#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bha s GLN 3 N 0.00 0.51 -0.79 0.00 0.74 -1.26 -5.10 119.66 113.77 1bha s GLN 3 Ca 0.00 0.85 -0.19 0.00 0.05 0.00 0.00 55.36 56.07 1bha s GLN 3 Cb 0.00 0.10 0.12 0.00 1.10 0.00 0.00 33.01 34.33 1bha s GLN 3 CO 0.00 -0.13 0.96 0.42 -0.55 0.00 0.00 175.29 175.99 1bha s ILE 4 N 1.12 4.77 -0.07 -2.34 -1.09 -1.26 -4.73 121.20 117.60 1bha s ILE 4 Ca -0.07 -1.30 0.11 0.00 -2.23 0.00 0.00 60.65 57.15 1bha s ILE 4 Cb -0.06 -4.66 0.17 0.00 -1.58 0.00 0.00 42.46 36.33 1bha s ILE 4 CO -0.10 -1.36 1.09 1.07 -1.23 0.00 0.00 174.94 174.40 1bha n THR 5 N 5.42 1.03 -0.09 2.92 5.66 -1.26 -4.74 114.28 123.22 1bha n THR 5 Ca 0.10 -1.28 -0.18 0.00 -3.05 0.00 0.00 64.05 59.63 1bha n THR 5 Cb 0.47 0.11 -0.11 0.00 -1.55 0.00 0.00 70.33 69.24 1bha n THR 5 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1bha h GLY 6 N 0.05 0.00 -6.02 1.09 0.00 -2.03 -3.45 103.07 92.70 1bha h GLY 6 Ca -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.73 1bha h GLY 6 CO 0.00 0.00 0.03 0.50 0.00 0.00 0.00 176.54 177.07 1bha s ARG 7 N -2.30 4.22 0.54 4.80 1.81 -1.26 -4.94 118.95 121.83 1bha s ARG 7 Ca -0.25 0.52 0.33 0.00 -1.72 0.00 0.00 55.73 54.61 1bha s ARG 7 Cb 0.03 -3.55 1.36 0.00 -0.45 0.00 0.00 34.95 32.34 1bha s ARG 7 CO 0.59 -0.16 1.99 -1.00 -0.68 0.00 0.00 175.30 176.04 1bha h PRO 8 N 7.39 0.00 -0.13 3.54 0.13 -1.97 -2.58 132.00 138.37 1bha h PRO 8 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 1bha h PRO 8 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1bha h PRO 8 CO 0.76 0.03 -0.56 1.49 -0.23 0.00 0.00 178.00 179.49 1bha h GLU 9 N 0.00 0.40 -0.16 0.86 4.81 -1.98 0.40 114.58 118.91 1bha h GLU 9 Ca -0.00 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.82 1bha h GLU 9 Cb 0.51 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1bha h GLU 9 CO 0.00 0.85 -0.55 2.35 -0.73 0.00 0.00 179.01 180.94 1bha h TRP 10 N 0.31 0.61 -0.24 0.92 7.01 -1.85 0.54 115.95 123.24 1bha h TRP 10 Ca 0.00 -0.21 -0.17 0.00 2.11 0.00 0.00 58.89 60.62 1bha h TRP 10 Cb 1.07 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 28.01 1bha h TRP 10 CO 0.03 0.92 -0.52 0.82 -2.79 0.00 0.00 178.44 176.90 1bha h ILE 11 N 0.37 1.30 -0.39 2.65 1.08 -1.35 0.66 117.51 121.84 1bha h ILE 11 Ca 0.01 -1.74 -0.12 0.00 -0.39 0.00 0.00 64.86 62.62 1bha h ILE 11 Cb 1.07 1.67 -0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1bha h ILE 11 CO 0.10 0.55 -0.25 -0.25 -0.69 0.00 0.00 178.15 177.61 1bha h TRP 12 N 0.55 0.91 -0.39 1.37 7.01 -0.71 0.75 115.95 125.44 1bha h TRP 12 Ca 0.02 -0.22 -0.07 0.00 2.11 0.00 0.00 58.89 60.73 1bha h TRP 12 Cb 1.09 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.93 1bha h TRP 12 CO 0.06 0.96 -0.05 1.25 -2.79 0.00 0.00 178.44 177.87 1bha h LEU 13 N 0.68 0.71 -0.90 0.65 6.46 -0.67 0.13 115.31 122.36 1bha h LEU 13 Ca 0.09 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1bha h LEU 13 Cb 0.78 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.49 1bha h LEU 13 