#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 3.14 0.00 0.00 1.00 -1.26 -4.94 119.30 117.24 1bsh s MET 2 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 55.69 54.11 1bsh s MET 2 Cb 0.00 -4.34 0.00 0.00 0.00 0.00 0.00 34.83 30.49 1bsh s MET 2 CO 0.00 -1.48 0.00 -2.37 0.00 0.00 0.00 175.02 171.17 1bsh n THR 3 N 5.28 0.00 -1.98 2.05 5.66 -1.26 -4.70 114.28 119.33 1bsh n THR 3 Ca -0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1bsh n THR 3 Cb 0.43 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.21 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n TYR 4 N 0.00 0.00 -4.80 1.09 0.18 0.36 -4.71 117.16 109.28 1bsh n TYR 4 Ca 0.00 0.00 -0.28 0.00 1.88 0.00 0.00 57.90 59.50 1bsh n TYR 4 Cb 0.00 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 38.81 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1bsh s HIS 5 N 2.02 2.01 0.22 -3.48 5.65 -0.94 0.69 115.29 121.47 1bsh s HIS 5 Ca 0.00 -0.39 0.01 0.00 0.25 0.00 0.00 55.06 54.93 1bsh s HIS 5 Cb 0.00 -1.22 -0.05 0.00 -1.18 0.00 0.00 32.58 30.14 1bsh s HIS 5 CO 0.00 0.09 0.06 -0.48 -0.65 0.00 0.00 174.74 173.76 1bsh s LEU 6 N -1.11 1.79 -0.31 8.88 0.05 -0.50 0.25 118.68 127.73 1bsh s LEU 6 Ca 0.09 -1.30 0.02 0.00 0.05 0.00 0.00 54.13 52.99 1bsh s LEU 6 Cb -0.09 0.03 0.15 0.00 -2.05 0.00 0.00 46.19 44.23 1bsh s LEU 6 CO 0.02 -0.68 0.38 -0.62 -0.55 0.00 0.00 176.35 174.90 1bsh s ASP 7 N -3.24 0.77 0.04 1.48 2.15 -0.56 -1.91 116.67 115.41 1bsh s ASP 7 Ca 0.32 -0.72 -0.02 0.00 0.43 0.00 0.00 52.55 52.56 1bsh s ASP 7 Cb 0.07 0.89 -0.04 0.00 -0.30 0.00 0.00 42.92 43.54 1bsh s ASP 7 CO 0.09 -0.34 0.22 0.68 -0.17 0.00 0.00 175.17 175.66 1bsh s VAL 8 N 2.26 5.38 -0.23 1.11 -7.23 -0.74 -2.05 120.40 118.89 1bsh s VAL 8 Ca 0.11 -0.25 -0.11 0.00 -1.81 0.00 0.00 61.98 59.92 1bsh s VAL 8 Cb -0.13 -3.60 0.08 0.00 0.56 0.00 0.00 36.38 33.29 1bsh s VAL 8 CO -0.25 0.20 0.55 -0.69 -0.31 0.00 0.00 175.10 174.60 1bsh s VAL 9 N -1.46 -0.29 -0.39 1.32 1.01 -0.96 -3.97 120.40 115.67 1bsh s VAL 9 Ca 0.33 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1bsh s VAL 9 Cb -0.13 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.52 1bsh s VAL 9 CO 0.24 0.02 0.18 -0.55 0.00 0.00 0.00 175.10 174.99 1bsh s SER 10 N 1.94 5.33 0.46 3.32 0.15 -1.26 -2.33 113.70 121.31 1bsh s SER 10 Ca -0.08 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 54.95 1bsh s SER 10 Cb -0.08 -1.87 0.00 0.00 -1.71 0.00 0.00 66.02 62.36 1bsh s SER 10 CO -0.16 -0.47 0.00 0.00 1.20 0.00 0.00 173.24 173.81 1bsh n ALA 11 N 4.74 0.00 -3.02 5.45 0.00 -1.01 -2.31 120.51 124.35 1bsh n ALA 11 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.20 1bsh n ALA 11 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 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 1.11 -4.46 0.00 4.71 -1.26 -5.10 120.64 115.64 1bsh n GLU 12 Ca 0.00 -3.39 -0.22 0.00 -0.01 0.00 0.00 57.16 53.54 1bsh n GLU 12 Cb 0.00 -1.59 -0.11 0.00 -1.01 0.00 0.00 31.44 28.73 1bsh n GLU 12 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1bsh s GLN 13 N -2.68 1.67 -0.30 3.49 2.00 -0.98 -5.12 119.66 117.74 1bsh s GLN 13 Ca 0.36 -1.92 -0.04 0.00 -2.00 0.00 0.00 55.36 51.76 1bsh s GLN 13 Cb 0.38 -0.90 0.04 0.00 0.80 0.00 0.00 33.01 33.33 1bsh s GLN 13 CO -0.05 -0.18 0.03 -1.14 -0.50 0.00 0.00 175.29 173.45 1bsh s GLN 14 N -3.88 2.64 0.00 1.67 -0.44 -1.26 -4.43 119.66 113.95 1bsh s GLN 14 Ca 0.37 -1.14 0.00 0.00 -2.50 0.00 0.00 55.36 52.09 1bsh s GLN 14 Cb 0.09 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 28.21 1bsh s GLN 14 CO 0.16 -0.57 0.00 -1.33 0.50 0.00 0.00 175.29 174.05 1bsh n MET 15 N 4.71 0.00 -4.30 1.67 2.81 -1.26 -5.06 117.12 115.69 1bsh n MET 15 Ca -0.14 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.56 1bsh n MET 15 Cb 0.45 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.83 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 1.23 -0.32 2.03 5.36 -1.25 -5.04 117.98 119.99 1bsh s PHE 16 Ca 0.00 -0.39 -0.09 0.00 -0.96 0.00 0.00 56.93 55.49 1bsh s PHE 16 Cb 0.00 -0.72 0.19 0.00 -0.34 0.00 0.00 43.02 42.15 1bsh s PHE 16 CO 0.00 0.04 1.04 -1.54 -1.46 0.00 0.00 175.22 173.30 1bsh s SER 17 N -1.33 -0.39 0.00 6.13 1.04 -1.26 -1.79 113.70 116.10 1bsh s SER 17 Ca 0.01 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1bsh s SER 17 Cb -0.09 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1bsh s SER 17 CO 0.02 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.79 1bsh n GLY 18 N 4.14 -0.42 3.50 7.32 0.00 -0.80 -5.01 105.19 113.91 1bsh n GLY 18 Ca 0.07 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 