#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bha h GLN 3 N 0.00 0.32 -4.54 0.00 1.08 -2.07 -3.40 115.11 106.49 1bha h GLN 3 Ca 0.00 -0.55 -0.72 0.00 -1.45 0.00 0.00 58.65 55.93 1bha h GLN 3 Cb 0.00 0.20 -0.21 0.00 -0.05 0.00 0.00 27.48 27.42 1bha h GLN 3 CO 0.00 1.26 0.24 0.42 -0.95 0.00 0.00 178.83 179.80 1bha s ILE 4 N -2.44 4.99 -0.43 2.54 -1.09 -1.26 -4.83 121.20 118.67 1bha s ILE 4 Ca -0.13 -1.45 0.08 0.00 -2.23 0.00 0.00 60.65 56.91 1bha s ILE 4 Cb 0.01 -4.54 0.31 0.00 -1.58 0.00 0.00 42.46 36.66 1bha s ILE 4 CO 0.84 -1.17 0.90 1.07 -1.23 0.00 0.00 174.94 175.35 1bha n THR 5 N 5.18 -0.12 -0.22 2.92 5.66 -1.26 -4.97 114.28 121.46 1bha n THR 5 Ca 0.02 -2.71 -0.01 0.00 -3.05 0.00 0.00 64.05 58.30 1bha n THR 5 Cb 0.45 0.60 0.21 0.00 -1.55 0.00 0.00 70.33 70.04 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 3.25 1.07 -5.54 1.09 0.00 -1.98 -3.43 103.07 97.53 1bha h GLY 6 Ca -0.03 -0.44 -0.66 0.00 0.00 0.00 0.00 47.33 46.20 1bha h GLY 6 CO 0.31 0.43 0.70 -0.96 0.00 0.00 0.00 176.54 177.02 1bha n ARG 7 N -4.38 1.51 0.00 4.80 1.85 -1.26 -4.83 116.66 114.35 1bha n ARG 7 Ca 0.08 0.55 0.14 0.00 -1.00 0.00 0.00 57.85 57.61 1bha n ARG 7 Cb 0.07 -2.25 0.62 0.00 -1.05 0.00 0.00 32.46 29.84 1bha n ARG 7 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 1bha n PRO 8 N 3.78 0.06 -0.13 2.89 -0.04 -1.26 -3.34 135.00 136.96 1bha n PRO 8 Ca 0.20 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1bha n PRO 8 Cb 0.21 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 1bha n PRO 8 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1bha h GLU 9 N 0.00 0.92 -0.07 0.54 4.39 -1.95 0.93 114.58 119.33 1bha h GLU 9 Ca 0.00 -0.44 -0.14 0.00 0.34 0.00 0.00 59.36 59.12 1bha h GLU 9 Cb 0.45 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1bha h GLU 9 CO 0.00 1.09 -0.59 2.35 -1.16 0.00 0.00 179.01 180.71 1bha h TRP 10 N 0.75 0.30 -0.29 4.33 7.01 -1.92 -1.12 115.95 125.00 1bha h TRP 10 Ca 0.08 -0.11 -0.13 0.00 2.11 0.00 0.00 58.89 60.84 1bha h TRP 10 Cb 0.86 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.86 1bha h TRP 10 CO 0.06 0.77 -0.36 0.82 -2.79 0.00 0.00 178.44 176.94 1bha h ILE 11 N 0.18 1.29 -0.21 2.65 1.08 -1.56 0.29 117.51 121.23 1bha h ILE 11 Ca -0.00 -1.51 -0.13 0.00 -0.39 0.00 0.00 64.86 62.83 1bha h ILE 11 Cb 1.08 1.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 1bha h ILE 11 CO 0.09 0.49 -0.42 -0.25 -0.69 0.00 0.00 178.15 177.36 1bha h TRP 12 N 0.55 0.61 -0.16 1.37 2.91 -0.55 0.06 115.95 120.74 1bha h TRP 12 Ca 0.06 -0.18 -0.03 0.00 1.13 0.00 0.00 58.89 59.87 1bha h TRP 12 Cb 0.87 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.39 1bha h TRP 12 CO 0.04 0.85 -0.01 1.25 -1.03 0.00 0.00 178.44 179.54 1bha h LEU 13 N 0.42 0.29 -0.99 0.65 6.46 -0.81 0.76 115.31 122.09 1bha h LEU 13 Ca 0.03 -0.32 -0.02 0.00 -0.12 0.00 0.00 57.88 57.45 1bha h LEU 13 Cb 0.91 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.73 1bha h LEU 13 CO 0.08 0.54 0.42 0.00 -0.62 0.00 0.00 178.44 178.86 1bha h ALA 14 N 0.76 1.22 -0.65 1.25 0.00 -0.80 0.16 119.26 121.19 1bha h ALA 14 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1bha h ALA 14 Cb 0.40 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1bha h ALA 14 CO 0.01 0.62 0.16 1.25 0.00 0.00 0.00 179.25 181.29 1bha h LEU 15 N 1.13 0.99 -0.58 0.00 6.46 -0.75 0.22 115.31 122.78 1bha h LEU 15 Ca 0.28 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.76 1bha h LEU 15 Cb 0.06 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 