#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfx n LYS 2 N 0.00 0.00 -4.24 -1.24 5.02 -1.26 -5.18 118.16 111.26 1bfx n LYS 2 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1bfx n LYS 2 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1bfx n LYS 2 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1bfx s ASP 3 N 0.00 0.71 0.00 4.39 1.01 -1.26 -5.17 116.67 116.35 1bfx s ASP 3 Ca 0.00 -1.51 0.00 0.00 0.71 0.00 0.00 52.55 51.75 1bfx s ASP 3 Cb 0.00 0.42 0.00 0.00 1.01 0.00 0.00 42.92 44.35 1bfx s ASP 3 CO 0.00 -0.90 0.00 1.33 0.21 0.00 0.00 175.17 175.81 1bfx n VAL 4 N -0.40 0.00 0.00 -1.27 0.24 -1.26 -4.83 118.33 110.82 1bfx n VAL 4 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1bfx n VAL 4 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1bfx n VAL 4 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1bfx n LYS 5 N 0.00 0.00 -1.56 7.34 5.02 -1.26 -4.54 118.16 123.16 1bfx n LYS 5 Ca 0.00 0.00 -0.51 0.00 -2.02 0.00 0.00 58.31 55.78 1bfx n LYS 5 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1bfx n LYS 5 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1bfx n TYR 6 N 0.00 1.89 -4.75 2.13 4.01 -1.26 -3.23 117.16 115.95 1bfx n TYR 6 Ca 0.00 0.25 -0.30 0.00 -0.16 0.00 0.00 57.90 57.69 1bfx n TYR 6 Cb 0.00 -2.56 -0.14 0.00 -0.31 0.00 0.00 39.34 36.34 1bfx n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1bfx s TYR 7 N 5.78 2.38 0.54 -0.72 2.02 -0.05 -4.79 117.35 122.53 1bfx s TYR 7 Ca 1.03 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 57.29 1bfx s TYR 7 Cb -0.85 -1.39 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 1bfx s TYR 7 CO 0.53 0.20 0.89 0.95 -1.57 0.00 0.00 175.55 176.55 1bfx s THR 8 N -0.88 4.76 0.15 -0.71 -4.23 -1.26 -0.94 115.64 112.52 1bfx s THR 8 Ca 0.13 0.46 -0.26 0.00 -1.18 0.00 0.00 61.69 60.84 1bfx s THR 8 Cb -0.10 -3.84 -0.00 0.00 1.34 0.00 0.00 72.50 69.89 1bfx s THR 8 CO 0.04 -0.95 1.60 -0.07 -0.54 0.00 0.00 174.62 174.70 1bfx h LEU 9 N -0.02 -1.11 -0.34 4.79 3.38 -1.98 -0.91 115.31 119.12 1bfx h LEU 9 Ca -0.46 0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.76 1bfx h LEU 9 Cb 1.20 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 42.36 1bfx h LEU 9 CO 0.62 -0.36 -0.17 -0.33 0.09 0.00 0.00 178.44 178.29 1bfx h GLU 10 N -0.37 -0.11 0.20 1.13 5.08 -1.98 0.24 114.58 118.77 1bfx h GLU 10 Ca 0.12 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1bfx h GLU 10 Cb 0.56 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1bfx h GLU 10 CO -0.43 -0.07 -0.29 1.49 -1.00 0.00 0.00 179.01 178.71 1bfx h GLU 11 N -0.11 -0.53 -0.57 2.33 4.57 -1.80 -0.45 114.58 118.01 1bfx h GLU 11 Ca 0.17 0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1bfx h GLU 11 Cb 0.37 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 1bfx h GLU 11 CO -0.41 -0.36 0.31 0.82 -1.18 0.00 0.00 179.01 178.20 1bfx h ILE 12 N -0.55 0.98 -0.97 2.32 2.04 -0.77 -2.19 117.51 118.37 1bfx h ILE 12 Ca 0.01 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1bfx h ILE 12 Cb 0.55 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1bfx h ILE 12 CO -0.12 0.11 0.63 -0.61 0.00 0.00 0.00 178.15 178.17 1bfx h GLN 13 N 0.60 1.19 -0.45 2.37 4.15 -0.08 -0.38 115.11 122.52 