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 0.51 0.00 0.99 1.43 -1.26 -1.41 118.68 118.94 1bsh s LEU 19 Ca 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1bsh s LEU 19 Cb 0.00 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.21 1bsh s LEU 19 CO 0.00 -4.25 0.00 0.55 0.23 0.00 0.00 176.35 172.88 1bsh n VAL 20 N -4.92 0.00 0.00 -1.59 3.14 0.22 -4.45 118.33 110.73 1bsh n VAL 20 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1bsh n VAL 20 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 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 -0.33 0.00 -3.38 1.45 0.00 -1.10 0.13 120.64 117.42 1bsh n GLU 21 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 1bsh n GLU 21 Cb 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 31.44 31.24 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 1bsh s LYS 22 N -1.71 4.21 -0.45 5.31 2.20 -1.15 -4.04 119.74 124.10 1bsh s LYS 22 Ca 0.00 0.24 0.07 0.00 -0.36 0.00 0.00 55.97 55.92 1bsh s LYS 22 Cb 0.00 -3.51 0.27 0.00 -1.51 0.00 0.00 37.83 33.08 1bsh s LYS 22 CO 0.00 0.01 0.88 0.44 -0.36 0.00 0.00 175.35 176.32 1bsh n ILE 23 N 4.18 -0.13 -3.69 5.43 -0.00 -1.12 -1.23 119.36 122.80 1bsh n ILE 23 Ca -0.08 -2.19 -0.36 0.00 -0.00 0.00 0.00 62.75 60.12 1bsh n ILE 23 Cb 0.51 0.79 -0.07 0.00 -0.00 0.00 0.00 39.64 40.87 1bsh n ILE 23 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 1bsh s GLN 24 N -0.02 4.06 -0.01 6.28 0.74 -0.93 0.24 119.66 130.02 1bsh s GLN 24 Ca 0.30 -0.08 0.08 0.00 0.05 0.00 0.00 55.36 55.72 1bsh s GLN 24 Cb 0.25 -3.37 -0.02 0.00 1.10 0.00 0.00 33.01 30.97 1bsh s GLN 24 CO -0.15 0.39 -0.26 0.54 -0.55 0.00 0.00 175.29 175.25 1bsh s VAL 25 N 0.08 2.07 -0.11 1.34 0.11 -1.26 -1.15 120.40 121.48 1bsh s VAL 25 Ca 0.13 -1.14 0.01 0.00 -2.93 0.00 0.00 61.98 58.04 1bsh s VAL 25 Cb -0.12 -1.72 -0.02 0.00 -1.53 0.00 0.00 36.38 32.99 1bsh s VAL 25 CO 0.02 0.55 -0.14 -0.89 -3.33 0.00 0.00 175.10 171.31 1bsh s THR 26 N -0.64 2.97 0.00 5.04 2.01 -0.33 -3.57 115.64 121.13 1bsh s THR 26 Ca 0.10 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.40 1bsh s THR 26 Cb -0.10 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1bsh s THR 26 CO -0.01 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1bsh n GLY 27 N 3.25 2.59 3.27 4.40 0.00 -1.26 -2.75 105.19 114.69 1bsh n GLY 27 Ca -0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 1.16 -0.09 -1.53 1.61 0.15 -1.26 -4.90 113.70 108.84 1bsh s SER 28 Ca 0.00 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 1bsh s SER 28 Cb 0.00 0.41 0.08 0.00 -1.71 0.00 0.00 66.02 64.80 1bsh s SER 28 CO 0.00 -0.78 0.82 -0.62 1.20 0.00 0.00 173.24 173.86 1bsh n GLU 29 N -0.09 -4.54 -1.66 5.44 1.02 -1.26 -4.76 120.64 114.79 1bsh n GLU 29 Ca -0.16 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1bsh n GLU 29 Cb 0.63 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1bsh n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bsh n GLY 30 N -1.64 -0.16 0.00 0.62 0.00 -1.26 -5.18 105.19 97.57 1bsh n GLY 30 Ca -0.04 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1bsh n GLY 30 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bsh n GLU 31 N -0.41 0.00 -1.90 1.61 0.28 -1.26 -4.45 120.64 114.51 1bsh n GLU 31 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1bsh n GLU 31 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1bsh n GLU 31 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1bsh n LEU 32 N 0.00 -6.20 0.00 -1.84 4.77 -1.23 -4.91 117.00 107.59 1bsh n LEU 32 Ca 0.00 3.35 0.00 0.00 -0.03 0.00 0.00 56.01 59.33 1bsh n LEU 32 Cb 0.00 -3.26 0.00 0.00 -2.33 0.00 0.00 43.42 37.83 1bsh n LEU 32 CO 0.00 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 1bsh n GLY 33 N 0.41 -0.34 3.50 -0.72 0.00 -1.24 -4.38 105.19 102.42 1bsh n GLY 33 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.00 0.30 -0.61 -1.09 0.14 -4.87 121.20 115.07 1bsh s ILE 34 Ca 0.00 -0.10 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1bsh s ILE 34 Cb 0.00 -1.12 0.01 0.00 -1.58 0.00 0.00 42.46 39.77 1bsh s ILE 34 CO 0.00 0.00 0.58 -0.72 -1.23 0.00 0.00 174.94 173.57 1bsh s TYR 35 N -3.51 0.36 -0.84 3.97 1.13 -1.26 -2.80 117.35 114.39 1bsh s TYR 35 Ca 0.04 -0.77 -0.25 0.00 -1.41 0.00 0.00 57.07 54.67 1bsh s TYR 35 Cb -0.01 0.36 0.01 0.00 -1.10 0.00 0.00 41.96 41.21 1bsh s TYR 35 CO -0.09 -1.18 1.59 -1.25 -2.51 0.00 0.00 175.55 172.10 1bsh s PRO 36 N -3.47 3.08 0.00 -3.49 0.04 -1.26 -2.82 135.00 127.08 1bsh s PRO 36 Ca 0.21 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1bsh s PRO 36 Cb -0.02 -4.80 0.00 