#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 0.93 1.03 0.00 -2.45 -1.26 -5.15 119.30 112.39 1bsh s MET 2 Ca 0.00 0.67 -0.16 0.00 -1.25 0.00 0.00 55.69 54.95 1bsh s MET 2 Cb 0.00 0.44 0.04 0.00 1.25 0.00 0.00 34.83 36.57 1bsh s MET 2 CO 0.00 -0.20 0.06 0.25 1.05 0.00 0.00 175.02 176.19 1bsh n THR 3 N 1.93 0.00 -0.92 10.11 -2.24 -1.26 -4.52 114.28 117.38 1bsh n THR 3 Ca -0.16 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1bsh n THR 3 Cb 0.56 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1bsh n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bsh n TYR 4 N -3.90 0.00 -4.32 4.78 4.11 -0.76 -4.94 117.16 112.14 1bsh n TYR 4 Ca 0.03 0.00 -0.25 0.00 -0.00 0.00 0.00 57.90 57.68 1bsh n TYR 4 Cb 0.59 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.76 1bsh n TYR 4 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1bsh s HIS 5 N 1.29 1.39 -0.19 -3.48 2.46 -1.02 -2.53 115.29 113.21 1bsh s HIS 5 Ca 0.00 -0.56 -0.10 0.00 0.47 0.00 0.00 55.06 54.87 1bsh s HIS 5 Cb 0.00 -1.08 -0.05 0.00 -0.13 0.00 0.00 32.58 31.32 1bsh s HIS 5 CO 0.00 -0.34 0.14 -1.17 -2.47 0.00 0.00 174.74 170.90 1bsh s LEU 6 N 1.03 4.23 -0.41 8.88 1.98 -0.97 -0.55 118.68 132.86 1bsh s LEU 6 Ca -0.08 0.27 0.06 0.00 -2.89 0.00 0.00 54.13 51.49 1bsh s LEU 6 Cb -0.15 -2.11 0.20 0.00 0.66 0.00 0.00 46.19 44.80 1bsh s LEU 6 CO -0.01 0.20 0.42 -0.67 -1.89 0.00 0.00 176.35 174.40 1bsh n ASP 7 N 3.39 -0.14 -4.40 3.68 2.03 0.06 -2.87 116.55 118.30 1bsh n ASP 7 Ca -0.16 -2.52 -0.40 0.00 0.52 0.00 0.00 54.79 52.23 1bsh n ASP 7 Cb 0.52 -0.59 -0.11 0.00 -0.72 0.00 0.00 41.12 40.22 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 -0.48 4.64 0.46 5.18 0.11 -0.81 -2.21 120.40 127.28 1bsh s VAL 8 Ca 0.34 -0.73 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 1bsh s VAL 8 Cb 0.09 -3.53 0.01 0.00 -1.53 0.00 0.00 36.38 31.42 1bsh s VAL 8 CO -0.16 -0.16 0.12 1.33 -3.33 0.00 0.00 175.10 172.89 1bsh n VAL 9 N 5.01 0.00 -3.28 2.04 0.24 -0.77 -1.97 118.33 119.59 1bsh n VAL 9 Ca -0.12 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.15 1bsh n VAL 9 Cb 0.47 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 33.06 1bsh n VAL 9 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1bsh s SER 10 N -3.56 -1.00 0.00 -1.34 0.01 -0.82 -2.37 113.70 104.62 1bsh s SER 10 Ca 0.09 0.87 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1bsh s SER 10 Cb -0.01 1.96 0.00 0.00 0.21 0.00 0.00 66.02 68.18 1bsh s SER 10 CO 0.06 -0.26 0.00 0.00 0.41 0.00 0.00 173.24 173.45 1bsh n ALA 11 N 5.42 0.00 -3.15 1.44 0.00 -1.25 -2.03 120.51 120.94 1bsh n ALA 11 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 1bsh n ALA 11 Cb 0.50 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 1bsh n ALA 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bsh n GLU 12 N 0.00 1.49 -3.60 0.00 0.28 -1.26 -5.07 120.64 112.48 1bsh n GLU 12 Ca 0.00 -3.74 -0.15 0.00 -0.16 0.00 0.00 57.16 53.12 1bsh n GLU 12 Cb 0.00 -1.77 -0.07 0.00 1.43 0.00 0.00 31.44 31.03 1bsh n GLU 12 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1bsh s GLN 13 N -2.44 0.87 -0.39 3.44 -0.21 -0.86 -5.13 119.66 114.94 1bsh s GLN 13 Ca 0.41 0.78 -0.09 0.00 0.02 0.00 0.00 55.36 56.48 1bsh s GLN 13 Cb 0.29 0.42 0.05 0.00 1.00 0.00 0.00 33.01 34.78 1bsh s GLN 13 CO -0.09 -0.16 0.21 1.14 -2.12 0.00 0.00 175.29 174.27 1bsh s GLN 14 N -0.04 2.68 -0.09 2.91 -2.07 -1.26 -1.95 119.66 119.83 1bsh s GLN 14 Ca -0.03 -1.28 -0.01 0.00 -1.82 0.00 0.00 55.36 52.23 1bsh s GLN 14 Cb -0.04 -3.70 -0.00 0.00 -1.09 0.00 0.00 33.01 28.18 1bsh s GLN 14 CO 0.03 -0.81 0.03 0.52 -1.32 0.00 0.00 175.29 173.73 1bsh h MET 15 N 8.38 -0.02 -3.91 9.60 2.86 -1.74 -3.45 114.93 126.64 1bsh h MET 15 Ca -0.24 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.85 1bsh h MET 15 Cb 1.09 0.00 -0.39 0.00 0.06 0.00 0.00 31.60 32.36 1bsh h MET 15 CO 0.69 -0.01 -0.78 0.12 1.06 0.00 0.00 176.91 178.00 1bsh s PHE 16 N -1.59 1.57 -0.36 -0.22 5.36 -1.12 -4.99 117.98 116.64 1bsh s PHE 16 Ca -0.00 -1.17 -0.00 0.00 -0.96 0.00 0.00 56.93 54.80 1bsh s PHE 16 Cb 0.00 -1.25 0.13 0.00 -0.34 0.00 0.00 43.02 41.56 1bsh s PHE 16 CO 0.01 -0.66 0.20 -1.54 -1.46 0.00 0.00 175.22 171.77 1bsh s SER 17 N 1.67 3.29 0.00 6.13 1.04 -1.23 -1.93 113.70 122.67 1bsh s SER 17 Ca -0.02 -2.11 0.00 0.00 0.48 0.00 0.00 55.95 54.29 1bsh s SER 17 Cb -0.17 -0.57 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1bsh s SER 17 CO -0.07 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1bsh n GLY 18 N 4.17 -0.63 3.84 7.32 0.00 -1.14 -5.03 105.19 113.72 1bsh n GLY 18 Ca 0.08 