1bha h LEU 15 CO -0.04 0.96 0.17 1.23 -0.62 0.00 0.00 178.44 180.14 1bha h GLY 16 N 0.96 0.98 1.38 3.75 0.00 -0.04 0.10 103.07 110.21 1bha h GLY 16 Ca 0.20 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.84 1bha h GLY 16 CO 0.00 0.55 -0.16 -0.84 0.00 0.00 0.00 176.54 176.09 1bha h THR 17 N 0.83 1.26 -0.32 4.70 2.02 -0.71 -0.42 112.91 120.27 1bha h THR 17 Ca 0.19 -1.23 -0.14 0.00 0.77 0.00 0.00 66.41 66.00 1bha h THR 17 Cb 0.30 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1bha h THR 17 CO -0.00 0.41 -0.36 0.00 0.37 0.00 0.00 175.52 175.94 1bha h ALA 18 N 1.17 0.76 -0.26 6.16 0.00 -0.62 -0.02 119.26 126.44 1bha h ALA 18 Ca 0.10 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1bha h ALA 18 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1bha h ALA 18 CO 0.05 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.23 1bha h LEU 19 N 0.61 0.43 -0.62 0.00 5.85 -0.46 0.04 115.31 121.17 1bha h LEU 19 Ca 0.06 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1bha h LEU 19 Cb 0.90 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1bha h LEU 19 CO 0.08 0.60 0.23 0.24 -0.34 0.00 0.00 178.44 179.25 1bha h MET 20 N 0.25 0.93 -0.74 1.25 2.86 -0.96 0.06 114.93 118.59 1bha h MET 20 Ca 0.08 -0.18 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1bha h MET 20 Cb 0.36 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1bha h MET 20 CO 0.01 0.80 0.23 0.78 1.06 0.00 0.00 176.91 179.79 1bha h GLY 21 N 0.87 1.22 1.17 8.32 0.00 -0.84 -0.10 103.07 113.70 1bha h GLY 21 Ca 0.20 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.69 1bha h GLY 21 CO -0.01 0.67 -0.18 -2.00 0.00 0.00 0.00 176.54 175.02 1bha h LEU 22 N 1.09 0.97 -0.54 3.11 6.46 -0.67 -0.75 115.31 124.98 1bha h LEU 22 Ca 0.24 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 1bha h LEU 22 Cb 0.30 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 39.94 1bha h LEU 22 CO -0.01 1.13 0.15 1.23 -0.62 0.00 0.00 178.44 180.31 1bha h GLY 23 N 0.92 0.93 1.09 3.75 0.00 -0.57 0.15 103.07 109.33 1bha h GLY 23 Ca 0.12 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 1bha h GLY 23 CO 0.06 0.53 -0.04 -0.84 0.00 0.00 0.00 176.54 176.25 1bha h THR 24 N 0.77 1.27 -0.29 4.70 2.02 -0.87 -0.16 112.91 120.34 1bha h THR 24 Ca 0.17 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 1bha h THR 24 Cb 0.32 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1bha h THR 24 CO -0.00 0.43 0.10 0.25 0.37 0.00 0.00 175.52 176.68 1bha h LEU 25 N 0.97 0.41 -1.08 2.58 5.85 -0.89 -0.81 115.31 122.34 1bha h LEU 25 Ca 0.16 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1bha h LEU 25 Cb 0.61 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1bha h LEU 25 CO 0.04 0.49 0.20 0.22 -0.34 0.00 0.00 178.44 179.04 1bha h TYR 26 N 0.32 0.86 -0.40 1.25 3.20 -0.80 -0.58 116.97 120.82 1bha h TYR 26 Ca 0.10 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1bha h TYR 26 Cb 0.21 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1bha h TYR 26 CO -0.00 0.69 -0.13 0.35 -1.64 0.00 0.00 178.16 177.43 1bha h PHE 27 N 0.83 0.78 -0.26 -3.82 3.57 -0.67 0.20 116.94 117.58 1bha h PHE 27 Ca 0.19 -0.14 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 1bha h PHE 27 Cb 0.22 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1bha h PHE 27 CO 0.01 0.80 -0.33 -0.07 -2.23 0.00 0.00 178.31 176.49 1bha h LEU 28 N 0.65 0.73 -0.99 0.59 3.38 -0.62 0.89 115.31 119.94 1bha h LEU 28 Ca 0.11 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1bha h LEU 28 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1bha h LEU 28 CO 0.04 1.09 -0.19 0.58 0.09 0.00 0.00 178.44 180.05 1bha h VAL 29 N 0.40 1.25 -0.21 1.22 2.07 -0.91 -0.71 116.25 119.36 1bha h VAL 29 Ca 0.03 -1.16 -0.17 0.00 0.82 0.00 0.00 66.70 66.22 1bha h VAL 29 Cb 0.91 1.