0.00 0.04 0.00 0.00 34.50 29.72 1bsh s PRO 36 CO 0.11 -2.55 0.00 0.41 0.04 0.00 0.00 177.00 175.02 1bsh n GLY 37 N 6.25 0.60 2.70 0.56 0.00 -1.26 -4.90 105.19 109.14 1bsh n GLY 37 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.55 -3.55 1.61 -0.00 -1.13 -5.03 115.22 103.58 1bsh n HIS 38 Ca 0.00 -0.70 -0.20 0.00 0.46 0.00 0.00 57.72 57.28 1bsh n HIS 38 Cb 0.00 -1.05 -0.02 0.00 -0.12 0.00 0.00 29.99 28.80 1bsh n HIS 38 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1bsh s ALA 39 N -2.16 4.08 -1.31 1.57 0.00 -1.26 -5.02 121.76 117.67 1bsh s ALA 39 Ca 0.57 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1bsh s ALA 39 Cb -0.10 -1.24 0.05 0.00 0.00 0.00 0.00 23.12 21.82 1bsh s ALA 39 CO 0.47 -0.13 1.85 -0.35 0.00 0.00 0.00 175.76 177.61 1bsh n PRO 40 N -1.55 2.96 -3.92 0.00 -0.04 -1.26 -4.85 135.00 126.33 1bsh n PRO 40 Ca 0.02 -3.05 -0.26 0.00 -0.04 0.00 0.00 63.50 60.18 1bsh n PRO 40 Cb 0.60 -3.47 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 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 4.35 4.33 -0.33 1.53 1.43 -1.26 -4.93 118.68 123.80 1bsh s LEU 41 Ca 0.54 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1bsh s LEU 41 Cb 0.06 -2.93 0.10 0.00 0.03 0.00 0.00 46.19 43.45 1bsh s LEU 41 CO 0.05 0.03 0.08 -0.22 0.23 0.00 0.00 176.35 176.53 1bsh s LEU 42 N -3.30 3.35 0.00 1.79 2.96 -1.26 -2.81 118.68 119.41 1bsh s LEU 42 Ca 0.35 -1.90 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 1bsh s LEU 42 Cb -0.11 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.38 1bsh s LEU 42 CO 0.29 -0.40 0.00 0.35 -1.32 0.00 0.00 176.35 175.27 1bsh n THR 43 N 4.55 0.00 -3.12 3.68 -2.24 -1.19 -5.06 114.28 110.90 1bsh n THR 43 Ca 0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.75 1bsh n THR 43 Cb 0.42 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.66 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 0.24 -3.39 6.98 0.00 -1.26 -2.38 120.51 117.70 1bsh n ALA 44 Ca 0.00 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 52.64 1bsh n ALA 44 Cb 0.00 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.45 1bsh n ALA 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bsh s ILE 45 N 0.09 3.57 1.03 0.00 1.09 -1.10 -4.53 121.20 121.34 1bsh s ILE 45 Ca 0.11 -0.67 -0.12 0.00 -1.10 0.00 0.00 60.65 58.88 1bsh s ILE 45 Cb -0.01 -2.76 0.21 0.00 -1.06 0.00 0.00 42.46 38.84 1bsh s ILE 45 CO 0.07 0.23 1.07 -0.54 -0.10 0.00 0.00 174.94 175.68 1bsh s LYS 46 N 1.46 0.11 -0.20 2.79 3.01 -1.26 -4.38 119.74 121.27 1bsh s LYS 46 Ca 0.03 0.99 -0.29 0.00 -1.01 0.00 0.00 55.97 55.69 1bsh s LYS 46 Cb -0.16 -1.66 0.00 0.00 -1.01 0.00 0.00 37.83 35.00 1bsh s LYS 46 CO -0.01 -3.07 1.11 -1.25 0.51 0.00 0.00 175.35 172.65 1bsh s PRO 47 N -4.65 4.26 0.00 -1.68 0.04 -1.26 -4.64 135.00 127.08 1bsh s PRO 47 Ca 0.67 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1bsh s PRO 47 Cb -0.22 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1bsh s PRO 47 CO 0.61 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 177.42 1bsh n GLY 48 N 3.40 -0.55 3.72 0.56 0.00 -1.14 -4.32 105.19 106.86 1bsh n GLY 48 Ca 0.12 -0.81 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.35 2.12 -0.19 1.61 0.23 -1.11 -2.92 119.30 117.68 1bsh s MET 49 Ca 0.00 -2.24 -0.12 0.00 -1.03 0.00 0.00 55.69 52.30 1bsh s MET 49 Cb 0.00 -1.63 0.06 0.00 -1.53 0.00 0.00 34.83 31.73 1bsh s MET 49 CO 0.00 -0.25 0.48 -1.50 -2.03 0.00 0.00 175.02 171.72 1bsh s ILE 50 N -2.79 -0.02 0.10 3.16 2.07 -0.53 -1.19 121.20 122.00 1bsh s ILE 50 Ca 0.20 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.50 1bsh s ILE 50 Cb 0.05 -0.70 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 1bsh s ILE 50 CO 0.10 0.02 0.26 0.00 -1.91 0.00 0.00 174.94 173.42 1bsh s ARG 51 N 1.27 3.47 -0.02 3.50 3.03 -0.30 -2.05 118.95 127.85 1bsh s ARG 51 Ca -0.08 -0.42 -0.03 0.00 2.03 0.00 0.00 55.73 57.22 1bsh s ARG 51 Cb -0.07 -2.99 0.00 0.00 -1.03 0.00 0.00 34.95 30.86 1bsh s ARG 51 CO -0.12 0.56 0.08 -1.50 -1.13 0.00 0.00 175.30 173.19 1bsh s ILE 52 N -1.60 0.03 -0.28 4.99 2.07 -0.97 -2.20 121.20 123.24 1bsh s ILE 52 Ca 0.36 -0.28 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1bsh s ILE 52 Cb -0.12 -0.21 0.08 0.00 0.13 0.00 0.00 42.46 42.34 1bsh s ILE 52 CO 0.28 -0.15 0.03 -0.69 -1.91 0.00 0.00 174.94 172.50 1bsh s VAL 53 N -0.47 1.36 0.29 4.00 1.01 -0.37 -1.84 120.40 124.38 1bsh s VAL 53 Ca -0.05 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 1bsh s VAL 53 Cb -0.03 -1.88 -0.11 0.00 0.00 0.00 0.00 36.38 34.36 1bsh s VAL 53 CO 0.00 -0.44 1.47 -0.75 0.00 0.00 0.00 