1bfx h GLN 13 Ca 0.25 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.64 1bfx h GLN 13 Cb 0.12 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 27.50 1bfx h GLN 13 CO -0.15 0.79 0.20 0.87 -1.93 0.00 0.00 178.83 178.61 1bfx h LYS 14 N 1.22 0.40 -4.56 1.69 1.57 -0.48 -3.19 116.57 113.23 1bfx h LYS 14 Ca 0.39 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 58.51 1bfx h LYS 14 Cb 0.01 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.24 1bfx h LYS 14 CO -0.12 0.26 2.36 0.72 -0.57 0.00 0.00 179.45 182.10 1bfx n HIS 15 N -4.94 2.55 0.00 -1.35 8.25 -0.15 -3.94 115.22 115.65 1bfx n HIS 15 Ca 0.03 -2.12 0.00 0.00 -0.26 0.00 0.00 57.72 55.37 1bfx n HIS 15 Cb 0.13 -2.08 0.00 0.00 1.12 0.00 0.00 29.99 29.16 1bfx n HIS 15 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1bfx n LYS 16 N 7.01 0.04 -2.03 -0.41 2.85 -0.97 -1.51 118.16 123.14 1bfx n LYS 16 Ca 0.50 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 57.47 1bfx n LYS 16 Cb 0.41 -0.83 0.05 0.00 -0.65 0.00 0.00 35.03 34.01 1bfx n LYS 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1bfx s ASP 17 N -3.63 5.40 0.00 -5.58 2.15 -1.25 -4.23 116.67 109.52 1bfx s ASP 17 Ca 0.00 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.96 1bfx s ASP 17 Cb 0.00 -1.80 0.00 0.00 -0.30 0.00 0.00 42.92 40.82 1bfx s ASP 17 CO 0.00 -1.32 0.00 -1.20 -0.17 0.00 0.00 175.17 172.48 1bfx n SER 18 N -2.92 0.00 0.00 -0.34 7.64 -1.26 -2.57 113.62 114.17 1bfx n SER 18 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 1bfx n SER 18 Cb 0.58 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.78 1bfx n SER 18 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1bfx n LYS 19 N 0.00 0.00 -3.14 1.43 4.81 -1.26 -4.93 118.16 115.07 1bfx n LYS 19 Ca 0.00 -0.16 -0.19 0.00 -0.87 0.00 0.00 58.31 57.09 1bfx n LYS 19 Cb 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 35.03 34.68 1bfx n LYS 19 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1bfx n SER 20 N 0.00 -1.37 -4.57 3.14 7.64 -1.06 -4.97 113.62 112.43 1bfx n SER 20 Ca 0.00 -2.64 -0.43 0.00 1.01 0.00 0.00 58.87 56.81 1bfx n SER 20 Cb 0.38 0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1bfx n SER 20 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1bfx s THR 21 N 0.13 4.20 0.62 0.44 2.01 -1.26 -2.29 115.64 119.48 1bfx s THR 21 Ca 0.32 -1.94 -0.03 0.00 0.31 0.00 0.00 61.69 60.36 1bfx s THR 21 Cb 0.07 -5.17 0.04 0.00 0.01 0.00 0.00 72.50 67.45 1bfx s THR 21 CO -0.15 -1.99 0.89 0.26 -0.69 0.00 0.00 174.62 172.94 1bfx s TRP 22 N 4.01 2.90 0.12 4.92 0.51 -0.57 -0.48 118.94 130.35 1bfx s TRP 22 Ca 0.53 0.22 -0.21 0.00 -2.12 0.00 0.00 56.10 54.51 1bfx s TRP 22 Cb 0.03 -2.95 0.06 0.00 -0.81 0.00 0.00 33.47 29.80 1bfx s TRP 22 CO 0.06 -1.11 0.53 0.14 -0.51 0.00 0.00 176.95 176.06 1bfx s VAL 23 N -2.99 0.03 -0.20 4.03 -7.23 -0.04 -0.29 120.40 113.70 1bfx s VAL 23 Ca 0.58 -0.22 -0.13 0.00 -1.81 0.00 0.00 61.98 60.41 1bfx s VAL 23 Cb -0.11 -1.