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1bha h VAL 29 CO 0.08 0.37 -0.56 0.50 0.02 0.00 0.00 177.57 177.98 1bha h LYS 30 N 0.46 0.64 -0.02 1.57 3.64 -0.44 0.11 116.57 122.52 1bha h LYS 30 Ca 0.08 -0.41 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1bha h LYS 30 Cb 0.59 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1bha h LYS 30 CO 0.04 1.03 0.00 0.78 -2.27 0.00 0.00 179.45 179.03 1bha h GLY 31 N 0.96 0.04 1.51 5.01 0.00 -0.35 0.15 103.07 110.40 1bha h GLY 31 Ca 0.01 -0.03 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 1bha h GLY 31 CO 0.11 0.02 -0.36 -0.33 0.00 0.00 0.00 176.54 175.98 1bha h MET 32 N -0.20 0.55 -0.64 4.80 2.86 -1.15 -3.01 114.93 118.13 1bha h MET 32 Ca 0.01 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 1bha h MET 32 Cb 0.25 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1bha h MET 32 CO 0.00 0.83 0.07 0.78 1.06 0.00 0.00 176.91 179.65 1bha h GLY 33 N 1.05 1.18 -2.75 8.32 0.00 -0.68 -3.51 103.07 106.68 1bha h GLY 33 Ca 0.05 -0.82 0.28 0.00 0.00 0.00 0.00 47.33 46.84 1bha h GLY 33 CO 0.07 0.75 -0.65 1.55 0.00 0.00 0.00 176.54 178.26 1bha n VAL 34 N -4.21 0.00 0.00 4.60 3.14 0.03 -5.07 118.33 116.82 1bha n VAL 34 Ca 0.04 0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.75 1bha n VAL 34 Cb 0.31 -0.70 0.00 0.00 -1.06 0.00 0.00 33.84 32.40 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 -3.68 0.00 0.02 1.45 -0.04 -1.26 -5.03 135.00 126.46 1bha n PRO 37 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1bha n PRO 37 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 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 1.09 -0.39 0.19 3.54 8.00 -1.26 -4.79 116.55 122.95 1bha n ASP 38 Ca 0.00 0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.45 1bha n ASP 38 Cb 0.00 0.76 -0.08 0.00 -0.02 0.00 0.00 41.12 41.78 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 -0.50 0.00 2.24 0.00 -2.05 0.91 119.26 119.87 1bha h ALA 39 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1bha h ALA 39 Cb 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1bha h ALA 39 CO 0.00 -0.65 -0.32 0.87 0.00 0.00 0.00 179.25 179.15 1bha h LYS 40 N -0.76 0.00 -0.08 0.00 1.57 -1.99 -1.66 116.57 113.66 1bha h LYS 40 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1bha h LYS 40 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1bha h LYS 40 CO 0.08 0.32 0.01 -0.22 -0.57 0.00 0.00 179.45 179.08 1bha h LYS 41 N 0.00 0.12 -0.50 3.15 3.64 -1.82 0.49 116.57 121.66 1bha h LYS 41 Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1bha h LYS 41 Cb 0.63 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1bha h LYS 41 CO 0.04 0.33 0.19 0.35 -2.27 0.00 0.00 179.45 178.09 1bha h PHE 42 N -0.10 0.77 -0.82 1.91 3.57 -0.54 -1.68 116.94 120.05 1bha h PHE 42 Ca 0.02 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1bha h PHE 42 Cb 0.27 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1bha h PHE 42 CO 0.01 0.65 0.48 -0.92 -2.23 0.00 0.00 178.31 176.30 1bha h TYR 43 N 0.66 1.09 -0.46 0.41 3.20 -1.21 0.10 116.97 120.77 1bha h TYR 43 Ca 0.16 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.02 1bha h TYR 43 Cb 0.21 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1bha