175.10 175.38 1bsh s LYS 54 N 1.41 4.22 1.21 2.72 2.36 0.16 -2.70 119.74 129.11 1bsh s LYS 54 Ca 0.04 2.40 0.00 0.00 -2.55 0.00 0.00 55.97 55.86 1bsh s LYS 54 Cb -0.18 -3.06 0.00 0.00 -1.05 0.00 0.00 37.83 33.53 1bsh s LYS 54 CO -0.14 -0.46 0.00 1.04 1.55 0.00 0.00 175.35 177.34 1bsh n GLN 55 N 1.84 0.00 -0.58 4.03 1.13 -1.26 -2.48 117.38 120.06 1bsh n GLN 55 Ca 0.05 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.10 1bsh n GLN 55 Cb 0.40 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.74 1bsh n GLN 55 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1bsh n HIS 56 N 0.00 0.00 0.06 1.08 -0.00 -1.26 -4.60 115.22 110.50 1bsh n HIS 56 Ca 0.00 -0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.11 1bsh n HIS 56 Cb 0.00 0.28 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 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 0.00 -0.23 3.77 1.57 0.00 -1.04 -5.08 105.19 104.19 1bsh n GLY 57 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.47 3.14 -0.03 1.61 3.76 -1.24 -4.88 115.29 116.17 1bsh s HIS 58 Ca 0.00 1.53 -0.01 0.00 -0.15 0.00 0.00 55.06 56.43 1bsh s HIS 58 Cb 0.00 -3.47 0.03 0.00 1.11 0.00 0.00 32.58 30.25 1bsh s HIS 58 CO 0.00 -1.38 0.07 -1.83 -0.85 0.00 0.00 174.74 170.75 1bsh s GLU 59 N -2.00 0.02 0.18 1.40 -1.05 -1.26 0.36 118.70 116.34 1bsh s GLU 59 Ca 0.52 0.23 0.11 0.00 -0.15 0.00 0.00 54.97 55.68 1bsh s GLU 59 Cb -0.34 -0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.12 1bsh s GLU 59 CO 0.44 -0.14 -0.23 -2.00 0.95 0.00 0.00 175.26 174.27 1bsh s GLU 60 N 0.94 1.45 0.16 -4.83 2.12 -0.77 -4.94 118.70 112.83 1bsh s GLU 60 Ca -0.08 -1.48 0.03 0.00 0.36 0.00 0.00 54.97 53.81 1bsh s GLU 60 Cb -0.11 -1.75 -0.03 0.00 0.26 0.00 0.00 34.13 32.50 1bsh s GLU 60 CO -0.03 0.38 0.28 -0.06 -0.54 0.00 0.00 175.26 175.29 1bsh s PHE 61 N -1.65 3.45 0.14 5.30 0.40 -1.26 -2.30 117.98 122.06 1bsh s PHE 61 Ca 0.19 0.09 -0.17 0.00 -0.60 0.00 0.00 56.93 56.44 1bsh s PHE 61 Cb -0.08 -1.64 0.04 0.00 0.51 0.00 0.00 43.02 41.85 1bsh s PHE 61 CO 0.09 0.51 0.45 0.42 0.70 0.00 0.00 175.22 177.38 1bsh s ILE 62 N -1.77 0.05 -0.04 0.64 1.01 -0.87 -4.19 121.20 116.02 1bsh s ILE 62 Ca 0.34 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 60.17 1bsh s ILE 62 Cb -0.11 -1.20 0.09 0.00 0.01 0.00 0.00 42.46 41.25 1bsh s ILE 62 CO 0.28 -0.24 0.79 -0.47 0.00 0.00 0.00 174.94 175.30 1bsh s TYR 63 N -3.81 -0.51 -0.24 3.97 6.14 -1.11 -1.45 117.35 120.33 1bsh s TYR 63 Ca 0.04 0.73 -0.37 0.00 0.64 0.00 0.00 57.07 58.11 1bsh s TYR 63 Cb 0.01 0.46 0.16 0.00 0.42 0.00 0.00 41.96 43.01 1bsh s TYR 63 CO -0.11 -0.56 1.41 -0.48 0.64 0.00 0.00 175.55 176.45 1bsh s LEU 64 N -1.59 -0.00 -0.17 6.97 2.34 -1.15 -2.29 118.68 122.79 1bsh s LEU 64 Ca -0.04 -0.00 0.21 0.00 0.06 0.00 0.00 54.13 54.36 1bsh s LEU 64 Cb -0.00 1.01 0.44 0.00 -0.56 0.00 0.00 46.19 47.08 1bsh s LEU 64 CO 0.01 -0.01 1.17 -1.20 -1.06 0.00 0.00 176.35 175.27 1bsh n SER 65 N -0.14 0.90 -3.19 1.48 7.64 -1.26 -2.90 113.62 116.15 1bsh n SER 65 Ca 0.02 -2.03 0.04 0.00 1.01 0.00 0.00 58.87 57.91 1bsh n SER 65 Cb 0.58 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 1bsh n SER 65 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1bsh s GLY 66 N -2.76 -0.03 0.00 0.23 0.00 -1.26 -4.74 107.32 98.76 1bsh s GLY 66 Ca 0.26 3.23 0.00 0.00 0.00 0.00 0.00 44.72 48.21 1bsh s GLY 66 CO -0.09 3.64 0.00 0.61 0.00 0.00 0.00 173.10 177.26 1bsh n GLY 67 N 5.09 -2.41 3.05 0.20 0.00 -1.26 -3.35 105.19 106.51 1bsh n GLY 67 Ca -0.08 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.20 1.05 0.05 -0.61 1.09 -0.95 -2.73 121.20 116.90 1bsh s ILE 68 Ca 0.00 -0.51 0.09 0.00 -1.10 0.00 0.00 60.65 59.13 1bsh s ILE 68 Cb 0.00 -0.92 -0.03 0.00 -1.06 0.00 0.00 42.46 40.45 1bsh s ILE 68 CO 0.00 0.32 -0.25 -0.22 -0.10 0.00 0.00 174.94 174.69 1bsh s LEU 69 N 0.15 2.18 -0.04 2.97 0.20 -1.00 -2.34 118.68 120.81 1bsh s LEU 69 Ca -0.04 -0.59 0.01 0.00 0.69 0.00 0.00 54.13 54.20 1bsh s LEU 69 Cb -0.10 -1.18 0.02 0.00 -0.43 0.00 0.00 46.19 44.51 1bsh s LEU 69 CO 0.01 0.22 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.57 1bsh s GLU 70 N -1.31 0.60 -0.25 1.98 2.12 -0.69 -3.19 118.70 117.97 1bsh s GLU 70 Ca 0.11 -0.03 -0.11 0.00 0.36 0.00 0.00 54.97 55.30 1bsh s GLU 70 Cb -0.10 -0.68 -0.05 0.00 0.26 0.00 0.00 34.13 33.56 1bsh s GLU 70 CO 0.02 -0.10 0.17 0.54 -0.54 0.00 0.00 175.26 175.35 1bsh s VAL 71 N 0.96 5.33 0.49 3.70 0.11 -1.12 -2.68 120.40 127.19 1bsh s VAL 71 Ca -0.11 0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.20 1bsh s VAL 71 Cb -0.14 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.25 