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.74 1bfx s VAL 23 CO 0.41 -0.12 0.26 0.27 -0.31 0.00 0.00 175.10 175.61 1bfx s ILE 24 N -3.46 5.31 -0.05 -0.62 -4.36 -1.19 -0.81 121.20 116.01 1bfx s ILE 24 Ca 0.00 0.43 0.03 0.00 -0.26 0.00 0.00 60.65 60.85 1bfx s ILE 24 Cb -0.00 -3.60 0.00 0.00 1.25 0.00 0.00 42.46 40.12 1bfx s ILE 24 CO -0.10 0.34 -0.14 -0.76 0.24 0.00 0.00 174.94 174.52 1bfx s LEU 25 N 0.88 1.82 0.00 0.37 1.43 0.24 -3.05 118.68 120.37 1bfx s LEU 25 Ca 0.13 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1bfx s LEU 25 Cb -0.13 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.22 1bfx s LEU 25 CO 0.04 0.10 0.00 1.41 0.23 0.00 0.00 176.35 178.14 1bfx n HIS 26 N 3.38 0.00 -1.82 0.29 8.25 -1.26 -0.60 115.22 123.46 1bfx n HIS 26 Ca -0.20 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.25 1bfx n HIS 26 Cb 0.53 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 1bfx n HIS 26 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1bfx n HIS 27 N 0.00 -0.10 -3.92 4.41 8.25 -1.26 -5.12 115.22 117.48 1bfx n HIS 27 Ca 0.00 -0.16 -0.09 0.00 -0.26 0.00 0.00 57.72 57.21 1bfx n HIS 27 Cb 0.00 0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1bfx n HIS 27 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bfx s LYS 28 N 0.01 1.35 -0.12 -0.41 0.00 0.23 -3.08 119.74 117.72 1bfx s LYS 28 Ca 0.00 -1.13 -0.05 0.00 0.00 0.00 0.00 55.97 54.80 1bfx s LYS 28 Cb 0.02 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.26 1bfx s LYS 28 CO -0.01 -0.54 0.06 0.08 0.00 0.00 0.00 175.35 174.94 1bfx s VAL 29 N -3.96 4.78 0.05 1.79 1.01 0.40 -0.59 120.40 123.88 1bfx s VAL 29 Ca 0.17 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.18 1bfx s VAL 29 Cb 0.01 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1bfx s VAL 29 CO 0.03 0.58 -0.25 -0.31 0.00 0.00 0.00 175.10 175.15 1bfx s TYR 30 N -0.64 2.17 -0.11 5.22 1.51 0.01 -0.55 117.35 124.96 1bfx s TYR 30 Ca 0.11 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 55.62 1bfx s TYR 30 Cb -0.12 -1.29 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 1bfx s TYR 30 CO 0.02 0.13 0.39 0.34 -1.11 0.00 0.00 175.55 175.32 1bfx s ASP 31 N -1.27 6.61 -0.11 2.29 2.15 -0.13 -0.86 116.67 125.36 1bfx s ASP 31 Ca 0.11 0.73 0.14 0.00 0.43 0.00 0.00 52.55 53.96 1bfx s ASP 31 Cb -0.10 -2.23 0.32 0.00 -0.30 0.00 0.00 42.92 40.60 1bfx s ASP 31 CO 0.02 0.12 1.15 0.18 -0.17 0.00 0.00 175.17 176.47 1bfx n LEU 32 N 3.18 1.82 0.02 -1.34 4.77 0.36 -4.70 117.00 121.11 1bfx n LEU 32 Ca -0.11 -2.81 -0.01 0.00 -0.03 0.00 0.00 56.01 53.05 1bfx n LEU 32 Cb 0.52 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1bfx n LEU 32 CO 0.40 0.84 0.50 0.74 -1.33 0.00 0.00 177.39 178.54 1bfx h THR 33 N 2.89 0.00 0.00 -5.08 2.02 -1.93 0.23 112.91 111.03 1bfx h THR 33 Ca -0.05 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 1bfx h THR 33 Cb 1.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1bfx h THR 33 CO 0.02 0.00 -0.34 0.11 0.37 0.00 0.00 175.52 175.68 1bfx h LYS 34 N -0.06 0.00 0.00 6.66 1.57 -1.95 -2.80 116.57 119.99 1bfx h LYS 34 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1bfx h LYS 34 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1bfx h LYS 34 CO 0.00 0.34 -0.06 0.35 -0.57 0.00 0.00 179.45 179.51 1bfx h PHE 35 N 0.00 0.00 -0.30 -1.35 3.57 -1.86 -3.32 116.94 113.68 1bfx h PHE 35 Ca -0.00 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.52 1bfx h PHE 35 Cb 0.64 