 1bsh n LYS 100 Ca 0.01 -0.23 0.10 0.00 -2.02 0.00 0.00 58.31 56.17 1bsh n LYS 100 Cb 0.33 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 -0.95 2.43 0.03 7.82 0.00 -0.13 -3.97 120.51 125.75 1bsh n ALA 101 Ca 0.15 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1bsh n ALA 101 Cb 0.27 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 1bsh n ALA 101 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bsh h GLU 102 N 0.00 0.54 0.00 0.00 4.57 -1.55 -2.99 114.58 115.16 1bsh h GLU 102 Ca -0.03 -0.45 -0.03 0.00 -1.18 0.00 0.00 59.36 57.67 1bsh h GLU 102 Cb 1.10 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1bsh h GLU 102 CO 0.01 1.08 -0.12 1.49 -1.18 0.00 0.00 179.01 180.29 1bsh h GLU 103 N 0.36 0.00 0.08 1.92 4.81 -1.72 -2.30 114.58 117.73 1bsh h GLU 103 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1bsh h GLU 103 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1bsh h GLU 103 CO 0.14 0.12 -0.04 1.25 -0.73 0.00 0.00 179.01 179.76 1bsh h HIS 104 N 0.00 -0.10 -0.32 0.92 2.76 -1.65 -3.08 115.15 113.68 1bsh h HIS 104 Ca -0.00 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1bsh h HIS 104 Cb 0.51 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 29.47 1bsh h HIS 104 CO 0.00 0.37 0.09 -0.89 -1.30 0.00 0.00 177.93 176.20 1bsh n ILE 105 N -4.90 1.48 -0.19 6.26 5.41 -1.17 -4.49 119.36 121.77 1bsh n ILE 105 Ca -0.08 -0.71 -0.06 0.00 1.00 0.00 0.00 62.75 62.89 1bsh n ILE 105 Cb 0.27 -0.50 -0.01 0.00 -0.71 0.00 0.00 39.64 38.69 1bsh n ILE 105 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 1bsh h SER 106 N 1.45 -1.23 -3.11 4.38 4.64 -1.32 -3.37 113.55 114.99 1bsh h SER 106 Ca 0.08 0.23 -0.61 0.00 -0.47 0.00 0.00 61.79 61.01 1bsh h SER 106 Cb 1.38 0.59 -0.10 0.00 -0.31 0.00 0.00 62.40 63.96 1bsh h SER 106 CO 0.31 -0.32 -0.43 -0.44 -0.87 0.00 0.00 176.83 175.08 1bsh s SER 107 N -5.15 6.34 -0.28 4.97 0.01 -1.26 -5.07 113.70 113.26 1bsh s SER 107 Ca -0.14 0.39 -0.24 0.00 1.31 0.00 0.00 55.95 57.27 1bsh s SER 107 Cb 0.15 -2.11 0.09 0.00 0.21 0.00 0.00 66.02 64.35 1bsh s SER 107 CO 0.68 0.22 0.82 -0.55 0.41 0.00 0.00 173.24 174.83 1bsh s SER 108 N -0.02 -0.67 0.11 2.44 0.15 -1.26 -4.98 113.70 109.47 1bsh s SER 108 Ca 0.12 1.26 -0.26 0.00 0.70 0.00 0.00 55.95 57.77 1bsh s SER 108 Cb -0.12 1.28 0.08 0.00 -1.71 0.00 0.00 66.02 65.54 1bsh s SER 108 CO 0.02 -0.21 1.02 -1.38 1.20 0.00 0.00 173.24 173.88 1bsh s HIS 109 N 0.47 -0.13 0.00 3.44 -3.43 -1.26 -5.00 115.29 109.37 1bsh s HIS 109 Ca -0.00 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 1bsh s HIS 109 Cb -0.05 0.61 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1bsh s HIS 109 CO -0.03 -0.70 0.00 0.41 -2.00 0.00 0.00 174.74 172.41 1bsh n GLY 110 N -0.45 -2.59 3.78 -1.38 0.00 -1.26 -4.33 105.19 98.96 1bsh n GLY 110 Ca -0.07 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1bsh n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bsh s ASP 111 N -2.67 6.11 -0.15 1.61 2.15 -1.26 -4.33 116.67 118.14 1bsh s ASP 111 Ca 0.00 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.29 1bsh s ASP 111 Cb 0.00 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 1bsh s ASP 111 CO 0.00 0.30 0.00 1.33 -0.17 0.00 0.00 175.17 176.63 1bsh n VAL 112 N 2.72 -0.07 0.00 1.11 0.24 -1.26 -4.82 118.33 116.25 1bsh n VAL 112 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1bsh n VAL 112 Cb 0.53 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 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 -1.21 0.00 0.26 -1.34 -0.08 -1.26 -3.76 116.55 109.16 1bsh n ASP 113 Ca -0.02 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.41 1bsh n ASP 113 Cb 0.45 0.00 0.64 0.00 2.34 0.00 0.00 41.12 44.55 1bsh n ASP 113 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1bsh h TYR 114 N 0.00 0.00 -0.83 -0.67 5.03 -1.88 -2.74 116.97 115.88 1bsh h TYR 114 Ca 0.00 0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.40 1bsh h TYR 114 Cb 0.00 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.21 1bsh h TYR 114 CO 0.00 0.08 0.48 0.00 -1.32 0.00 0.00 178.16 177.40 1bsh h ALA 115 N 1.92 1.18 -0.28 1.82 0.00 -1.92 0.63 119.26 122.61 1bsh h ALA 115 Ca -0.00 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1bsh h ALA 115 Cb 0.55 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1bsh h ALA 115 CO 0.01 0.11 0.10 1.96 0.00 0.00 0.00 179.25 181.43 1bsh h GLN 116 N 0.81 0.43 0.00 0.00 4.20 -1.57 -1.35 115.11 117.62 1bsh h GLN 116 Ca 0.40 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 59.02 1bsh h GLN 116 Cb 0.35 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1bsh h GLN 116 CO -0.24 0.47 0.00 0.00 -0.67 0.00 0.00 178.83 178.39 1bsh n ALA 117 N -2.28 1.52 1.75 3.87 0.00 -0.58 -1.73 120.51 123.07 1bsh n ALA 117 Ca -0.02 -0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1bsh n ALA 117 Cb 0.15 -1.23 0.36 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.69 0.50 0.04 0.00 2.88 0.11 -3.63 113.62 111.83 1bsh n SER 118 Ca 0.02 -1.66 -0.22 0.00 -1.33 0.00 0.00 58.87 55.68 1bsh n SER 118 Cb 0.15 -0.04 -0.14 0.00 -0.75 0.00 0.00 64.21 63.42 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bsh h ALA 119 N 3.55 0.20 0.00 -1.46 0.00 -1.41 -3.27 119.26 116.87 1bsh h ALA 119 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1bsh h ALA 119 Cb 0.14 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1bsh h ALA 119 CO 0.00 1.00 0.00 1.05 0.00 0.00 0.00 179.25 181.30 1bsh h GLU 120 N -0.03 0.00 0.28 0.00 4.11 -1.77 -3.19 114.58 113.97 1bsh h GLU 120 Ca -0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.07 1bsh h GLU 120 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1bsh h GLU 120 CO 0.13 0.00 -0.13 1.25 0.07 0.00 0.00 179.01 180.32 1bsh h LEU 121 N 0.00 -0.32 -1.88 3.06 6.46 -1.67 -3.11 115.31 117.85 1bsh h LEU 121 Ca 0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1bsh h LEU 121 Cb 0.79 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.80 1bsh h LEU 121 CO 0.00 -0.03 0.28 0.00 -0.62 0.00 0.00 178.44 178.07 1bsh h ALA 122 N -1.43 1.27 -1.08 1.25 0.00 -1.67 -2.04 119.26 115.56 1bsh h ALA 122 Ca -0.04 0.00 0.33 0.00 0.00 0.00 0.00 54.91 55.20 1bsh h ALA 122 Cb 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1bsh h ALA 122 CO 0.06 -0.27 0.66 -0.22 0.00 0.00 0.00 179.25 179.48 1bsh h LYS 123 N 0.00 0.29 0.00 0.00 3.64 -1.53 0.49 116.57 119.46 1bsh h LYS 123 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1bsh h LYS 123 Cb 0.56 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1bsh h LYS 123 CO 0.00 0.19 -1.31 0.00 -2.27 0.00 0.00 179.45 176.07 1bsh n ALA 124 N -2.38 2.15 1.62 5.00 0.00 -0.76 -3.77 120.51 122.36 1bsh n ALA 124 Ca 0.31 -0.45 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1bsh n ALA 124 Cb 1.05 -0.99 0.78 0.00 0.00 0.00 0.00 19.45 20.29 1bsh n ALA 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bsh n ILE 125 N -2.80 0.03 0.21 0.00 -0.00 0.16 -3.01 119.36 113.95 1bsh n ILE 125 Ca -0.07 0.01 0.09 0.00 -0.00 0.00 0.00 