CO 0.06 0.88 0.22 0.00 -0.62 0.00 0.00 178.44 178.98 1bha h ALA 14 N 0.85 1.12 -0.58 1.25 0.00 -0.62 0.53 119.26 121.81 1bha h ALA 14 Ca 0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1bha h ALA 14 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1bha h ALA 14 CO 0.03 0.61 0.08 1.25 0.00 0.00 0.00 179.25 181.22 1bha h LEU 15 N 0.99 0.93 -0.66 0.00 5.85 -0.57 0.27 115.31 122.13 1bha h LEU 15 Ca 0.22 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1bha h LEU 15 Cb 0.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1bha h LEU 15 CO -0.01 0.96 0.12 1.23 -0.34 0.00 0.00 178.44 180.40 1bha h GLY 16 N 0.86 1.17 1.51 3.75 0.00 -0.40 0.13 103.07 110.09 1bha h GLY 16 Ca 0.17 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.63 1bha h GLY 16 CO 0.01 0.71 -0.30 -0.84 0.00 0.00 0.00 176.54 176.12 1bha h THR 17 N 1.00 1.28 -0.08 4.70 2.02 -0.65 -0.49 112.91 120.69 1bha h THR 17 Ca 0.20 -1.39 -0.17 0.00 0.77 0.00 0.00 66.41 65.82 1bha h THR 17 Cb 0.42 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1bha h THR 17 CO 0.01 0.44 -0.66 0.00 0.37 0.00 0.00 175.52 175.68 1bha h ALA 18 N 1.19 0.71 0.15 6.16 0.00 -0.61 0.11 119.26 126.99 1bha h ALA 18 Ca 0.06 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1bha h ALA 18 Cb 0.77 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bha h ALA 18 CO 0.06 0.75 -0.07 1.25 0.00 0.00 0.00 179.25 181.23 1bha h LEU 19 N 0.24 -0.18 -1.16 0.00 5.85 -0.41 0.43 115.31 120.09 1bha h LEU 19 Ca -0.02 -0.27 -0.07 0.00 0.84 0.00 0.00 57.88 58.37 1bha h LEU 19 Cb 1.20 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1bha h LEU 19 CO 0.11 0.19 -0.12 0.24 -0.34 0.00 0.00 178.44 178.52 1bha h MET 20 N -0.57 0.44 -0.42 1.25 2.86 -1.10 -0.60 114.93 116.79 1bha h MET 20 Ca -0.02 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.40 1bha h MET 20 Cb 0.44 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1bha h MET 20 CO 0.03 0.56 -0.14 0.78 1.06 0.00 0.00 176.91 179.21 1bha h GLY 21 N 0.89 0.91 1.07 8.32 0.00 -0.68 -0.29 103.07 113.29 1bha h GLY 21 Ca 0.08 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.51 1bha h GLY 21 CO 0.03 0.70 -0.21 -2.00 0.00 0.00 0.00 176.54 175.07 1bha h LEU 22 N 0.66 0.95 -0.85 3.11 5.85 -0.63 -0.59 115.31 123.81 1bha h LEU 22 Ca 0.10 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1bha h LEU 22 Cb 0.68 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1bha h LEU 22 CO 0.05 1.14 0.25 1.23 -0.34 0.00 0.00 178.44 180.76 1bha h GLY 23 N 0.75 1.18 1.13 3.75 0.00 -0.99 0.42 103.07 109.31 1bha h GLY 23 Ca 0.10 -0.67 -0.16 0.00 0.00 0.00 0.00 47.33 46.60 1bha h GLY 23 CO 0.06 0.63 -0.39 -0.84 0.00 0.00 0.00 176.54 176.00 1bha h THR 24 N 1.07 1.27 -0.49 4.70 2.02 -0.88 -0.72 112.91 119.87 1bha h THR 24 Ca 0.24 -1.56 -0.04 0.00 0.77 0.00 0.00 66.41 65.81 1bha h THR 24 Cb 0.26 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1bha h THR 24 CO -0.01 0.52 0.15 0.25 0.37 0.00 0.00 175.52 176.80 1bha h LEU 25 N 0.77 0.72 -0.90 