h TYR 43 CO 0.01 0.74 0.26 0.00 -1.64 0.00 0.00 178.16 177.52 1bha h ALA 44 N 1.26 0.59 -0.73 1.82 0.00 -0.61 0.13 119.26 121.72 1bha h ALA 44 Ca 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1bha h ALA 44 Cb -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1bha h ALA 44 CO -0.05 0.11 0.26 0.82 0.00 0.00 0.00 179.25 180.39 1bha h ILE 45 N 0.61 1.25 0.00 0.00 2.04 -0.81 0.13 117.51 120.74 1bha h ILE 45 Ca 0.16 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1bha h ILE 45 Cb 0.05 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1bha h ILE 45 CO -0.03 0.33 0.00 0.74 0.00 0.00 0.00 178.15 179.20 1bha h THR 46 N 1.07 0.00 0.00 -0.27 2.02 -0.16 0.13 112.91 115.70 1bha h THR 46 Ca 0.24 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1bha h THR 46 Cb 0.25 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1bha h THR 46 CO -0.01 0.00 -1.21 0.41 0.37 0.00 0.00 175.52 175.08 1bha n THR 47 N -2.86 0.28 0.91 3.16 -1.04 0.40 -3.87 114.28 111.25 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 -0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.75 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 -2.24 1.48 0.02 -4.42 7.99 0.33 -4.09 117.00 116.07 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 -0.08 0.00 -0.11 0.00 0.00 43.42 43.73 1bha n LEU 48 CO 0.41 0.30 0.79 0.58 -1.51 0.00 0.00 177.39 177.96 1bha h VAL 49 N 1.28 1.14 0.00 4.08 2.07 -0.87 0.03 116.25 123.98 1bha h VAL 49 Ca 0.00 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1bha h VAL 49 Cb 0.59 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1bha h VAL 49 CO 0.00 0.11 -0.19 1.55 0.02 0.00 0.00 177.57 179.06 1bha h PRO 50 N -0.17 0.00 -0.17 1.57 0.13 -1.72 -1.99 132.00 129.65 1bha h PRO 50 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 1bha h PRO 50 Cb 0.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.31 1bha h PRO 50 CO -0.00 0.19 -0.22 0.00 -0.23 0.00 0.00 178.00 177.75 1bha h ALA 51 N 1.81 0.25 -0.35 -0.56 0.00 -0.58 -0.85 119.26 118.98 1bha h ALA 51 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1bha h ALA 51 Cb 0.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1bha h ALA 51 CO 0.03 0.20 -0.39 0.82 0.00 0.00 0.00 179.25 179.90 1bha h ILE 52 N 0.08 1.28 -0.89 0.00 1.08 -0.95 -1.83 117.51 116.28 1bha h ILE 52 Ca 0.02 -1.57 0.01 0.00 -0.39 0.00 0.00 64.86 62.93 1bha h ILE 52 Cb 0.77 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.91 1bha h ILE 52 CO 0.05 0.52 0.58 0.00 -0.69 0.00 0.00 178.15 178.61 1bha h ALA 53 N 0.86 1.13 -0.48 1.87 0.00 -1.31 0.20 119.26 121.53 1bha h ALA 53 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1bha h ALA 53 Cb 0.97 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1bha h ALA 53 CO 0.09 0.54 -0.12 0.35 0.00 0.00 0.00 179.25 180.12 1bha h PHE 54 N 1.21 0.98 -0.60 0.00 3.57 -0.95 -0.48 116.94 120.67 1bha h PHE 54 Ca 0.33 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 1bha h PHE 54 Cb -0.13 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 1bha h PHE 54 CO -0.01 0.94 0.09 1.15 -2.23 0.00 0.00 178.31 178.25 1bha h THR 55 N 0.79 1.26 -0.31 4.41 2.02 -0.56 -2.16 112.91 118.36 1bha h THR 55 Ca 0.13 -1.01 -0.14 0.00 0.77 0.00 0.00 66.41 66.17 1bha h THR 55 Cb 0.63 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1bha h THR 55 CO 0.04 0.37 -0.37 0.24 0.37 0.00 0.00 175.52 176.18 1bha h MET 56 N 0.90 0.71 -0.45 6.66 2.86 -0.79 -0.16 114.93 124.66 1bha h MET 56 Ca 0.18 -0.35 