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1bsh n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bsh s LEU 19 N 0.00 3.23 0.17 0.99 1.43 -1.26 -2.30 118.68 120.94 1bsh s LEU 19 Ca 0.00 1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 54.48 1bsh s LEU 19 Cb 0.00 -4.49 0.05 0.00 0.03 0.00 0.00 46.19 41.77 1bsh s LEU 19 CO 0.00 -1.18 0.54 0.54 0.23 0.00 0.00 176.35 176.48 1bsh s VAL 20 N -3.00 0.02 0.00 -1.59 0.11 -1.05 -4.46 120.40 110.43 1bsh s VAL 20 Ca 0.58 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1bsh s VAL 20 Cb -0.13 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.43 1bsh s VAL 20 CO 0.51 -0.11 0.00 1.21 -3.33 0.00 0.00 175.10 173.38 1bsh n GLU 21 N -0.34 0.88 -3.18 1.54 2.13 -0.11 -1.82 120.64 119.74 1bsh n GLU 21 Ca -0.14 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.72 1bsh n GLU 21 Cb 0.63 -0.94 -0.01 0.00 0.27 0.00 0.00 31.44 31.39 1bsh n GLU 21 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1bsh s LYS 22 N -1.89 0.55 0.11 5.31 2.20 -1.14 -4.81 119.74 120.07 1bsh s LYS 22 Ca 0.00 1.00 0.03 0.00 -0.36 0.00 0.00 55.97 56.64 1bsh s LYS 22 Cb 0.00 0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 36.84 1bsh s LYS 22 CO 0.00 -0.57 0.14 -1.50 -0.36 0.00 0.00 175.35 173.06 1bsh s ILE 23 N 2.87 4.72 0.02 5.43 2.07 -1.04 -0.38 121.20 134.88 1bsh s ILE 23 Ca 0.18 -0.81 0.03 0.00 -1.41 0.00 0.00 60.65 58.64 1bsh s ILE 23 Cb -0.15 -3.34 -0.02 0.00 0.13 0.00 0.00 42.46 39.09 1bsh s ILE 23 CO -0.20 0.03 -0.09 -1.58 -1.91 0.00 0.00 174.94 171.19 1bsh s GLN 24 N -2.72 0.60 -0.07 3.50 0.74 0.14 -1.86 119.66 119.99 1bsh s GLN 24 Ca 0.31 -0.55 0.01 0.00 0.05 0.00 0.00 55.36 55.17 1bsh s GLN 24 Cb -0.11 -0.50 0.02 0.00 1.10 0.00 0.00 33.01 33.51 1bsh s GLN 24 CO 0.24 0.12 -0.06 0.08 -0.55 0.00 0.00 175.29 175.12 1bsh s VAL 25 N -0.80 0.78 -0.42 1.34 1.01 -1.25 -1.17 120.40 119.89 1bsh s VAL 25 Ca -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1bsh s VAL 25 Cb -0.07 -0.80 0.11 0.00 0.00 0.00 0.00 36.38 35.63 1bsh s VAL 25 CO 0.00 0.30 0.19 -0.89 0.00 0.00 0.00 175.10 174.70 1bsh s THR 26 N 1.25 2.93 0.00 3.92 2.01 -0.91 -3.63 115.64 121.21 1bsh s THR 26 Ca -0.05 -2.39 0.00 0.00 0.31 0.00 0.00 61.69 59.56 1bsh s THR 26 Cb -0.14 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.33 1bsh s THR 26 CO -0.02 -0.69 0.00 0.61 -0.69 0.00 0.00 174.62 173.82 1bsh n GLY 27 N 4.19 0.11 0.00 4.40 0.00 -1.26 -2.61 105.19 110.03 1bsh n GLY 27 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bsh n GLY 27 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bsh n SER 28 N 0.00 0.00 0.00 1.61 7.64 -1.26 -4.83 113.62 116.78 1bsh n SER 28 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1bsh n SER 28 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1bsh n SER 28 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1bsh n GLU 29 N -0.90 0.00 -0.63 1.43 1.02 -1.26 -4.82 120.64 115.48 1bsh n GLU 29 Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.83 1bsh n GLU 29 Cb 0.00 -0.43 0.19 0.00 -0.02 0.00 0.00 31.44 31.18 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 1.13 -1.96 1.48 0.62 0.00 -1.26 -4.96 105.19 100.24 1bsh n GLY 30 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.25 0.35 -3.98 1.61 0.28 -1.26 -4.08 120.64 110.31 1bsh n GLU 31 Ca 0.04 -1.28 -0.31 0.00 -0.16 0.00 0.00 57.16 55.45 1bsh n GLU 31 Cb 0.56 0.33 -0.05 0.00 1.43 0.00 0.00 31.44 33.71 1bsh n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1bsh s LEU 32 N -1.01 4.08 0.00 -1.84 1.43 -1.24 -4.49 118.68 115.62 1bsh s LEU 32 Ca 0.07 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1bsh s LEU 32 Cb 0.16 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.65 1bsh s LEU 32 CO -0.05 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.31 1bsh n GLY 33 N 0.36 0.27 3.38 -3.19 0.00 -1.25 -3.80 105.19 100.96 1bsh n GLY 33 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 2.18 0.02 0.11 -0.61 -1.09 -0.77 -4.84 121.20 116.20 1bsh s ILE 34 Ca 0.00 -0.20 -0.03 0.00 -2.23 0.00 0.00 60.65 58.19 1bsh s ILE 34 Cb 0.00 -0.77 0.01 0.00 -1.58 0.00 0.00 42.46 40.12 1bsh s ILE 34 CO 0.00 -0.11 0.20 -1.22 -1.23 0.00 0.00 174.94 172.58 1bsh n TYR 35 N 1.52 -1.22 0.71 3.97 4.02 -1.26 -2.51 117.16 122.39 1bsh n TYR 35 Ca -0.19 -0.56 -0.01 0.00 -0.01 0.00 0.00 57.90 57.13 1bsh n TYR 35 Cb 0.56 0.24 0.01 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 -0.15 1.07 -0.72 -0.72 -0.04 -1.26 -3.31 135.00 129.86 1bsh n PRO 36 Ca -0.02 -0.17 -0.04 0.00 -0.04 0.00 0.00 63.50 63.24 1bsh n PRO 36 Cb 0.17 