2.58 6.46 -0.79 -0.94 115.31 123.21 1bha h LEU 25 Ca 0.06 -0.21 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 1bha h LEU 25 Cb 0.99 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.71 1bha h LEU 25 CO 0.10 0.74 0.00 0.22 -0.62 0.00 0.00 178.44 178.88 1bha h TYR 26 N 0.66 0.87 -0.39 1.25 3.20 -0.83 -0.91 116.97 120.83 1bha h TYR 26 Ca 0.16 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1bha h TYR 26 Cb 0.28 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1bha h TYR 26 CO 0.02 0.80 -0.12 0.35 -1.64 0.00 0.00 178.16 177.56 1bha h PHE 27 N 0.76 0.76 -0.20 -3.82 3.57 -0.76 0.15 116.94 117.40 1bha h PHE 27 Ca 0.15 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1bha h PHE 27 Cb 0.45 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1bha h PHE 27 CO 0.02 0.78 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.54 1bha h LEU 28 N 0.63 0.59 -1.01 0.59 3.38 -0.81 0.13 115.31 118.81 1bha h LEU 28 Ca 0.11 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1bha h LEU 28 Cb 0.57 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1bha h LEU 28 CO 0.04 0.98 0.08 0.58 0.09 0.00 0.00 178.44 180.20 1bha h VAL 29 N 0.20 1.23 -0.15 1.22 2.07 -0.98 0.20 116.25 120.04 1bha h VAL 29 Ca 0.02 -0.88 -0.15 0.00 0.82 0.00 0.00 66.70 66.51 1bha h VAL 29 Cb 0.85 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 1bha h VAL 29 CO 0.06 0.32 -0.56 0.50 0.02 0.00 0.00 177.57 177.91 1bha h LYS 30 N 0.76 0.45 -0.44 1.57 3.64 -0.57 0.75 116.57 122.74 1bha h LYS 30 Ca 0.16 -0.29 -0.12 0.00 -1.27 0.00 0.00 60.65 59.13 1bha h LYS 30 Cb 0.35 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1bha h LYS 30 CO 0.01 0.89 -0.20 0.78 -2.27 0.00 0.00 179.45 178.66 1bha h GLY 31 N 1.18 0.94 1.54 5.01 0.00 -0.02 0.15 103.07 111.86 1bha h GLY 31 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 47.33 46.30 1bha h GLY 31 CO 0.10 0.72 -1.06 -0.33 0.00 0.00 0.00 176.54 175.98 1bha h MET 32 N 0.75 0.39 0.17 4.80 2.86 -0.86 -3.36 114.93 119.68 1bha h MET 32 Ca 0.11 -0.49 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 1bha h MET 32 Cb 0.73 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1bha h MET 32 CO 0.06 1.16 -0.08 0.78 1.06 0.00 0.00 176.91 179.89 1bha h GLY 33 N 1.23 -0.23 0.00 8.32 0.00 -0.75 -3.51 103.07 108.13 1bha h GLY 33 Ca -0.11 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1bha h GLY 33 CO 0.18 -0.08 0.00 1.55 0.00 0.00 0.00 176.54 178.19 1bha n VAL 34 N -3.28 0.00 0.00 4.60 3.14 0.52 -5.07 118.33 118.23 1bha n VAL 34 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1bha n VAL 34 Cb 0.09 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 1bha n VAL 34 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1bha n PRO 37 N 11.56 0.00 0.02 1.45 -0.04 -1.26 -5.12 135.00 141.61 1bha n PRO 37 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1bha n PRO 37 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1bha n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bha n