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1bha h MET 56 Cb 0.43 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1bha h MET 56 CO 0.01 0.96 0.17 -0.92 1.06 0.00 0.00 176.91 178.19 1bha h TYR 57 N 0.59 0.64 0.12 -0.22 3.20 -0.84 -1.38 116.97 119.07 1bha h TYR 57 Ca 0.06 -0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.62 1bha h TYR 57 Cb 0.90 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1bha h TYR 57 CO 0.04 0.51 -1.28 -0.07 -1.64 0.00 0.00 178.16 175.72 1bha h LEU 58 N 0.64 0.39 -1.52 2.82 3.38 -1.20 0.13 115.31 119.94 1bha h LEU 58 Ca 0.15 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bha h LEU 58 Cb 0.15 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1bha h LEU 58 CO -0.01 1.35 0.00 -1.28 0.09 0.00 0.00 178.44 178.58 1bha h SER 59 N 0.07 0.00 0.00 -0.43 0.87 -0.43 -1.38 113.55 112.24 1bha h SER 59 Ca -0.15 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.08 1bha h SER 59 Cb 1.97 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.88 1bha h SER 59 CO 0.19 0.00 -2.16 0.80 -0.53 0.00 0.00 176.83 175.13 1bha n MET 60 N -2.61 0.46 0.24 2.24 0.00 -0.58 -1.89 117.12 114.98 1bha n MET 60 Ca -0.00 0.17 -0.14 0.00 -0.00 0.00 0.00 57.70 57.73 1bha n MET 60 Cb 0.17 -1.29 -0.07 0.00 0.00 0.00 0.00 33.22 32.02 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 -0.51 -1.05 -0.59 -0.89 5.85 -0.67 -2.84 115.31 114.62 1bha h LEU 61 Ca -0.50 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.14 1bha h LEU 61 Cb 1.54 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 1bha h LEU 61 CO -0.24 -0.52 -0.59 -0.07 -0.34 0.00 0.00 178.44 176.68 1bha h LEU 62 N -0.79 0.41 -2.85 2.25 3.38 -1.48 -3.49 115.31 112.75 1bha h LEU 62 Ca -0.05 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1bha h LEU 62 Cb 0.67 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1bha h LEU 62 CO -0.03 0.91 -0.09 0.61 0.09 0.00 0.00 178.44 179.92 1bha n GLY 63 N 0.28 -0.78 0.72 0.83 0.00 -1.07 -5.02 105.19 100.14 1bha n GLY 63 Ca -0.03 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.56 0.00 0.04 1.61 4.01 -0.94 -4.71 117.16 116.61 1bha n TYR 64 Ca 0.02 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1bha n TYR 64 Cb 0.16 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.17 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 0.10 -0.80 0.18 2.72 0.00 -1.20 -4.85 105.19 101.33 1bha n GLY 65 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 0.51 0.16 0.99 6.46 -1.73 -3.23 115.31 118.48 1bha h LEU 66 Ca 0.00 -0.34 -0.31 0.00 -0.12 0.00 0.00 57.88 57.11 1bha h LEU 66 Cb 0.00 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1bha h LEU 66 CO 0.00 1.09 -1.46 0.74 -0.62 0.00 0.00 178.44 178.19 1bha h THR 67 N 0.29 1.27 -1.45 1.05 2.02 -1.87 -3.40 112.91 110.82 1bha h THR 67 Ca -0.04 -2.83 -0.69 0.00 0.77 0.00 0.00 66.41 63.63 1bha h THR 67 Cb 1.33 2.89 -0.12 0.00 -1.74 0.00 0.00 68.15 70.51 1bha h THR 67 CO 0.13 0.84 1.72 -0.04 0.37 0.00 0.00 175.52 178.54 1bha s MET 68 N -2.62 3.93 0.08 6.66 -1.94 -1.22 -4.94 119.30 119.26 1bha s MET 68 Ca -0.08 -2.04 0.04 0.00 -1.71 0.00 0.00 55.69 51.89 1bha s MET 68 Cb 0.06 -5.31 -0.03 0.00 2.01 0.00 0.00 34.83 31.56 1bha s MET 68 CO 0.89 -2.05 -0.10 0.14 -0.01 0.00 0.00 175.02 173.88 1bha s VAL 69 N 3.36 0.90 -2.00 -6.03 -7.23 -1.26 -4.65 120.40 103.49 1bha s VAL 69 Ca 0.47 -1.48 0.24 0.00 -1.81 0.00 0.00 61.98 59.40 1bha s VAL 69 Cb 0.01 -1.18 0.68 0.00 0.56 0.00 0.00 36.38 36.45 1bha s VAL 69 CO 0.01 -0.46 1.80 -0.81 -0.31 0.00 0.00 175.10 175.33