1bsh s VAL 71 CO -0.01 0.32 0.62 -1.10 -3.33 0.00 0.00 175.10 171.60 1bsh s GLN 72 N 1.24 2.54 -1.32 1.54 1.11 -0.36 -4.00 119.66 120.40 1bsh s GLN 72 Ca 0.07 -1.51 -0.16 0.00 0.01 0.00 0.00 55.36 53.78 1bsh s GLN 72 Cb -0.14 -2.61 0.01 0.00 -1.01 0.00 0.00 33.01 29.26 1bsh s GLN 72 CO 0.06 -0.52 2.08 -0.35 0.01 0.00 0.00 175.29 176.56 1bsh n PRO 73 N -1.96 2.68 0.00 2.91 -0.04 -1.26 -3.40 135.00 133.93 1bsh n PRO 73 Ca 0.10 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.93 1bsh n PRO 73 Cb 0.61 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 1bsh n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bsh n GLY 74 N 4.49 1.40 2.11 0.55 0.00 -1.26 -5.11 105.19 107.38 1bsh n GLY 74 Ca 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.72 -3.71 1.61 3.02 -1.22 -2.21 115.26 112.03 1bsh n ASN 75 Ca 0.00 -2.28 -0.09 0.00 -0.03 0.00 0.00 54.58 52.18 1bsh n ASN 75 Cb 0.00 1.43 -0.03 0.00 -0.61 0.00 0.00 39.78 40.57 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 -2.74 0.01 -0.28 2.41 1.01 0.70 -1.22 120.40 120.28 1bsh s VAL 76 Ca 0.21 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.27 1bsh s VAL 76 Cb 0.00 -1.62 0.13 0.00 0.00 0.00 0.00 36.38 34.90 1bsh s VAL 76 CO 0.15 -0.03 1.09 -0.89 0.00 0.00 0.00 175.10 175.43 1bsh s THR 77 N -3.86 0.00 -0.17 3.92 2.01 -1.09 -1.49 115.64 114.95 1bsh s THR 77 Ca 0.08 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 1bsh s THR 77 Cb -0.03 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.52 1bsh s THR 77 CO -0.01 0.00 0.48 0.54 -0.69 0.00 0.00 174.62 174.94 1bsh s VAL 78 N 0.19 0.00 0.13 3.82 0.11 -0.87 -1.70 120.40 122.08 1bsh s VAL 78 Ca 0.04 -0.01 0.09 0.00 -2.93 0.00 0.00 61.98 59.17 1bsh s VAL 78 Cb -0.05 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1bsh s VAL 78 CO -0.08 -0.01 -0.18 -0.76 -3.33 0.00 0.00 175.10 170.75 1bsh s LEU 79 N 0.19 2.70 0.33 2.54 1.43 -0.99 -2.27 118.68 122.60 1bsh s LEU 79 Ca -0.01 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.40 1bsh s LEU 79 Cb -0.03 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.68 1bsh s LEU 79 CO 0.01 0.17 0.61 0.00 0.23 0.00 0.00 176.35 177.37 1bsh s ALA 80 N -1.21 -0.21 -0.08 4.21 0.00 -0.98 -2.25 121.76 121.23 1bsh s ALA 80 Ca 0.18 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.19 1bsh s ALA 80 Cb -0.10 0.94 -0.06 0.00 0.00 0.00 0.00 23.12 23.90 1bsh s ALA 80 CO 0.10 -0.90 -0.07 -3.47 0.00 0.00 0.00 175.76 171.42 1bsh n ASP 81 N -1.04 3.34 -4.59 0.00 -0.08 -1.21 -2.41 116.55 110.55 1bsh n ASP 81 Ca -0.03 -0.04 -0.34 0.00 -1.51 0.00 0.00 54.79 52.86 1bsh n ASP 81 Cb 0.61 -0.09 -0.11 0.00 2.34 0.00 0.00 41.12 43.87 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 -2.17 3.95 0.19 5.18 2.01 -1.26 -4.66 115.64 118.89 1bsh s THR 82 Ca -0.11 -0.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.32 1bsh s THR 82 Cb 0.03 -2.67 0.05 0.00 0.01 0.00 0.00 72.50 69.92 1bsh s THR 82 CO 0.20 0.57 0.59 0.00 -0.69 0.00 0.00 174.62 175.29 1bsh s ALA 83 N -0.45 -1.30 -0.11 7.40 0.00 -1.26 -4.19 121.76 121.85 1bsh s ALA 83 Ca 0.07 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 1bsh s ALA 83 Cb -0.12 0.86 0.06 0.00 0.00 0.00 0.00 23.12 23.91 1bsh s ALA 83 CO 0.02 -0.83 0.15 0.42 0.00 0.00 0.00 175.76 175.53 1bsh s ILE 84 N -3.82 -0.23 -0.40 0.00 1.01 -0.97 -4.95 121.20 111.83 1bsh s ILE 84 Ca 0.05 0.21 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 1bsh s ILE 84 Cb -0.02 -0.39 0.03 0.00 0.01 0.00 0.00 42.46 42.09 1bsh s ILE 84 CO -0.06 0.03 0.28 0.00 0.00 0.00 0.00 174.94 175.19 1bsh s ARG 85 N 2.27 2.91 3.52 2.79 1.70 -1.26 -2.77 118.95 128.11 1bsh s ARG 85 Ca 0.04 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.23 1bsh s ARG 85 Cb -0.13 -3.91 0.00 0.00 -0.57 0.00 0.00 34.95 30.34 1bsh s ARG 85 CO -0.07 -0.76 0.00 0.41 -1.08 0.00 0.00 175.30 173.80 1bsh n GLY 86 N 5.11 0.08 1.86 3.88 0.00 -1.26 -3.64 105.19 111.21 1bsh n GLY 86 Ca -0.11 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 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 4.43 2.46 -0.46 1.61 10.64 -1.26 -4.71 117.38 130.08 1bsh n GLN 87 Ca 0.00 -3.36 0.42 0.00 -1.83 0.00 0.00 57.00 52.23 1bsh n GLN 87 Cb 0.00 -2.10 0.77 0.00 -0.86 0.00 0.00 30.24 28.05 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 1.47 0.00 -3.74 2.61 1.82 -1.95 -3.30 116.42 113.34 1bsh h ASP 88 Ca 0.44 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 56.42 1bsh h ASP 88 Cb 1.67 0.00 -0.37 0.00 0.68 0.00 0.00 39.33 41.32 1bsh h ASP 88 CO 0.93 0.00 -0.81 -0.76 -1.61 0.00 0.00 179.24 