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.35 1bfx h PHE 35 CO 0.00 0.06 -0.18 1.28 -2.23 0.00 0.00 178.31 177.25 1bfx n LEU 36 N -3.88 -0.32 0.12 0.59 4.77 0.05 -0.39 117.00 117.95 1bfx n LEU 36 Ca -0.03 0.69 -0.24 0.00 -0.03 0.00 0.00 56.01 56.40 1bfx n LEU 36 Cb 0.16 -0.15 -0.16 0.00 -2.33 0.00 0.00 43.42 40.94 1bfx n LEU 36 CO 0.30 -0.51 -0.29 -0.08 -1.33 0.00 0.00 177.39 175.48 1bfx h GLU 37 N 0.00 0.49 -0.86 3.23 4.81 -1.84 -3.27 114.58 117.15 1bfx h GLU 37 Ca 0.05 -0.84 0.16 0.00 -0.13 0.00 0.00 59.36 58.61 1bfx h GLU 37 Cb 0.12 0.31 -0.10 0.00 0.63 0.00 0.00 28.75 29.71 1bfx h GLU 37 CO -0.28 1.40 0.43 0.93 -0.73 0.00 0.00 179.01 180.76 1bfx h GLU 38 N 0.09 0.55 -5.70 1.92 4.39 -1.50 -3.43 114.58 110.90 1bfx h GLU 38 Ca -0.27 -0.03 -0.63 0.00 0.34 0.00 0.00 59.36 58.77 1bfx h GLU 38 Cb 2.11 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 30.60 1bfx h GLU 38 CO 0.24 0.36 1.50 1.58 -1.16 0.00 0.00 179.01 181.54 1bfx n HIS 39 N -4.91 1.21 -1.82 4.33 -0.00 0.48 -4.81 115.22 109.69 1bfx n HIS 39 Ca 0.18 0.41 -0.40 0.00 0.46 0.00 0.00 57.72 58.37 1bfx n HIS 39 Cb 0.49 -2.44 -0.03 0.00 -0.12 0.00 0.00 29.99 27.89 1bfx n HIS 39 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1bfx n PRO 40 N 8.19 2.30 0.00 1.57 -0.04 -1.26 -2.18 135.00 143.57 1bfx n PRO 40 Ca 0.51 -2.51 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1bfx n PRO 40 Cb 0.15 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 1bfx n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bfx n GLY 41 N 4.84 0.01 0.00 0.55 0.00 -1.26 -5.16 105.19 104.17 1bfx n GLY 41 Ca 0.49 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1bfx n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bfx n GLY 42 N -0.78 4.36 0.06 -0.02 0.00 -0.93 -4.98 105.19 102.91 1bfx n GLY 42 Ca 0.00 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 1bfx n GLY 42 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1bfx h GLU 43 N 0.00 -0.02 -0.19 1.61 4.81 -1.82 -3.38 114.58 115.60 1bfx h GLU 43 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1bfx h GLU 43 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1bfx h GLU 43 CO 0.00 0.47 0.08 1.49 -0.73 0.00 0.00 179.01 180.32 1bfx h GLU 44 N -0.51 0.27 -0.73 1.92 4.81 -1.93 0.30 114.58 118.72 1bfx h GLU 44 Ca -0.00 -0.05 0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1bfx h GLU 44 Cb 0.49 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.70 1bfx h GLU 44 CO 0.00 0.33 0.04 -0.24 -0.73 0.00 0.00 179.01 178.42 1bfx h VAL 45 N 0.15 0.40 0.21 0.32 3.04 -1.95 0.19 116.25 118.61 1bfx h VAL 45 Ca 0.06 -0.05 -0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1bfx h VAL 45 Cb 0.15 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 1bfx h VAL 45 CO -0.01 0.03 -0.10 -0.07 -1.01 0.00 0.00 177.57 176.41 1bfx h LEU 46 N 0.14 -0.24 -1.36 3.16 3.38 -0.65 -2.05 115.31 117.69 1bfx h LEU 46 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1bfx h LEU 46 Cb 0.70 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1bfx h LEU 46 CO -0.61 -0.17 0.41 -0.09 0.09 0.00 0.00 178.44 178.07 1bfx h ARG 47 N -0.29 0.84 -0.69 1.13 2.43 0.46 0.40 114.38 118.66 1bfx h ARG 47 Ca -0.03 -0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1bfx