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.52 0.47 0.00 0.55 0.00 -1.26 -4.79 105.19 100.68 1bsh n GLY 37 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.22 1.61 -0.00 -1.21 -4.98 115.22 110.43 1bsh n HIS 38 Ca -0.14 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.06 1bsh n HIS 38 Cb 0.53 -0.24 -0.01 0.00 -0.12 0.00 0.00 29.99 30.15 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 -1.24 -0.57 -1.98 1.57 0.00 -1.26 -4.48 120.51 112.55 1bsh n ALA 39 Ca 0.08 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.22 1bsh n ALA 39 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 19.45 19.33 1bsh n ALA 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bsh n PRO 40 N -2.70 2.72 -3.64 0.00 -0.04 -1.26 -4.72 135.00 125.35 1bsh n PRO 40 Ca -0.01 -2.73 -0.36 0.00 -0.04 0.00 0.00 63.50 60.36 1bsh n PRO 40 Cb 0.10 -3.35 -0.06 0.00 -0.04 0.00 0.00 33.50 30.15 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 3.46 4.40 -0.07 1.53 2.01 -1.26 -4.98 118.68 123.78 1bsh s LEU 41 Ca 0.52 0.74 0.25 0.00 0.01 0.00 0.00 54.13 55.66 1bsh s LEU 41 Cb 0.10 -2.65 0.45 0.00 0.01 0.00 0.00 46.19 44.09 1bsh s LEU 41 CO 0.01 0.27 1.16 0.18 1.01 0.00 0.00 176.35 178.98 1bsh n LEU 42 N 1.40 1.16 0.00 1.79 4.32 -1.26 -2.75 117.00 121.66 1bsh n LEU 42 Ca -0.12 -2.27 0.00 0.00 -0.02 0.00 0.00 56.01 53.59 1bsh n LEU 42 Cb 0.53 0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1bsh n LEU 42 CO 0.39 0.64 0.00 1.07 -1.22 0.00 0.00 177.39 178.27 1bsh n THR 43 N 0.21 0.00 -3.65 -5.08 5.66 -1.23 -4.89 114.28 105.30 1bsh n THR 43 Ca 0.06 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.88 1bsh n THR 43 Cb 1.06 -0.65 0.01 0.00 -1.55 0.00 0.00 70.33 69.20 1bsh n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1bsh n ALA 44 N -3.00 0.70 -2.60 1.79 0.00 -1.26 -1.59 120.51 114.55 1bsh n ALA 44 Ca 0.00 -1.66 -0.28 0.00 0.00 0.00 0.00 53.44 51.50 1bsh n ALA 44 Cb 0.00 0.64 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.00 0.83 0.37 0.00 1.09 -0.88 -4.63 121.20 115.97 1bsh s ILE 45 Ca 0.28 -2.00 0.08 0.00 -1.10 0.00 0.00 60.65 57.90 1bsh s ILE 45 Cb -0.02 -2.31 -0.03 0.00 -1.06 0.00 0.00 42.46 39.04 1bsh s ILE 45 CO 0.18 0.00 0.28 -0.54 -0.10 0.00 0.00 174.94 174.76 1bsh s LYS 46 N -3.77 2.55 0.27 2.79 3.01 -1.26 -4.51 119.74 118.82 1bsh s LYS 46 Ca 0.18 -1.47 -0.29 0.00 -1.01 0.00 0.00 55.97 53.38 1bsh s LYS 46 Cb 0.03 -2.34 -0.09 0.00 -1.01 0.00 0.00 37.83 34.41 1bsh s LYS 46 CO 0.11 -0.02 0.99 -1.25 0.51 0.00 0.00 175.35 175.69 1bsh s PRO 47 N -4.00 4.74 0.00 -1.68 0.04 -1.26 -4.68 135.00 128.15 1bsh s PRO 47 Ca 0.43 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.03 1bsh s PRO 47 Cb -0.03 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1bsh s PRO 47 CO 0.26 0.38 0.00 0.41 0.04 0.00 0.00 177.00 178.09 1bsh n GLY 48 N 1.25 -0.74 0.26 0.56 0.00 -1.05 -4.03 105.19 101.44 1bsh n GLY 48 Ca -0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 46.02 45.06 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 1.00 -3.65 1.61 0.00 -1.07 -2.80 117.12 112.22 1bsh n MET 49 Ca 0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 57.70 57.35 1bsh n MET 49 Cb 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 33.22 33.13 1bsh n MET 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1bsh s ILE 50 N 0.70 0.00 -0.12 3.17 1.01 0.20 -2.14 121.20 124.02 1bsh s ILE 50 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1bsh s ILE 50 Cb -0.00 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.59 1bsh s ILE 50 CO 0.03 -0.00 -0.06 -0.60 0.00 0.00 0.00 174.94 174.30 1bsh s ARG 51 N 0.25 1.36 0.38 2.79 3.52 -0.31 -1.88 118.95 125.05 1bsh s ARG 51 Ca -0.01 -0.23 0.06 0.00 -0.13 0.00 0.00 55.73 55.41 1bsh s ARG 51 Cb -0.04 -1.56 -0.07 0.00 -1.56 0.00 0.00 34.95 31.72 1bsh s ARG 51 CO 0.01 -0.30 0.03 0.42 -0.81 0.00 0.00 175.30 174.65 1bsh s ILE 52 N 1.74 1.64 -0.29 4.11 1.01 -0.55 0.28 121.20 129.15 1bsh s ILE 52 Ca 0.04 -2.00 -0.02 0.00 0.00 0.00 0.00 60.65 58.67 1bsh s ILE 52 Cb -0.13 -2.90 0.10 0.00 0.01 0.00 0.00 42.46 39.54 1bsh s ILE 52 CO -0.08 0.00 0.10 -0.69 0.00 0.00 0.00 174.94 174.27 1bsh s VAL 53 N -2.96 0.56 0.02 2.92 1.01 0.48 -1.06 120.40 121.37 1bsh s VAL 53 Ca 0.35 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1bsh s VAL 53 Cb 0.09 -1.40 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 1bsh s VAL 53 CO 0.17 -0.64 1.93 -1.59 0.00 0.00 0.00 175.10 174.96 1bsh s LYS 54 N 1.78 4.14 0.44 2.72 -2.85 -1.22 -0.94 119.74 123.81 1bsh s LYS 54 Ca 0.08 2.55 0.00 0.00 -1.00 0.00 0.00 55.97 