177.00 1bsh s LEU 89 N -8.05 3.17 0.63 2.28 1.43 -1.26 -5.03 118.68 111.84 1bsh s LEU 89 Ca -0.05 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1bsh s LEU 89 Cb 0.24 -1.49 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1bsh s LEU 89 CO 0.82 -0.17 0.00 0.47 0.23 0.00 0.00 176.35 177.70 1bsh n ASP 90 N 4.48 -8.16 0.00 2.29 8.00 -1.24 -5.03 116.55 116.89 1bsh n ASP 90 Ca -0.15 1.62 0.00 0.00 0.71 0.00 0.00 54.79 56.97 1bsh n ASP 90 Cb 0.43 -5.11 0.00 0.00 -0.02 0.00 0.00 41.12 36.42 1bsh n ASP 90 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1bsh n GLU 91 N -3.89 0.00 0.17 -1.24 0.28 -1.26 -4.70 120.64 109.99 1bsh n GLU 91 Ca -0.07 0.00 0.13 0.00 -0.16 0.00 0.00 57.16 57.06 1bsh n GLU 91 Cb 0.64 0.00 0.43 0.00 1.43 0.00 0.00 31.44 33.94 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 0.71 1.00 0.00 -1.84 0.00 -1.98 -2.81 119.26 114.35 1bsh h ALA 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bsh h ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.12 1bsh n ARG 93 N -2.61 1.00 0.00 0.00 3.00 -1.26 -2.91 116.66 113.87 1bsh n ARG 93 Ca 0.03 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.01 1bsh n ARG 93 Cb 0.38 -1.50 0.35 0.00 0.00 0.00 0.00 32.46 31.70 1bsh n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1bsh n ALA 94 N -1.00 3.16 0.16 5.13 0.00 -1.06 -3.76 120.51 123.16 1bsh n ALA 94 Ca 0.24 -0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.34 1bsh n ALA 94 Cb 0.11 -1.12 0.08 0.00 0.00 0.00 0.00 19.45 18.51 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 1.04 0.00 0.00 0.00 2.86 -1.73 -3.23 114.93 113.87 1bsh h MET 95 Ca 0.00 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 1bsh h MET 95 Cb 0.51 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1bsh h MET 95 CO 0.00 0.25 -1.58 0.93 1.06 0.00 0.00 176.91 177.57 1bsh h GLU 96 N 0.00 0.00 0.00 1.72 4.39 -1.78 -3.31 114.58 115.59 1bsh h GLU 96 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1bsh h GLU 96 Cb 1.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1bsh h GLU 96 CO 0.03 0.44 -0.00 0.00 -1.16 0.00 0.00 179.01 178.32 1bsh h ALA 97 N 1.14 1.00 0.00 3.43 0.00 -1.67 -2.52 119.26 120.64 1bsh h ALA 97 Ca -0.24 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 1bsh h ALA 97 Cb 1.86 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1bsh h ALA 97 CO 0.07 0.00 -1.00 -0.22 0.00 0.00 0.00 179.25 178.10 1bsh h LYS 98 N 0.00 0.00 0.02 0.00 3.64 -1.65 -3.04 116.57 115.53 1bsh h LYS 98 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1bsh h LYS 98 Cb 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1bsh h LYS 98 CO 0.00 0.47 -0.10 0.00 -2.27 0.00 0.00 179.45 177.55 1bsh h ARG 99 N 0.00 0.04 0.00 1.90 3.08 -1.58 -1.69 114.38 116.13 1bsh h ARG 99 Ca -0.08 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1bsh h ARG 99 Cb 1.54 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.61 1bsh h ARG 99 CO 0.07 1.03 -0.07 0.87 -1.07 0.00 0.00 179.97 180.79 1bsh h LYS 100 N -0.93 0.00 0.13 0.04 1.57 -1.61 -2.29 116.57 113.49 1bsh h LYS 100 Ca -0.02 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1bsh h LYS 100 Cb 1.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.41 1bsh h LYS 100 CO 0.02 0.07 -0.79 0.00 -0.57 0.00 0.00 179.45 178.19 1bsh h ALA 101 N 1.93 -0.08 -0.93 3.86 0.00 -1.58 -3.28 119.26 119.18 1bsh h ALA 101 Ca -0.00 -0.68 0.14 0.00 0.00 0.00 0.00 54.91 54.36 1bsh h ALA 101 Cb 0.16 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1bsh h ALA 101 CO 0.01 0.37 0.59 1.49 0.00 0.00 0.00 179.25 181.71 1bsh h GLU 102 N -0.37 0.76 -0.93 0.00 4.57 -0.80 -0.30 114.58 117.52 1bsh h GLU 102 Ca -0.14 -0.05 0.25 0.00 -1.18 0.00 0.00 59.36 58.25 1bsh h GLU 102 Cb 1.61 -0.17 -0.14 0.00 -0.16 0.00 0.00 28.75 29.89 1bsh h GLU 102 CO 0.15 0.50 0.41 1.49 -1.18 0.00 0.00 179.01 180.38 1bsh h GLU 103 N 0.78 0.33 -0.18 1.92 4.22 -1.48 0.51 114.58 120.69 1bsh h GLU 103 Ca 0.47 -0.02 -0.19 0.00 0.08 0.00 0.00 59.36 59.70 1bsh h GLU 103 Cb 0.67 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1bsh h GLU 103 CO -0.23 0.22 -0.67 0.45 -2.18 0.00 0.00 179.01 176.60 1bsh h HIS 104 N 0.34 0.89 -0.27 0.92 3.86 -1.21 -2.88 115.15 116.81 1bsh h HIS 104 Ca 0.61 -0.36 -0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1bsh h HIS 104 Cb 1.24 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.53 1bsh h HIS 104 CO -0.13 1.16 0.06 -0.89 0.86 0.00 0.00 177.93 178.98 1bsh n ILE 105 N -3.94 1.28 0.20 2.45 5.41 0.14 -4.39 119.36 120.51 1bsh n ILE 105 Ca -0.05 -0.60 -0.15 0.00 1.00 0.00 0.00 62.75 62.95 1bsh n