h ARG 47 Cb 0.22 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 1bfx h ARG 47 CO 0.05 0.56 0.38 0.93 -1.51 0.00 0.00 179.97 180.38 1bfx h GLU 48 N 0.86 0.68 0.00 0.20 5.08 -0.55 -2.80 114.58 118.05 1bfx h GLU 48 Ca 0.23 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1bfx h GLU 48 Cb -0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.01 1bfx h GLU 48 CO -0.05 0.45 -0.27 1.96 -1.00 0.00 0.00 179.01 180.10 1bfx h GLN 49 N 0.70 0.00 -6.08 2.33 1.08 -0.00 -3.47 115.11 109.67 1bfx h GLN 49 Ca 0.31 0.00 -0.76 0.00 -1.45 0.00 0.00 58.65 56.75 1bfx h GLN 49 Cb 0.21 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.69 1bfx h GLN 49 CO -0.19 0.00 0.25 0.00 -0.95 0.00 0.00 178.83 177.94 1bfx n ALA 50 N -1.83 -2.61 -1.90 3.87 0.00 0.11 -0.19 120.51 117.96 1bfx n ALA 50 Ca 0.04 0.56 -0.11 0.00 0.00 0.00 0.00 53.44 53.94 1bfx n ALA 50 Cb 0.44 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 17.99 1bfx n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bfx n GLY 51 N 2.07 0.22 3.14 0.00 0.00 0.60 -4.86 105.19 106.37 1bfx n GLY 51 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1bfx n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bfx n GLY 52 N -0.49 3.58 3.73 -0.02 0.00 0.73 -4.49 105.19 108.23 1bfx n GLY 52 Ca -0.12 -2.30 -0.41 0.00 0.00 0.00 0.00 46.02 43.19 1bfx n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bfx s ASP 53 N -3.40 7.12 0.00 1.61 -1.08 -1.26 -3.19 116.67 116.47 1bfx s ASP 53 Ca 0.04 2.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.17 1bfx s ASP 53 Cb 0.00 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1bfx s ASP 53 CO 0.03 -0.38 0.00 0.00 0.52 0.00 0.00 175.17 175.33 1bfx n ALA 54 N 3.11 1.19 -0.21 3.66 0.00 -1.17 -4.70 120.51 122.38 1bfx n ALA 54 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 1bfx n ALA 54 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.97 1bfx n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bfx h THR 55 N 0.00 1.03 -0.26 0.00 2.02 -1.91 0.35 112.91 114.15 1bfx h THR 55 Ca 0.00 -0.24 0.08 0.00 0.77 0.00 0.00 66.41 67.02 1bfx h THR 55 Cb 0.00 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 1bfx h THR 55 CO 0.00 0.13 0.36 -0.08 0.37 0.00 0.00 175.52 176.29 1bfx h GLU 56 N 0.69 0.00 0.00 6.66 4.81 -1.90 0.15 114.58 124.98 1bfx h GLU 56 Ca 0.25 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.27 1bfx h GLU 56 Cb 0.07 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1bfx h GLU 56 CO -0.13 0.00 -1.43 -1.71 -0.73 0.00 0.00 179.01 175.01 1bfx n ASN 57 N -3.53 1.89 -0.29 1.04 2.85 -0.69 -4.29 115.26 112.23 1bfx n ASN 57 Ca 0.04 0.43 -0.03 0.00 -0.11 0.00 0.00 54.58 54.91 1bfx n ASN 57 Cb 0.49 -0.87 0.02 0.00 1.24 0.00 0.00 39.78 40.66 1bfx n ASN 57 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1bfx h PHE 58 N -1.00 -1.00 -0.28 1.20 3.04 -0.49 -2.66 116.94 115.74 1bfx h PHE 58 Ca -0.33 0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.71 1bfx h PHE 58 Cb 1.18 0.55 -0.01 0.00 2.56 0.00 0.00 35.95 40.23 1bfx h PHE 58 CO -0.10 -0.39 0.16 0.93 -2.02 0.00 0.00 178.31 176.88 1bfx h GLU 59 N -0.08 0.40 -0.71 1.11 4.39 -0.95 0.38 114.58 119.11 1bfx h GLU 59 Ca 0.29 -0.05 0.12 0.00 0.34 0.00 0.00 59.36 60.07 1bfx h GLU 59 Cb 0.57 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 29.06 1bfx h GLU 59 CO -0.83 0.34 0.28 0.22 -1.16 0.00 0.00 179.01 177.86 1bfx h ASP 60 N 0.34 0.27 -0.32 1.42 3.58 -1.69 -0.74 116.42 119.29 1bfx h ASP 60 Ca 0.10 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 1bfx h ASP 60 Cb 0.06 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1bfx h ASP 60 CO -0.02 0.13 -0.12 0.58 -2.88 0.00 0.00 179.24 176.93 1bfx h VAL 61 N 0.45 1.26 -4.24 2.25 2.07 -0.93 -3.48 116.25 113.62 1bfx h VAL 61 Ca 0.38 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1bfx h VAL 61 Cb 0.53 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1bfx h VAL 61 CO -0.36 0.40 -0.07 0.61 0.02 0.00 0.00 177.57 178.16 1bfx n GLY 62 N -0.45 -0.86 3.64 2.17 0.00 0.12 -4.98 105.19 104.84 1bfx n GLY 62 Ca 0.01 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.98 1bfx n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1bfx n HIS 63 N -1.13 0.76 -1.05 1.61 8.25 -1.25 -4.96 115.22 117.44 1bfx n HIS 63 Ca 0.02 0.38 -0.31 0.00 -0.26 0.00 0.00 57.72 57.55 1bfx n HIS 63 Cb 0.43 -2.05 0.12 0.00 1.12 0.00 0.00 29.99 29.62 1bfx n HIS 63 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1bfx s SER 64 N -2.09 3.79 0.00 0.41 0.01 -1.26 -4.89 113.70 109.66 1bfx s SER 64 Ca 0.70 2.06 0.13 0.00 1.31 0.00 0.00 55.95 60.15 1bfx s SER 64 Cb -0.28 -2.55 0.56 0.00 0.21 0.00 0.00 66.02 63.95 1bfx s SER 64 CO 0.54 -2.52 1.39 1.07 0.41 0.00 0.00 173.24 174.12 1bfx n THR 65 N -3.69 1.05 -0.07 1.44 5.66 -1.26 -2.83 114.28 114.58 1bfx n THR 65 Ca 0.11 0.26 -0.10 0.00 -3.05 0.00 0.00 64.05 61.27 1bfx n THR 65 Cb 0.52 -1.05 -0.07 0.00 -1.55 0.00 0.00 70.33 68.18 1bfx n THR 65 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1bfx h ASP 66 N 0.00 0.00 -1.06 1.09 1.82 -2.02 -3.33 116.42 112.93 1bfx h ASP 66 Ca 0.00 -0.50 0.30 0.00 -0.39 0.00 0.00 57.03 56.44 1bfx h ASP 66 Cb 0.20 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 40.09 1bfx h ASP 66 CO 0.00 0.89 0.65 0.00 -1.61 0.00 0.00 179.24 179.16 1bfx h ALA 67 N -0.50 2.10 -1.05 -0.78 0.00 -1.90 0.18 119.26 117.32 1bfx h ALA 67 Ca -0.05 0.12 0.28 0.00 0.00 0.00 0.00 54.91 55.26 1bfx h ALA 67 Cb 0.67 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1bfx h ALA 67 CO -0.03 -0.62 0.66 0.00 0.00 0.00 0.00 179.25 179.27 1bfx h ARG 68 N 0.38 0.40 0.06 0.00 3.08 -1.63 0.34 114.38 117.01 1bfx h ARG 68 Ca 0.68 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.53 1bfx h ARG 68 Cb 1.62 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1bfx h ARG 68 CO -0.45 0.26 -0.91 0.93 -1.07 0.00 0.00 179.97 178.73 1bfx h GLU 69 N 0.41 0.12 -0.25 0.04 5.08 -0.81 -3.36 114.58 115.81 1bfx h GLU 69 Ca 0.63 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.85 1bfx h GLU 69 Cb 1.54 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 1bfx h GLU 69 CO -0.35 1.10 0.20 1.25 -1.00 0.00 0.00 179.01 180.20 1bfx h LEU 70 N -0.67 0.00 -1.19 1.33 5.85 -0.98 0.13 115.31 119.77 1bfx h LEU 70 Ca -0.21 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.69 1bfx h LEU 70 Cb 1.43 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.37 1bfx h LEU 70 CO -0.01 0.00 0.61 0.77 -0.34 0.00 0.00 178.44 179.47 1bfx h SER 71 N 0.00 0.68 1.12 1.25 4.64 -0.49 0.50 113.55 121.25 1bfx h SER 71 Ca 0.12 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1bfx h SER 71 Cb 0.51 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1bfx h SER 71 CO -0.00 0.28 0.00 1.17 -0.87 0.00 0.00 176.83 177.41 1bfx n LYS 72 N -4.64 0.13 0.13 4.77 4.81 0.45 -0.38 118.16 123.42 1bfx n LYS 72 Ca 0.21 0.15 -0.24 0.00 -0.87 0.00 0.00 58.31 57.56 1bfx n LYS 72 Cb 0.57 -1.66 -0.16 0.00 0.02 0.00 0.00 35.03 33.80 1bfx n LYS 72 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1bfx h THR 73 N 0.00 1.21 0.00 3.15 2.02 -0.97 -3.36 112.91 114.96 1bfx h THR 73 Ca 0.00 -2.65 -0.02 0.00 0.77 0.00 0.00 66.41 64.51 1bfx h THR 73 Cb 0.56 2.99 -0.00 0.00 -1.74 0.00 0.00 68.15 69.96 1bfx h THR 73 CO 0.00 0.81 -0.10 1.88 0.37 0.00 0.00 175.52 178.49 1bfx h TYR 74 N 0.11 0.00 -2.04 3.16 0.05 -0.65 -3.46 116.97 114.13 1bfx h TYR 74 Ca -0.27 0.00 -0.64 0.00 0.05 0.00 0.00 58.73 57.87 1bfx h TYR 74 Cb 2.13 0.00 0.08 0.00 1.01 0.00 0.00 36.73 39.95 1bfx h TYR 74 CO 0.13 0.10 0.38 1.51 -1.05 0.00 0.00 178.16 179.22 1bfx n ILE 75 N -3.14 0.74 -0.05 -2.88 0.00 0.49 -0.95 119.36 113.57 1bfx n ILE 75 Ca 0.03 -0.18 -0.07 0.00 0.00 0.00 0.00 62.75 62.53 1bfx n ILE 75 Cb 0.52 -0.98 -0.05 0.00 0.00 0.00 0.00 39.64 39.14 1bfx n ILE 75 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1bfx n ILE 76 N 1.79 0.58 -3.96 9.51 2.08 0.29 -4.75 119.36 124.90 1bfx n ILE 76 Ca 0.15 -0.24 0.02 0.00 0.56 0.00 0.00 62.75 63.24 1bfx n ILE 76 Cb 0.25 -0.85 0.01 0.00 -0.75 0.00 0.00 39.64 38.30 1bfx n ILE 76 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1bfx n GLY 77 N 2.95 0.33 3.64 7.39 0.00 -1.12 -4.44 105.19 113.94 1bfx n GLY 77 Ca -0.17 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 1bfx n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfx s GLU 78 N -2.01 2.08 -0.23 1.61 2.02 -1.20 -0.45 118.70 120.52 1bfx s GLU 78 Ca 0.22 -1.78 -0.29 0.00 0.02 0.00 0.00 54.97 53.15 1bfx s GLU 78 Cb -0.01 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 1bfx s GLU 78 CO -0.00 0.11 1.28 -1.17 0.02 0.00 0.00 175.26 175.49 1bfx s LEU 79 N -3.73 4.04 0.26 1.80 1.98 -1.18 -0.87 118.68 120.99 1bfx s LEU 79 Ca 0.35 1.47 -0.30 0.00 -2.89 0.00 0.00 54.13 52.76 1bfx s LEU 79 Cb 0.01 -3.54 -0.13 0.00 0.66 0.00 0.00 46.19 43.19 1bfx s LEU 79 CO 0.19 -0.91 1.37 1.57 -1.89 0.00 0.00 176.35 176.68 1bfx n HIS 80 N 7.09 2.16 0.28 5.38 -0.00 -0.12 -4.78 115.22 125.23 1bfx n HIS 80 Ca 0.14 0.47 0.18 0.00 -0.00 0.00 0.00 57.72 58.51 1bfx n HIS 80 Cb 0.46 -2.44 0.94 0.00 -0.00 0.00 0.00 29.99 28.94 1bfx n HIS 80 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1bfx h PRO 81 N 3.78 0.00 0.00 1.57 0.13 -1.92 -2.33 132.00 133.23 1bfx h PRO 81 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1bfx h PRO 81 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1bfx h PRO 81 CO 0.72 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 175.02 1bfx n ASP 82 N -2.76 0.00 -0.03 1.44 2.03 -1.26 -2.98 116.55 112.98 1bfx n ASP 82 Ca -0.02 0.70 0.02 0.00 0.52 0.00 0.00 54.79 56.01 1bfx n ASP 82 Cb 0.08 -0.20 0.36 0.00 -0.72 0.00 0.00 41.12 