57.60 1bsh s LYS 54 Cb -0.17 -4.14 0.00 0.00 -2.06 0.00 0.00 37.83 31.46 1bsh s LYS 54 CO -0.27 -0.95 0.00 1.04 0.10 0.00 0.00 175.35 175.27 1bsh n GLN 55 N 7.50 0.00 -2.92 1.78 6.02 -1.26 -2.10 117.38 126.41 1bsh n GLN 55 Ca 0.20 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.05 1bsh n GLN 55 Cb 0.41 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.69 1bsh n GLN 55 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1bsh n HIS 56 N 0.00 -2.04 0.00 1.08 8.25 -1.26 -4.45 115.22 116.80 1bsh n HIS 56 Ca 0.00 -2.56 0.00 0.00 -0.26 0.00 0.00 57.72 54.90 1bsh n HIS 56 Cb 0.00 0.82 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1bsh n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1bsh n GLY 57 N 1.19 4.04 0.00 -1.41 0.00 -0.89 -5.15 105.19 102.96 1bsh n GLY 57 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.91 -4.48 1.61 8.25 -1.26 -4.80 115.22 112.62 1bsh n HIS 58 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1bsh n HIS 58 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1bsh n HIS 58 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1bsh n GLU 59 N -0.88 0.62 -4.60 -0.41 4.71 -1.26 -3.40 120.64 115.42 1bsh n GLU 59 Ca 0.00 -3.26 -0.22 0.00 -0.01 0.00 0.00 57.16 53.67 1bsh n GLU 59 Cb 0.00 1.71 -0.15 0.00 -1.01 0.00 0.00 31.44 31.99 1bsh n GLU 59 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1bsh s GLU 60 N -3.48 1.24 -0.46 3.49 0.41 -0.23 -4.87 118.70 114.80 1bsh s GLU 60 Ca 0.18 -0.46 -0.04 0.00 -0.41 0.00 0.00 54.97 54.24 1bsh s GLU 60 Cb 0.01 -1.14 0.12 0.00 -1.78 0.00 0.00 34.13 31.34 1bsh s GLU 60 CO 0.13 0.22 0.27 -0.06 -0.49 0.00 0.00 175.26 175.33 1bsh s PHE 61 N -0.05 3.53 0.29 1.61 0.40 -1.26 -1.48 117.98 121.03 1bsh s PHE 61 Ca -0.00 -2.36 0.09 0.00 -0.60 0.00 0.00 56.93 54.06 1bsh s PHE 61 Cb -0.08 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 1bsh s PHE 61 CO 0.01 -0.96 0.08 0.42 0.70 0.00 0.00 175.22 175.47 1bsh s ILE 62 N 0.98 3.53 -0.16 0.64 1.01 -0.79 -2.94 121.20 123.47 1bsh s ILE 62 Ca 0.09 -1.74 -0.19 0.00 0.00 0.00 0.00 60.65 58.82 1bsh s ILE 62 Cb -0.23 -3.00 0.05 0.00 0.01 0.00 0.00 42.46 39.29 1bsh s ILE 62 CO -0.03 -0.31 0.51 -0.47 0.00 0.00 0.00 174.94 174.63 1bsh s TYR 63 N -2.32 -0.53 0.03 3.97 6.14 -1.26 0.61 117.35 123.99 1bsh s TYR 63 Ca 0.34 1.23 -0.02 0.00 0.64 0.00 0.00 57.07 59.26 1bsh s TYR 63 Cb -0.06 0.20 0.01 0.00 0.42 0.00 0.00 41.96 42.53 1bsh s TYR 63 CO 0.22 -0.31 0.11 1.47 0.64 0.00 0.00 175.55 177.67 1bsh n LEU 64 N 2.47 0.00 -3.63 6.97 -0.00 -1.12 -2.96 117.00 118.73 1bsh n LEU 64 Ca -0.15 -0.20 -0.14 0.00 -0.00 0.00 0.00 56.01 55.52 1bsh n LEU 64 Cb 0.56 0.35 -0.07 0.00 -0.00 0.00 0.00 43.42 44.26 1bsh n LEU 64 CO 0.12 -0.07 0.44 -0.55 -0.00 0.00 0.00 177.39 177.33 1bsh s SER 65 N -1.26 -0.74 0.27 1.45 0.15 -1.10 -2.52 113.70 109.95 1bsh s SER 65 Ca 0.02 1.42 0.00 0.00 0.70 0.00 0.00 55.95 58.09 1bsh s SER 65 Cb -0.00 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1bsh s SER 65 CO 0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1bsh n GLY 66 N 2.70 -5.01 0.00 9.45 0.00 -1.26 -2.86 105.19 108.21 1bsh n GLY 66 Ca -0.14 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1bsh n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bsh n GLY 67 N 0.97 2.67 3.48 -0.02 0.00 -1.26 -2.21 105.19 108.82 1bsh n GLY 67 Ca 0.00 -0.83 -0.35 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 4.25 -0.21 -0.61 1.01 -0.04 -2.06 121.20 121.54 1bsh s ILE 68 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 1bsh s ILE 68 Cb 0.00 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.47 1bsh s ILE 68 CO 0.00 0.40 0.11 -0.22 0.00 0.00 0.00 174.94 175.23 1bsh s LEU 69 N 1.14 4.00 0.04 2.97 1.98 -0.62 -2.23 118.68 125.96 1bsh s LEU 69 Ca 0.04 0.12 0.04 0.00 -2.89 0.00 0.00 54.13 51.44 1bsh s LEU 69 Cb -0.14 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.64 1bsh s LEU 69 CO 0.03 0.13 -0.13 -1.83 -1.89 0.00 0.00 176.35 172.66 1bsh s GLU 70 N 0.65 0.85 0.31 1.98 -1.05 -0.66 -3.53 118.70 117.24 1bsh s GLU 70 Ca 0.06 -0.74 0.07 0.00 -0.15 0.00 0.00 54.97 54.21 1bsh s GLU 70 Cb -0.12 -0.83 -0.02 0.00 -0.44 0.00 0.00 34.13 32.71 1bsh s GLU 70 CO 0.01 0.20 0.38 0.54 0.95 0.00 0.00 175.26 177.34 1bsh s VAL 71 N -0.89 4.14 0.24 1.83 0.11 -1.11 -1.77 120.40 122.95 1bsh s VAL 71 Ca 0.00 -1.14 -0.00 0.00 -2.93 0.00 0.00 61.98 57.91 1bsh s VAL 71 Cb -0.08 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.32 1bsh s VAL 71 CO 0.01 -0.21 0.21 -1.10 -3.33 0.00 0.00 175.10 170.68 1bsh s GLN 72 N -4.06 1.39 -1.28 1.54 -0.21 0.14 -4.85 119.66 112.32 1bsh s GLN 72 Ca 0.41 -1.70 -0.19 0.00 0.02 0.00 0.00 55.36 53.91 1bsh s GLN 72 Cb -0.08 0.31 0.05 0.00 1.00 0.00 0.00 33.01 34.28 1bsh s GLN 72 CO 0.29 -0.49 1.77 -0.35 -2.12 0.00 0.00 175.29 174.39 1bsh n PRO 73 N -0.38 2.96 0.00 2.91 -0.04 -1.26 -3.41 135.00 135.79 1bsh n PRO 73 Ca 0.03 -3.16 0.00 0.00 -0.04 0.00 0.00 63.50 60.33 1bsh n PRO 73 Cb 0.65 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 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 5.44 1.31 3.51 0.55 0.00 -1.26 -5.06 105.19 109.69 1bsh n GLY 74 Ca 0.48 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 1bsh n GLY 74 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bsh s ASN 75 N -1.88 0.21 0.01 1.61 2.20 -1.22 -2.43 114.94 113.44 1bsh s ASN 75 Ca 0.00 -1.15 -0.09 0.00 -0.94 0.00 0.00 52.86 50.69 1bsh s ASN 75 Cb 0.00 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.84 1bsh s ASN 75 CO 0.00 -1.15 0.17 0.54 -2.94 0.00 0.00 177.10 173.72 1bsh s VAL 76 N -3.75 0.09 0.28 3.54 0.11 0.28 0.26 120.40 121.21 1bsh s VAL 76 Ca 0.27 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.59 1bsh s VAL 76 Cb 0.00 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1bsh s VAL 76 CO 0.12 -0.41 0.15 0.42 -3.33 0.00 0.00 175.10 172.05 1bsh s THR 77 N -1.74 0.29 -0.30 5.04 -4.23 -0.73 -0.76 115.64 113.22 1bsh s THR 77 Ca -0.12 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.22 1bsh s THR 77 Cb -0.05 -2.54 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1bsh s THR 77 CO 0.00 0.00 1.28 0.54 -0.54 0.00 0.00 174.62 175.90 1bsh s VAL 78 N -3.74 -0.01 -0.14 2.29 0.11 -0.94 -1.66 120.40 116.32 1bsh s VAL 78 Ca 0.37 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.37 1bsh s VAL 78 Cb 0.06 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1bsh s VAL 78 CO 0.16 0.00 0.04 -0.76 -3.33 0.00 0.00 175.10 171.21 1bsh s LEU 79 N 1.30 3.75 0.00 2.54 1.02 -0.95 -1.84 118.68 124.50 1bsh s LEU 79 Ca -0.06 0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.26 1bsh s LEU 79 Cb -0.02 -1.91 -0.01 0.00 0.02 0.00 0.00 46.19 44.27 1bsh s LEU 79 CO -0.11 0.27 0.14 0.00 0.02 0.00 0.00 176.35 176.67 1bsh n ALA 80 N 2.85 0.58 -0.00 4.21 0.00 -1.00 -0.86 120.51 126.30 1bsh n ALA 80 Ca -0.18 -2.18 -0.00 0.00 0.00 0.00 0.00 53.44 51.08 1bsh n ALA 80 Cb 0.53 1.44 -0.00 0.00 0.00 0.00 0.00 19.45 21.42 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 -1.48 4.89 -4.52 0.00 -0.08 -0.94 -3.83 116.55 110.59 1bsh n ASP 81 Ca -0.08 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.83 1bsh n ASP 81 Cb 0.64 0.55 -0.12 0.00 2.34 0.00 0.00 41.12 44.54 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 -2.01 4.80 -0.31 5.18 2.01 -1.13 -4.96 115.64 119.22 1bsh s THR 82 Ca -0.00 -0.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 1bsh s THR 82 Cb 0.00 -3.27 0.10 0.00 0.01 0.00 0.00 72.50 69.35 1bsh s THR 82 CO 0.02 0.29 0.13 0.00 -0.69 0.00 0.00 174.62 174.37 1bsh s ALA 83 N 1.69 1.15 -0.08 7.40 0.00 -1.26 -2.72 121.76 127.93 1bsh s ALA 83 Ca 0.07 -1.50 0.10 0.00 0.00 0.00 0.00 51.96 50.63 1bsh s ALA 83 Cb -0.16 -1.54 -0.14 0.00 0.00 0.00 0.00 23.12 21.29 1bsh s ALA 83 CO 0.07 -1.71 0.08 -0.89 0.00 0.00 0.00 175.76 173.31 1bsh n ILE 84 N 4.88 0.56 -1.90 0.00 5.41 -1.15 -5.04 119.36 122.12 1bsh n ILE 84 Ca -0.02 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.33 1bsh n ILE 84 Cb 0.41 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 1bsh n ILE 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1bsh n ARG 85 N -2.28 -5.25 -0.48 0.38 1.74 -1.22 -2.76 116.66 106.79 1bsh n ARG 85 Ca -0.14 3.76 0.43 0.00 -0.77 0.00 0.00 57.85 61.14 1bsh n ARG 85 Cb 0.72 -4.10 0.77 0.00 -1.02 0.00 0.00 32.46 28.84 1bsh n ARG 85 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1bsh h GLY 86 N 3.45 0.00 0.26 -0.13 0.00 -1.78 -0.86 103.07 104.00 1bsh h GLY 86 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1bsh h GLY 86 CO 0.00 0.00 -0.12 1.46 0.00 0.00 0.00 176.54 177.88 1bsh h GLN 87 N 0.00 -0.33 -6.89 4.80 4.20 -1.78 -3.40 115.11 111.71 1bsh h GLN 87 Ca 0.72 0.02 -0.58 0.00 0.06 0.00 0.00 58.65 58.88 1bsh h GLN 87 Cb 2.96 0.08 -0.25 0.00 0.30 0.00 0.00 27.48 30.56 1bsh h GLN 87 CO -0.01 -0.22 -0.87 -3.47 -0.67 0.00 0.00 178.83 173.59 1bsh n ASP 88 N -3.83 -2.43 0.00 1.46 2.03 -0.33 -3.71 116.55 109.74 1bsh n ASP 88 Ca -0.04 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.17 1bsh n ASP 88 Cb 0.14 -2.36 0.00 0.00 -0.72 0.00 0.00 41.12 38.18 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 -4.30 0.00 -4.08 -2.67 4.32 -1.26 -3.97 117.00 105.04 1bsh n LEU 89 Ca 0.04 0.00 -0.34 0.00 -0.02 0.00 0.00 56.01 55.69 1bsh n LEU 89 Cb 0.50 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.17 1bsh n LEU 89 CO 0.89 0.00 -0.23 -0.62 -1.22 0.00 0.00 177.39 176.21 1bsh s ASP 90 N -4.00 5.07 0.00 -1.43 2.15 -1.25 -4.90 116.67 112.30 1bsh s ASP 90 Ca 0.00 -2.09 0.25 0.00 0.43 0.00 0.00 52.55 51.14 1bsh s ASP 90 Cb 0.00 -1.75 0.50 0.00 -0.30 0.00 0.00 42.92 41.37 1bsh s ASP 90 CO 0.00 -0.48 1.44 -0.62 -0.17 0.00 0.00 175.17 175.34 1bsh n GLU 91 N 4.45 2.09 0.11 4.34 1.02 -1.24 -4.06 120.64 127.35 1bsh n GLU 91 Ca 0.00 -1.59 0.12 0.00 -0.02 0.00 0.00 57.16 55.67 1bsh n GLU 91 Cb 0.41 -1.47 0.47 0.00 -0.02 0.00 0.00 31.44 30.83 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 0.93 1.76 1.62 0.62 0.00 -1.26 -1.93 120.51 122.24 1bsh n ALA 92 Ca 0.16 0.06 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1bsh n ALA 92 Cb 0.51 -1.39 0.74 0.00 0.00 0.00 0.00 19.45 19.31 1bsh n ALA 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1bsh n ARG 93 N -2.16 0.86 0.06 0.00 3.00 -1.26 -3.17 116.66 113.98 1bsh n ARG 93 Ca 0.03 -0.20 0.04 0.00 -0.00 0.00 0.00 57.85 57.72 1bsh n ARG 93 Cb 0.25 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.16 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 -0.90 2.16 0.13 5.13 0.00 -0.81 -3.83 120.51 122.38 1bsh n ALA 94 Ca 0.18 -0.44 0.15 0.00 0.00 0.00 0.00 53.44 53.33 1bsh n ALA 94 Cb 0.22 -1.00 0.69 0.00 0.00 0.00 0.00 19.45 19.36 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 0.68 0.00 2.86 -1.68 -2.16 114.93 114.62 1bsh h MET 95 Ca -0.11 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1bsh h MET 95 Cb 1.37 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.04 1bsh h MET 95 CO 0.03 0.00 -0.33 1.49 1.06 0.00 0.00 176.91 179.16 1bsh h GLU 96 N 0.00 -0.88 -0.83 1.72 4.81 -1.77 -2.01 114.58 115.62 1bsh h GLU 96 Ca 0.13 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.53 1bsh h GLU 96 Cb 0.54 0.20 -0.08 0.00 0.63 0.00 0.00 28.75 30.04 1bsh h GLU 96 CO -0.00 -0.55 0.46 0.00 -0.73 0.00 0.00 179.01 178.19 1bsh h ALA 97 N -0.85 1.21 -0.92 2.92 0.00 -1.64 0.04 119.26 120.02 1bsh h ALA 97 Ca -0.09 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1bsh h ALA 97 Cb 0.73 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 1bsh h ALA 97 CO 0.15 0.03 0.56 -0.22 0.00 0.00 0.00 179.25 179.78 1bsh h LYS 98 N 0.73 0.90 0.18 0.00 3.64 -1.23 0.28 116.57 121.07 1bsh h LYS 98 Ca 0.42 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1bsh h LYS 98 Cb 0.47 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1bsh h LYS 98 CO -0.29 0.59 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.31 1bsh h ARG 99 N 0.93 -0.23 0.00 1.90 2.43 -0.23 -1.33 114.38 117.84 1bsh h ARG 99 Ca 0.45 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1bsh h ARG 99 Cb 0.40 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1bsh h ARG 99 CO -0.25 -0.13 0.00 0.36 -1.51 0.00 0.00 179.97 178.45 1bsh n LYS 100 N -5.18 0.80 0.02 0.20 2.85 -0.80 -2.89 118.16 113.16 1bsh n LYS 100 Ca -0.09 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.09 1bsh n LYS 100 Cb 0.13 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.88 1bsh n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1bsh h ALA 101 N 3.63 0.56 0.00 0.58 0.00 0.70 -3.13 119.26 121.60 1bsh h ALA 101 Ca 0.00 -1.22 -0.13 0.00 0.00 0.00 0.00 54.91 53.57 1bsh h ALA 101 Cb 0.01 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1bsh h ALA 101 CO 0.00 1.41 -0.65 1.49 0.00 0.00 0.00 179.25 181.50 1bsh h GLU 102 N 0.01 0.00 0.00 0.00 4.57 -1.36 -3.13 114.58 114.66 1bsh h GLU 102 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1bsh h GLU 102 Cb 1.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 1bsh h GLU 102 CO 0.11 0.59 -0.15 0.39 -1.18 0.00 0.00 179.01 178.77 1bsh n GLU 103 N -3.23 0.20 0.01 1.92 -0.58 -1.23 -3.49 120.64 114.25 1bsh n GLU 103 Ca 0.01 0.14 -0.10 0.00 -0.42 0.00 0.00 57.16 56.78 1bsh n GLU 103 Cb 0.78 -1.71 -0.14 0.00 -0.57 0.00 0.00 31.44 29.81 1bsh n GLU 103 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1bsh h HIS 104 N 0.00 0.10 0.00 -0.32 2.76 -1.49 -3.27 115.15 112.93 1bsh h HIS 104 Ca 0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 1bsh h HIS 104 Cb 0.68 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.64 1bsh h HIS 104 CO 0.00 1.11 0.00 -0.89 -1.30 0.00 0.00 177.93 176.85 1bsh n ILE 105 N -3.20 0.03 -3.46 6.26 5.41 -1.20 -4.24 119.36 118.95 1bsh n ILE 105 Ca -0.14 0.01 -0.40 0.00 1.00 0.00 0.00 62.75 63.22 1bsh n ILE 