ILE 105 Cb 0.68 -0.50 -0.07 0.00 -0.71 0.00 0.00 39.64 39.04 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1bsh h SER 106 N 1.33 -0.86 -4.18 4.38 0.87 -0.33 -3.42 113.55 111.34 1bsh h SER 106 Ca 0.06 0.08 -0.67 0.00 -1.23 0.00 0.00 61.79 60.02 1bsh h SER 106 Cb 1.24 0.29 -0.31 0.00 -0.44 0.00 0.00 62.40 63.18 1bsh h SER 106 CO 0.25 -0.45 -0.88 -0.44 -0.53 0.00 0.00 176.83 174.78 1bsh s SER 107 N -4.65 2.93 0.40 6.23 0.01 -1.26 -5.10 113.70 112.26 1bsh s SER 107 Ca -0.16 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.66 1bsh s SER 107 Cb 0.06 -0.65 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 1bsh s SER 107 CO 0.64 0.26 0.15 -1.54 0.41 0.00 0.00 173.24 173.15 1bsh n SER 108 N 2.81 1.10 -1.59 2.44 3.41 -1.26 -5.07 113.62 115.46 1bsh n SER 108 Ca -0.17 -3.15 0.01 0.00 -0.26 0.00 0.00 58.87 55.30 1bsh n SER 108 Cb 0.52 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1bsh n SER 108 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1bsh n HIS 109 N -0.89 -0.09 -1.08 7.33 8.25 -1.26 -5.07 115.22 122.41 1bsh n HIS 109 Ca -0.05 -0.12 0.14 0.00 -0.26 0.00 0.00 57.72 57.43 1bsh n HIS 109 Cb 0.60 0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.73 1bsh n HIS 109 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 110 N -0.19 -1.51 0.00 -1.41 0.00 -1.26 -4.04 105.19 96.78 1bsh n GLY 110 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1bsh n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bsh n ASP 111 N -4.32 0.00 -1.29 1.61 -0.08 -1.26 -4.53 116.55 106.69 1bsh n ASP 111 Ca -0.01 0.25 0.09 0.00 -1.51 0.00 0.00 54.79 53.61 1bsh n ASP 111 Cb 0.62 -0.30 0.30 0.00 2.34 0.00 0.00 41.12 44.08 1bsh n ASP 111 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1bsh n VAL 112 N -1.54 1.57 0.00 5.18 0.24 -1.26 -4.35 118.33 118.16 1bsh n VAL 112 Ca 0.00 -1.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 1bsh n VAL 112 Cb 0.00 0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.60 1bsh n VAL 112 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bsh n ASP 113 N 0.93 0.00 0.19 -1.34 2.03 -1.26 -2.48 116.55 114.62 1bsh n ASP 113 Ca 0.22 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.67 1bsh n ASP 113 Cb 0.75 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.70 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 0.00 -0.67 5.03 -1.87 -2.49 116.97 116.97 1bsh h TYR 114 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1bsh h TYR 114 Cb 0.00 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 1bsh h TYR 114 CO 0.00 0.00 -0.02 0.00 -1.32 0.00 0.00 178.16 176.82 1bsh h ALA 115 N 2.17 1.06 -0.14 1.82 0.00 -1.76 -2.71 119.26 119.70 1bsh h ALA 115 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1bsh h ALA 115 Cb 0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1bsh h ALA 115 CO 0.00 0.03 0.03 0.37 0.00 0.00 0.00 179.25 179.68 1bsh h GLN 116 N 0.00 0.23 0.00 0.00 4.15 -1.12 -1.93 115.11 116.44 1bsh h GLN 116 Ca -0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1bsh h GLN 116 Cb 0.27 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1bsh h GLN 116 CO 0.00 0.40 0.00 0.00 -1.93 0.00 0.00 178.83 177.30 1bsh n ALA 117 N -2.27 1.92 0.91 3.38 0.00 -1.03 -2.11 120.51 121.31 1bsh n ALA 117 Ca -0.05 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.44 1bsh n ALA 117 Cb 0.17 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 18.71 1bsh n ALA 117 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bsh n SER 118 N -1.30 0.39 0.03 0.00 7.64 -0.73 -3.33 113.62 116.31 1bsh n SER 118 Ca 0.08 0.11 -0.06 0.00 1.01 0.00 0.00 58.87 60.01 1bsh n SER 118 Cb 0.14 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.14 1bsh n SER 118 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bsh h ALA 119 N 2.89 0.57 0.00 -0.43 0.00 -1.41 -2.77 119.26 118.12 1bsh h ALA 119 Ca 0.00 -1.10 -0.20 0.00 0.00 0.00 0.00 54.91 53.61 1bsh h ALA 119 Cb 0.55 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1bsh h ALA 119 CO 0.00 1.32 -1.08 1.05 0.00 0.00 0.00 179.25 180.54 1bsh h GLU 120 N 0.00 0.00 0.00 0.00 -0.00 -1.70 -3.24 114.58 109.63 1bsh h GLU 120 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.22 1bsh h GLU 120 Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.58 1bsh h GLU 120 CO 0.10 0.71 -0.05 1.25 -0.00 0.00 0.00 179.01 181.02 1bsh h LEU 121 N 0.00 0.00 -1.14 3.06 6.46 -1.65 -3.33 115.31 118.70 1bsh h LEU 121 Ca -0.08 0.00 0.38 0.00 -0.12 0.00 0.00 57.88 58.06 1bsh h LEU 121 Cb 1.71 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.49 1bsh h LEU 121 CO 0.10 0.43 