40.64 1bfx n ASP 82 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1bfx h ASP 83 N 0.00 0.54 -0.97 1.67 1.82 -1.89 -2.81 116.42 114.78 1bfx h ASP 83 Ca 0.00 -0.04 0.20 0.00 -0.39 0.00 0.00 57.03 56.80 1bfx h ASP 83 Cb 0.00 -0.14 -0.18 0.00 0.68 0.00 0.00 39.33 39.69 1bfx h ASP 83 CO 0.00 0.46 -0.22 -0.09 -1.61 0.00 0.00 179.24 177.78 1bfx h ARG 84 N 0.61 0.00 0.00 0.28 2.43 -1.42 0.47 114.38 116.75 1bfx h ARG 84 Ca 0.16 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1bfx h ARG 84 Cb 0.06 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1bfx h ARG 84 CO -0.02 0.00 -0.16 1.03 -1.51 0.00 0.00 179.97 179.30 1bfx h SER 85 N 0.00 0.00 0.00 -3.80 0.87 -1.39 -3.14 113.55 106.10 1bfx h SER 85 Ca 0.48 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1bfx h SER 85 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1bfx h SER 85 CO -0.99 0.16 -0.00 0.50 -0.53 0.00 0.00 176.83 175.97 1bfx h LYS 86 N 0.00 -0.01 -5.70 2.24 3.64 -0.40 -3.48 116.57 112.86 1bfx h LYS 86 Ca -0.00 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 1bfx h LYS 86 Cb 0.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1bfx h LYS 86 CO 0.02 -0.00 -0.26 -0.89 -2.27 0.00 0.00 179.45 176.05 1bfx n ILE 87 N -2.08 -0.72 -1.52 2.00 5.41 0.91 -4.58 119.36 118.78 1bfx n ILE 87 Ca -0.00 -0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.29 1bfx n ILE 87 Cb 0.00 -0.64 -0.06 0.00 -0.71 0.00 0.00 39.64 38.24 1bfx n ILE 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bfx n ALA 88 N -1.13 1.12 -2.57 -1.39 0.00 -1.26 -4.58 120.51 110.70 1bfx n ALA 88 Ca -0.07 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.56 1bfx n ALA 88 Cb 0.16 -2.81 -0.02 0.00 0.00 0.00 0.00 19.45 16.77 1bfx n ALA 88 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1bfx s LYS 89 N 7.10 4.08 -0.02 0.00 2.36 -1.26 -4.92 119.74 127.08 1bfx s LYS 89 Ca 1.06 1.22 -0.35 0.00 -2.55 0.00 0.00 55.97 55.36 1bfx s LYS 89 Cb -0.56 -3.76 -0.13 0.00 -1.05 0.00 0.00 37.83 32.33 1bfx s LYS 89 CO 0.39 -0.89 1.75 -0.35 1.55 0.00 0.00 175.35 177.79 1bfx n PRO 90 N 6.86 2.00 -0.03 4.03 -0.04 -1.26 -4.64 135.00 141.93 1bfx n PRO 90 Ca 0.13 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1bfx n PRO 90 Cb 0.47 -2.53 0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1bfx n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1bfx n SER 91 N 5.32 1.31 0.00 3.54 7.64 -1.26 -4.37 113.62 125.80 1bfx n SER 91 Ca 0.21 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 58.06 1bfx n SER 91 Cb 0.27 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1bfx n SER 91 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1bfx n GLU 92 N 0.06 0.00 -2.67 1.43 -0.00 -1.26 -5.16 120.64 113.03 1bfx n GLU 92 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 57.13 1bfx n GLU 92 Cb 0.30 0.00 0.09 0.00 -0.00 0.00 0.00 31.44 31.84 1bfx n GLU 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1bfx n THR 93 N 0.00 0.00 0.00 3.84 -2.24 -1.26 -5.12 114.28 109.50 1bfx n THR 93 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1bfx n THR 93 Cb 0.00 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1bfx n THR 93 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39