ASP 38 N 1.73 -0.29 0.17 3.54 8.00 -1.26 -4.79 116.55 123.65 1bha n ASP 38 Ca 0.00 0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.43 1bha n ASP 38 Cb 0.00 0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 41.69 1bha n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bha h ALA 39 N 0.00 -0.41 0.00 2.24 0.00 -2.05 0.85 119.26 119.89 1bha h ALA 39 Ca 0.00 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1bha h ALA 39 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bha h ALA 39 CO 0.00 -0.63 -0.31 0.87 0.00 0.00 0.00 179.25 179.18 1bha h LYS 40 N -0.61 0.00 -0.03 0.00 1.57 -1.99 -1.69 116.57 113.82 1bha h LYS 40 Ca -0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1bha h LYS 40 Cb 0.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1bha h LYS 40 CO 0.07 0.31 0.01 -0.22 -0.57 0.00 0.00 179.45 179.04 1bha h LYS 41 N 0.00 0.05 -0.52 3.15 1.63 -1.79 0.73 116.57 119.82 1bha h LYS 41 Ca -0.00 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.76 1bha h LYS 41 Cb 0.61 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1bha h LYS 41 CO 0.04 0.25 0.22 0.35 -3.45 0.00 0.00 179.45 176.86 1bha h PHE 42 N -0.16 0.77 -0.81 1.91 3.57 -0.56 -1.58 116.94 120.07 1bha h PHE 42 Ca 0.01 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1bha h PHE 42 Cb 0.22 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.69 1bha h PHE 42 CO -0.00 0.62 0.47 -0.92 -2.23 0.00 0.00 178.31 176.25 1bha h TYR 43 N 0.69 1.08 -0.51 0.41 3.20 -1.20 0.12 116.97 120.76 1bha h TYR 43 Ca 0.17 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1bha h TYR 43 Cb 0.16 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1bha h TYR 43 CO 0.00 0.73 0.28 0.00 -1.64 0.00 0.00 178.16 177.53 1bha h ALA 44 N 1.25 0.65 -0.70 1.82 0.00 -0.53 0.13 119.26 121.88 1bha h ALA 44 Ca 0.29 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1bha h ALA 44 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1bha h ALA 44 CO -0.05 0.18 0.21 0.82 0.00 0.00 0.00 179.25 180.41 1bha h ILE 45 N 0.68 1.25 0.00 0.00 2.04 -0.78 0.13 117.51 120.83 1bha h ILE 45 Ca 0.18 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1bha h ILE 45 Cb 0.06 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1bha h ILE 45 CO -0.03 0.35 0.00 0.74 0.00 0.00 0.00 178.15 179.21 1bha h THR 46 N 1.04 0.00 0.00 -0.27 2.02 -0.12 0.14 112.91 115.73 1bha h THR 46 Ca 0.23 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1bha h THR 46 Cb 0.30 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1bha h THR 46 CO -0.01 0.00 -1.18 0.41 0.37 0.00 0.00 175.52 175.11 1bha n THR 47 N -2.90 0.29 0.91 3.16 -1.04 0.39 -3.86 114.28 111.22 1bha n THR 47 Ca 0.01 -0.39 0.10 0.00 -2.04 0.00 0.00 64.05 61.73 1bha n THR 47 Cb 0.29 -0.02 -0.05 0.00 -1.82 0.00 0.00 70.33 68.74 1bha n THR 47 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1bha n LEU 48 N -2.25 1.49 0.01 -4.42 7.99 0.31 -4.13 117.00 116.00 1bha n LEU 48 Ca 0.00 -0.65 -0.12 0.00 -0.01 0.00 0.00 56.01 55.23 