0.65 0.00 -0.62 0.00 0.00 178.44 179.00 1bsh h ALA 122 N -1.19 2.27 -0.44 1.25 0.00 -1.67 0.62 119.26 120.11 1bsh h ALA 122 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1bsh h ALA 122 Cb 0.05 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 1bsh h ALA 122 CO 0.00 -0.94 -0.54 0.87 0.00 0.00 0.00 179.25 178.65 1bsh h LYS 123 N 0.16 -0.35 0.00 0.00 1.57 -1.67 0.45 116.57 116.72 1bsh h LYS 123 Ca 0.79 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 59.58 1bsh h LYS 123 Cb 2.12 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 34.51 1bsh h LYS 123 CO -0.59 -0.24 -0.08 0.00 -0.57 0.00 0.00 179.45 177.98 1bsh h ALA 124 N 0.08 1.04 0.00 3.86 0.00 -1.05 -2.24 119.26 120.94 1bsh h ALA 124 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1bsh h ALA 124 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1bsh h ALA 124 CO -0.61 0.10 0.00 -0.89 0.00 0.00 0.00 179.25 177.84 1bsh n ILE 125 N -3.23 0.36 1.01 0.00 2.08 0.15 -2.14 119.36 117.58 1bsh n ILE 125 Ca -0.00 0.09 0.13 0.00 0.56 0.00 0.00 62.75 63.53 1bsh n ILE 125 Cb 0.32 -0.80 0.46 0.00 -0.75 0.00 0.00 39.64 38.87 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1bsh n ALA 126 N -1.21 2.87 0.09 -1.39 0.00 -0.80 -3.48 120.51 116.59 1bsh n ALA 126 Ca 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 53.44 53.32 1bsh n ALA 126 Cb 0.12 -1.32 -0.04 0.00 0.00 0.00 0.00 19.45 18.22 1bsh n ALA 126 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1bsh h GLN 127 N 0.01 0.00 0.00 0.00 4.15 -1.63 -3.18 115.11 114.46 1bsh h GLN 127 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1bsh h GLN 127 Cb 0.50 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1bsh h GLN 127 CO 0.00 0.56 0.00 -0.11 -1.93 0.00 0.00 178.83 177.35 1bsh n LEU 128 N -3.17 0.00 -0.04 -2.39 7.94 -1.23 -2.87 117.00 115.24 1bsh n LEU 128 Ca -0.02 0.45 -0.22 0.00 -1.11 0.00 0.00 56.01 55.11 1bsh n LEU 128 Cb 0.81 -0.45 -0.13 0.00 0.53 0.00 0.00 43.42 44.18 1bsh n LEU 128 CO 0.43 -0.10 -0.71 -1.14 -1.11 0.00 0.00 177.39 174.76 1bsh n ARG 129 N -1.45 0.68 0.23 1.96 3.00 -1.20 -2.38 116.66 117.50 1bsh n ARG 129 Ca 0.07 0.38 0.10 0.00 -0.00 0.00 0.00 57.85 58.40 1bsh n ARG 129 Cb 0.25 -1.72 0.50 0.00 0.00 0.00 0.00 32.46 31.49 1bsh n ARG 129 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 1bsh h VAL 130 N -0.35 0.64 0.03 5.15 -1.51 -1.62 -2.88 116.25 115.71 1bsh h VAL 130 Ca -0.40 -1.05 -0.25 0.00 -1.23 0.00 0.00 66.70 63.78 1bsh h VAL 130 Cb 1.75 1.68 -0.03 0.00 -2.13 0.00 0.00 31.29 32.57 1bsh h VAL 130 CO -0.03 0.23 -1.36 -0.29 -1.23 0.00 0.00 177.57 174.89 1bsh h ILE 131 N 0.00 0.89 -0.23 7.19 -0.00 -1.68 -3.21 117.51 120.48 1bsh h ILE 131 Ca -0.00 -2.22 0.07 0.00 -0.00 0.00 0.00 64.86 62.71 1bsh h ILE 131 Cb 0.66 2.31 -0.01 0.00 -0.00 0.00 0.00 36.82 39.79 1bsh h ILE 131 CO 0.03 0.43 0.32 1.05 -0.00 0.00 0.00 178.15 179.98 1bsh h GLU 132 N -0.80 0.00 0.17 2.19 4.11 -1.50 -0.67 114.58 118.08 1bsh h GLU 132 Ca -0.35 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.84 1bsh h GLU 132 Cb 1.44 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.71 1bsh h GLU 132 CO -0.15 0.00 -1.08 -0.07 0.07 0.00 0.00 179.01 177.78 1bsh h LEU 133 N 0.00 0.58 -1.52 3.06 4.07 -1.63 -3.28 115.31 116.59 1bsh h LEU 133 Ca 0.11 -0.94 0.42 0.00 0.08 0.00 0.00 57.88 57.56 1bsh h LEU 133 Cb 0.74 -0.19 -0.11 0.00 1.08 0.00 0.00 40.66 42.18 1bsh h LEU 133 CO -0.00 1.52 0.90 0.71 -1.08 0.00 0.00 178.44 180.48 1bsh h THR 134 N -0.21 0.18 -0.02 0.22 1.35 -1.11 0.47 112.91 113.79 1bsh h THR 134 Ca -0.19 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1bsh h THR 134 Cb 1.82 0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1bsh h THR 134 CO 0.18 0.02 -0.01 0.11 -0.25 0.00 0.00 175.52 175.57 1bsh h LYS 135 N 0.10 0.03 -1.63 4.72 1.57 -1.61 -3.15 116.57 116.61 1bsh h LYS 135 Ca 0.79 -0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.94 1bsh h LYS 135 Cb 2.57 -0.00 -0.24 0.00 0.08 0.00 0.00 32.23 34.64 1bsh h LYS 135 CO -0.33 0.41 0.77 1.63 -0.57 0.00 0.00 179.45 181.37 1bsh n LYS 136 N -4.88 2.52 -0.10 3.15 4.76 0.15 -4.38 118.16 119.39 1bsh n LYS 136 Ca -0.08 -2.91 -0.15 0.00 -2.87 0.00 0.00 58.31 52.29 1bsh n LYS 136 Cb 0.21 -2.15 -0.14 0.00 -1.84 0.00 0.00 35.03 31.12 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bsh n ALA 137 N -0.23 1.39 1.73 7.82 0.00 -0.61 -4.99 120.51 125.63 1bsh n ALA 137 Ca 0.52 -1.09 0.14 0.00 0.00 0.00 0.00 53.44 53.01 1bsh n ALA 137 Cb 0.48 -0.25 0.82 0.00 0.00 0.00 0.00 19.45 20.50 1bsh n ALA 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38