105 Cb 1.02 -0.56 -0.03 0.00 -0.71 0.00 0.00 39.64 39.36 1bsh n ILE 105 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1bsh n SER 106 N -1.06 4.90 -3.61 4.38 7.64 -1.23 -4.92 113.62 119.72 1bsh n SER 106 Ca 0.20 -3.13 0.01 0.00 1.01 0.00 0.00 58.87 56.95 1bsh n SER 106 Cb 0.12 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.13 1bsh n SER 106 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1bsh s SER 107 N 0.21 -0.06 0.76 6.43 0.01 -1.26 -5.02 113.70 114.76 1bsh s SER 107 Ca 0.30 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1bsh s SER 107 Cb -0.06 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1bsh s SER 107 CO -0.09 -0.24 0.00 -1.20 0.41 0.00 0.00 173.24 172.13 1bsh n SER 108 N -0.40 -0.51 0.00 2.44 7.64 -1.26 -4.76 113.62 116.77 1bsh n SER 108 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1bsh n SER 108 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1bsh n SER 108 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1bsh n HIS 109 N 0.00 0.00 -3.74 1.43 -0.00 -1.26 -5.05 115.22 106.60 1bsh n HIS 109 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 1bsh n HIS 109 Cb 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 29.86 1bsh n HIS 109 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1bsh s GLY 110 N 0.00 -0.24 -0.02 1.57 0.00 -1.26 -4.97 107.32 102.39 1bsh s GLY 110 Ca 0.00 0.17 -0.20 0.00 0.00 0.00 0.00 44.72 44.69 1bsh s GLY 110 CO 0.00 0.02 0.82 -0.55 0.00 0.00 0.00 173.10 173.39 1bsh h ASP 111 N 2.00 -0.55 -0.25 1.64 3.32 -2.02 -3.35 116.42 117.20 1bsh h ASP 111 Ca -0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1bsh h ASP 111 Cb 1.23 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1bsh h ASP 111 CO 0.26 -0.14 0.00 1.33 -1.72 0.00 0.00 179.24 178.97 1bsh n VAL 112 N -5.21 1.79 0.00 -1.35 0.24 -1.26 -4.43 118.33 108.10 1bsh n VAL 112 Ca -0.09 -1.59 0.00 0.00 -2.04 0.00 0.00 64.34 60.62 1bsh n VAL 112 Cb 0.27 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 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 -0.27 0.00 0.15 -1.34 2.03 -1.26 -3.34 116.55 112.52 1bsh n ASP 113 Ca 0.17 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.61 1bsh n ASP 113 Cb 0.69 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.56 1bsh n ASP 113 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 1bsh h TYR 114 N 0.00 0.00 0.00 -0.67 -0.00 -1.86 -2.69 116.97 111.75 1bsh h TYR 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1bsh h TYR 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 1bsh h TYR 114 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1bsh h ALA 115 N 2.30 1.00 0.00 0.10 0.00 -1.77 -1.70 119.26 119.19 1bsh h ALA 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bsh h ALA 115 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1bsh h ALA 115 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1bsh n GLN 116 N -3.06 0.20 0.00 0.00 6.02 -1.02 -1.83 117.38 117.69 1bsh n GLN 116 Ca -0.00 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1bsh n GLN 116 Cb 0.23 -1.87 0.38 0.00 1.02 0.00 0.00 30.24 30.00 1bsh n GLN 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bsh n ALA 117 N -1.78 3.15 0.45 -1.58 0.00 -0.64 -3.62 120.51 116.50 1bsh n ALA 117 Ca 0.02 -0.36 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1bsh n ALA 117 Cb 0.24 -1.17 0.22 0.00 0.00 0.00 0.00 19.45 18.74 1bsh n ALA 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1bsh h SER 118 N 0.71 0.00 0.10 0.00 0.87 -1.49 -3.05 113.55 110.68 1bsh h SER 118 Ca 0.00 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.33 1bsh h SER 118 Cb 0.48 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1bsh h SER 118 CO 0.00 0.04 -0.70 0.00 -0.53 0.00 0.00 176.83 175.64 1bsh h ALA 119 N 2.34 -0.05 -0.00 6.23 0.00 -1.69 -3.08 119.26 123.02 1bsh h ALA 119 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1bsh h ALA 119 Cb 0.83 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1bsh h ALA 119 CO 0.00 0.34 -0.00 -0.85 0.00 0.00 0.00 179.25 178.73 1bsh n GLU 120 N -4.19 0.50 -0.09 0.00 -0.00 -1.25 -3.13 120.64 112.49 1bsh n GLU 120 Ca -0.13 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 56.88 1bsh n GLU 120 Cb 0.76 -1.50 -0.10 0.00 -0.00 0.00 0.00 31.44 30.60 1bsh n GLU 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1bsh h LEU 121 N 0.01 0.00 -0.84 -1.84 7.12 -1.55 -3.21 115.31 115.00 1bsh h LEU 121 Ca 0.00 -0.53 -0.05 0.00 0.13 0.00 0.00 57.88 57.43 1bsh h LEU 121 Cb 0.25 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.35 1bsh h LEU 121 CO 0.00 1.16 0.26 0.00 -0.13 0.00 0.00 178.44 179.73 1bsh h ALA 122 N -0.47 1.07 -0.23 1.25 0.00 -1.62 -0.58 119.26 118.68 1bsh h ALA 122 Ca -0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1bsh h ALA 122 Cb 0.99 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1bsh h ALA 122 CO -0.10 0.64 0.10 0.87 0.00 0.00 0.00 179.25 180.76 1bsh h LYS 123 N 1.08 0.32 -0.00 0.00 1.57 -1.71 -0.79 116.57 117.04 1bsh h LYS 123 Ca 0.24 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1bsh h LYS 123 Cb 0.