1bha n LEU 48 Cb 0.50 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.73 1bha n LEU 48 CO 0.41 0.30 0.80 0.58 -1.51 0.00 0.00 177.39 177.97 1bha h VAL 49 N 1.31 1.15 0.00 4.08 2.07 -0.85 0.40 116.25 124.40 1bha h VAL 49 Ca 0.00 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1bha h VAL 49 Cb 0.59 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1bha h VAL 49 CO 0.00 0.12 -0.08 1.55 0.02 0.00 0.00 177.57 179.18 1bha h PRO 50 N -0.11 0.00 -0.15 1.57 0.13 -1.71 -1.96 132.00 129.76 1bha h PRO 50 Ca 0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 1bha h PRO 50 Cb 0.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.31 1bha h PRO 50 CO -0.00 0.08 -0.63 0.00 -0.23 0.00 0.00 178.00 177.22 1bha h ALA 51 N 1.92 0.28 -0.17 -0.56 0.00 -0.45 -0.62 119.26 119.67 1bha h ALA 51 Ca -0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 1bha h ALA 51 Cb 0.81 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1bha h ALA 51 CO 0.01 0.55 -0.65 0.82 0.00 0.00 0.00 179.25 179.99 1bha h ILE 52 N 0.39 1.32 -0.55 0.00 2.04 -0.84 -1.40 117.51 118.47 1bha h ILE 52 Ca -0.04 -1.92 -0.04 0.00 1.00 0.00 0.00 64.86 63.86 1bha h ILE 52 Cb 1.26 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 1bha h ILE 52 CO 0.13 0.60 0.17 0.00 0.00 0.00 0.00 178.15 179.05 1bha h ALA 53 N 0.83 0.72 -0.47 1.87 0.00 -1.33 0.70 119.26 121.58 1bha h ALA 53 Ca -0.01 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1bha h ALA 53 Cb 1.23 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1bha h ALA 53 CO 0.12 0.38 -0.10 0.35 0.00 0.00 0.00 179.25 180.01 1bha h PHE 54 N 0.76 0.92 -0.42 0.00 3.57 -1.03 -0.34 116.94 120.41 1bha h PHE 54 Ca 0.18 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1bha h PHE 54 Cb 0.28 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1bha h PHE 54 CO 0.02 0.89 -0.08 1.15 -2.23 0.00 0.00 178.31 178.06 1bha h THR 55 N 0.76 1.27 -0.41 4.41 2.02 -0.90 -2.44 112.91 117.62 1bha h THR 55 Ca 0.13 -1.17 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 1bha h THR 55 Cb 0.60 1.18 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1bha h THR 55 CO 0.04 0.40 -0.17 0.24 0.37 0.00 0.00 175.52 176.39 1bha h MET 56 N 0.62 0.78 -0.85 6.66 2.86 -0.69 -0.32 114.93 123.98 1bha h MET 56 Ca 0.11 -0.29 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1bha h MET 56 Cb 0.61 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1bha h MET 56 CO 0.04 0.90 0.49 -0.92 1.06 0.00 0.00 176.91 178.48 1bha h TYR 57 N 0.69 1.14 0.01 -0.22 3.20 -0.91 -0.62 116.97 120.25 1bha h TYR 57 Ca 0.11 -0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.77 1bha h TYR 57 Cb 0.67 -0.37 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1bha h TYR 57 CO 0.03 0.77 -0.90 -0.07 -1.64 0.00 0.00 178.16 176.36 1bha h LEU 58 N 1.18 0.06 0.00 2.82 3.38 -1.21 0.93 115.31 122.47 1bha h LEU 58 Ca 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1bha h LEU 58 Cb -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1bha h LEU 