62.75 62.78 1bsh n ILE 125 Cb 0.74 -0.58 0.38 0.00 -0.00 0.00 0.00 39.64 40.18 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 3.62 0.98 0.03 -1.39 0.00 -1.37 -3.10 119.26 118.03 1bsh h ALA 126 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 1bsh h ALA 126 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1bsh h ALA 126 CO 0.00 0.33 -1.76 0.00 0.00 0.00 0.00 179.25 177.82 1bsh n GLN 127 N -3.38 0.66 0.31 0.00 10.64 -1.16 -3.40 117.38 121.05 1bsh n GLN 127 Ca 0.00 0.29 0.20 0.00 -1.83 0.00 0.00 57.00 55.67 1bsh n GLN 127 Cb 0.48 -1.78 1.01 0.00 -0.86 0.00 0.00 30.24 29.09 1bsh n GLN 127 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1bsh h LEU 128 N 0.02 0.00 0.02 2.61 6.46 -1.66 -1.50 115.31 121.26 1bsh h LEU 128 Ca -0.31 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.19 1bsh h LEU 128 Cb 2.02 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.92 1bsh h LEU 128 CO 0.08 0.01 -1.43 0.54 -0.62 0.00 0.00 178.44 177.03 1bsh n ARG 129 N -3.19 0.60 0.25 1.25 1.74 -1.19 -2.22 116.66 113.90 1bsh n ARG 129 Ca -0.02 0.51 0.08 0.00 -0.77 0.00 0.00 57.85 57.65 1bsh n ARG 129 Cb 0.15 -1.74 0.61 0.00 -1.02 0.00 0.00 32.46 30.47 1bsh n ARG 129 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1bsh h VAL 130 N -0.79 0.97 0.00 1.55 3.04 -1.54 -1.57 116.25 117.91 1bsh h VAL 130 Ca -0.37 -0.36 -0.29 0.00 -1.01 0.00 0.00 66.70 64.67 1bsh h VAL 130 Cb 1.45 1.20 -0.05 0.00 -2.01 0.00 0.00 31.29 31.88 1bsh h VAL 130 CO -0.16 0.10 -1.73 0.00 -1.01 0.00 0.00 177.57 174.77 1bsh n ILE 131 N -4.27 1.57 0.06 3.17 3.06 -0.58 -4.03 119.36 118.35 1bsh n ILE 131 Ca -0.03 -0.79 -0.08 0.00 -2.50 0.00 0.00 62.75 59.35 1bsh n ILE 131 Cb 0.18 -0.99 0.07 0.00 0.54 0.00 0.00 39.64 39.44 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 0.33 -0.21 9.51 4.39 -1.02 -2.85 114.58 124.73 1bsh h GLU 132 Ca -0.29 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.15 1bsh h GLU 132 Cb 2.00 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.70 1bsh h GLU 132 CO 0.07 0.88 0.00 1.47 -1.16 0.00 0.00 179.01 180.28 1bsh n LEU 133 N -3.85 0.83 -0.00 1.33 -0.00 -0.63 -3.49 117.00 111.18 1bsh n LEU 133 Ca -0.03 -0.41 0.13 0.00 -0.00 0.00 0.00 56.01 55.70 1bsh n LEU 133 Cb 0.67 -0.13 0.52 0.00 -0.00 0.00 0.00 43.42 44.47 1bsh n LEU 133 CO 0.46 0.19 0.81 0.35 -0.00 0.00 0.00 177.39 179.21 1bsh n THR 134 N -0.08 0.00 -0.05 1.47 -2.24 -1.08 -2.96 114.28 109.34 1bsh n THR 134 Ca 0.05 -0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.63 1bsh n THR 134 Cb 0.14 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 67.98 1bsh n THR 134 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1bsh h LYS 135 N 0.02 0.09 -0.00 -0.78 2.10 -1.78 -3.32 116.57 112.90 1bsh h LYS 135 Ca 0.00 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1bsh h LYS 135 Cb 0.49 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1bsh h LYS 135 CO 0.00 1.07 -0.00 1.17 -2.00 0.00 0.00 179.45 179.69 1bsh n LYS 136 N -4.34 0.73 0.21 0.07 3.00 -1.25 -3.19 118.16 113.39 1bsh n LYS 136 Ca -0.21 -0.01 0.09 0.00 -0.00 0.00 0.00 58.31 58.18 1bsh n LYS 136 Cb 0.68 -1.50 0.27 0.00 0.00 0.00 0.00 35.03 34.48 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bsh h ALA 137 N 3.72 0.91 0.00 3.14 0.00 -1.63 -3.53 119.26 121.88 1bsh h ALA 137 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1bsh h ALA 137 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bsh h ALA 137 CO 0.00 0.25 0.00 -1.33 0.00 0.00 0.00 179.25 178.17