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bsh h LYS 123 CO -0.01 0.26 -0.44 0.00 -0.57 0.00 0.00 179.45 178.69 1bsh n ALA 124 N -2.50 3.44 1.21 3.86 0.00 -0.81 -3.66 120.51 122.05 1bsh n ALA 124 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.17 1bsh n ALA 124 Cb 0.12 -1.12 0.33 0.00 0.00 0.00 0.00 19.45 18.79 1bsh n ALA 124 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bsh n ILE 125 N -1.26 0.25 0.73 0.00 0.13 -0.29 -3.68 119.36 115.24 1bsh n ILE 125 Ca 0.07 -0.35 0.13 0.00 -1.10 0.00 0.00 62.75 61.51 1bsh n ILE 125 Cb 0.34 0.30 0.37 0.00 -0.84 0.00 0.00 39.64 39.80 1bsh n ILE 125 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1bsh n ALA 126 N 0.28 2.60 0.70 1.51 0.00 -1.19 -3.27 120.51 121.15 1bsh n ALA 126 Ca 0.15 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1bsh n ALA 126 Cb 0.30 -1.35 0.17 0.00 0.00 0.00 0.00 19.45 18.57 1bsh n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bsh n GLN 127 N -1.98 0.20 -0.01 0.00 10.64 -1.24 -3.86 117.38 121.14 1bsh n GLN 127 Ca 0.05 0.05 -0.07 0.00 -1.83 0.00 0.00 57.00 55.19 1bsh n GLN 127 Cb 0.40 -1.62 -0.13 0.00 -0.86 0.00 0.00 30.24 28.04 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 0.00 0.00 -1.00 2.61 6.46 -1.78 -3.19 115.31 118.41 1bsh h LEU 128 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1bsh h LEU 128 Cb 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1bsh h LEU 128 CO 0.00 0.95 0.00 0.08 -0.62 0.00 0.00 178.44 178.85 1bsh h ARG 129 N 0.00 0.00 0.00 1.25 0.11 -1.67 -2.98 114.38 111.09 1bsh h ARG 129 Ca -0.26 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.60 1bsh h ARG 129 Cb 1.95 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.99 1bsh h ARG 129 CO 0.08 0.00 -1.53 1.33 0.10 0.00 0.00 179.97 179.95 1bsh n VAL 130 N -3.05 1.37 0.44 0.08 0.24 -1.25 -3.59 118.33 112.57 1bsh n VAL 130 Ca 0.02 -0.73 0.13 0.00 -2.04 0.00 0.00 64.34 61.71 1bsh n VAL 130 Cb 0.37 -0.87 0.43 0.00 -1.47 0.00 0.00 33.84 32.30 1bsh n VAL 130 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 1bsh h ILE 131 N 0.00 0.00 0.04 1.34 3.07 -1.51 -2.80 117.51 117.66 1bsh h ILE 131 Ca -0.21 -0.49 -0.20 0.00 1.55 0.00 0.00 64.86 65.51 1bsh h ILE 131 Cb 1.76 1.41 -0.02 0.00 -0.27 0.00 0.00 36.82 39.71 1bsh h ILE 131 CO 0.06 0.00 -1.04 -0.33 -1.05 0.00 0.00 178.15 175.79 1bsh h GLU 132 N 0.00 0.08 -0.44 0.16 4.39 -1.64 -3.35 114.58 113.79 1bsh h GLU 132 Ca 0.00 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 1bsh h GLU 132 Cb 0.63 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 1bsh h GLU 132 CO 0.00 1.07 0.24 -0.07 -1.16 0.00 0.00 179.01 179.09 1bsh h LEU 133 N -0.75 0.55 -1.78 1.33 4.07 -1.61 -1.48 115.31 115.63 1bsh h LEU 133 Ca -0.26 -0.09 0.21 0.00 0.08 0.00 0.00 57.88 57.82 1bsh h LEU 133 Cb 1.40 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.97 1bsh h LEU 133 CO -0.07 0.48 0.70 0.71 -1.08 0.00 0.00 178.44 179.18 1bsh h THR 134 N 0.57 0.30 0.53 0.22 1.35 -1.66 0.69 112.91 114.91 1bsh h THR 134 Ca 0.15 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.99 1bsh h THR 134 Cb 0.05 0.46 0.01 0.00 -1.73 0.00 0.00 68.15 66.94 1bsh h THR 134 CO -0.02 0.00 -0.25 0.11 -0.25 0.00 0.00 175.52 175.10 1bsh h LYS 135 N 0.00 -0.68 -1.78 4.72 1.57 -1.39 -3.32 116.57 115.69 1bsh h LYS 135 Ca 0.34 0.05 -0.68 0.00 -1.87 0.00 0.00 60.65 58.48 1bsh h LYS 135 Cb 1.73 0.15 -0.35 0.00 0.08 0.00 0.00 32.23 33.85 1bsh h LYS 135 CO -0.00 -0.38 0.16 1.63 -0.57 0.00 0.00 179.45 180.29 1bsh n LYS 136 N -5.28 3.14 0.00 3.15 5.02 -0.34 -4.61 118.16 119.25 1bsh n LYS 136 Ca -0.11 -4.05 0.00 0.00 -2.02 0.00 0.00 58.31 52.13 1bsh n LYS 136 Cb 0.32 -2.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.06 1bsh n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bsh n ALA 137 N -0.50 2.87 -0.47 7.82 0.00 0.09 -4.99 120.51 125.33 1bsh n ALA 137 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1bsh n ALA 137 Cb 0.44 0.42 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1bsh n ALA 137 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17