58 CO -0.05 0.92 0.00 -0.24 0.09 0.00 0.00 178.44 179.16 1bha n SER 59 N -3.52 0.00 -0.07 -0.43 2.88 -0.15 -2.26 113.62 110.07 1bha n SER 59 Ca -0.01 0.10 -0.14 0.00 -1.33 0.00 0.00 58.87 57.48 1bha n SER 59 Cb 0.84 -0.34 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1bha n SER 59 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1bha n MET 60 N -1.34 0.29 0.33 -1.46 0.00 -0.32 -1.66 117.12 112.96 1bha n MET 60 Ca 0.09 0.13 -0.16 0.00 -0.00 0.00 0.00 57.70 57.76 1bha n MET 60 Cb 0.20 -0.99 -0.08 0.00 0.00 0.00 0.00 33.22 32.35 1bha n MET 60 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1bha h LEU 61 N -0.50 -1.04 -0.41 -0.89 7.12 -0.88 -3.01 115.31 115.70 1bha h LEU 61 Ca -0.33 0.06 -0.18 0.00 0.13 0.00 0.00 57.88 57.56 1bha h LEU 61 Cb 1.25 0.31 -0.01 0.00 -0.53 0.00 0.00 40.66 41.68 1bha h LEU 61 CO -0.20 -0.60 -0.77 -0.07 -0.13 0.00 0.00 178.44 176.67 1bha h LEU 62 N -0.96 0.33 -2.99 2.25 3.38 -1.67 -3.49 115.31 112.15 1bha h LEU 62 Ca -0.08 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1bha h LEU 62 Cb 0.78 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 1bha h LEU 62 CO 0.06 0.97 -0.01 0.61 0.09 0.00 0.00 178.44 180.16 1bha n GLY 63 N 0.63 -2.86 0.45 0.83 0.00 -1.14 -4.96 105.19 98.14 1bha n GLY 63 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1bha n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bha n TYR 64 N 0.01 0.00 0.00 1.61 4.01 -0.84 -4.41 117.16 117.54 1bha n TYR 64 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bha n TYR 64 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1bha n TYR 64 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bha n GLY 65 N 0.00 -0.62 0.31 2.72 0.00 -0.89 -4.89 105.19 101.83 1bha n GLY 65 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1bha n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bha h LEU 66 N 0.00 -0.62 0.06 0.99 6.46 -1.65 -3.16 115.31 117.39 1bha h LEU 66 Ca 0.00 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 1bha h LEU 66 Cb 0.00 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1bha h LEU 66 CO 0.00 -0.24 -0.44 0.74 -0.62 0.00 0.00 178.44 177.89 1bha h THR 67 N -1.14 1.61 -3.59 1.05 2.02 -1.77 -3.39 112.91 107.69 1bha h THR 67 Ca -0.07 -2.34 -0.78 0.00 0.77 0.00 0.00 66.41 63.99 1bha h THR 67 Cb 0.56 3.15 -0.29 0.00 -1.74 0.00 0.00 68.15 69.83 1bha h THR 67 CO 0.12 0.64 0.22 -0.04 0.37 0.00 0.00 175.52 176.84 1bha s MET 68 N -2.54 3.80 0.10 6.66 -1.94 -1.26 -4.87 119.30 119.25 1bha s MET 68 Ca -0.16 -3.00 -0.22 0.00 -1.71 0.00 0.00 55.69 50.60 1bha s MET 68 Cb -0.00 -4.37 -0.13 0.00 2.01 0.00 0.00 34.83 32.33 1bha s MET 68 CO 0.77 -1.25 1.74 0.28 -0.01 0.00 0.00 175.02 176.54 1bha h VAL 69 N 4.11 1.03 0.00 -6.03 2.07 -1.76 -2.36 116.25 113.32 1bha h VAL 69 Ca 0.15 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1bha h VAL 69 Cb 0.91 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1bha h VAL 69 CO 0.90 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 177.70