#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bha n GLN 3 N 0.00 0.92 -2.93 0.00 6.02 -1.26 -5.05 117.38 115.09 1bha n GLN 3 Ca 0.00 -3.59 -0.44 0.00 -0.01 0.00 0.00 57.00 52.97 1bha n GLN 3 Cb 0.00 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 29.54 1bha n GLN 3 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1bha s ILE 4 N -0.93 4.63 -0.80 5.09 -1.09 -1.26 -4.79 121.20 122.05 1bha s ILE 4 Ca 0.33 -1.22 0.26 0.00 -2.23 0.00 0.00 60.65 57.79 1bha s ILE 4 Cb 0.09 -4.73 0.12 0.00 -1.58 0.00 0.00 42.46 36.35 1bha s ILE 4 CO -0.14 -1.46 1.53 1.07 -1.23 0.00 0.00 174.94 174.71 1bha n THR 5 N 5.60 0.26 0.00 2.92 5.66 -1.26 -4.65 114.28 122.82 1bha n THR 5 Ca 0.14 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1bha n THR 5 Cb 0.48 -0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 1bha n THR 5 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bha n GLY 6 N 1.40 0.36 3.72 1.09 0.00 -1.26 -4.92 105.19 105.58 1bha n GLY 6 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1bha n GLY 6 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1bha s ARG 7 N 0.00 1.98 0.00 1.61 1.70 -1.26 -4.94 118.95 118.04 1bha s ARG 7 Ca 0.00 1.63 0.21 0.00 -0.47 0.00 0.00 55.73 57.10 1bha s ARG 7 Cb 0.00 -1.83 0.54 0.00 -0.57 0.00 0.00 34.95 33.09 1bha s ARG 7 CO 0.00 -1.93 1.45 -0.35 -1.08 0.00 0.00 175.30 173.40 1bha n PRO 8 N -3.07 2.64 -0.06 3.89 -0.04 -1.26 -4.36 135.00 132.73 1bha n PRO 8 Ca 0.12 -2.47 -0.14 0.00 -0.04 0.00 0.00 63.50 60.97 1bha n PRO 8 Cb 0.51 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 4.05 0.60 -0.06 0.54 5.08 -1.95 0.56 114.58 123.40 1bha h GLU 9 Ca 0.00 -0.39 -0.11 0.00 -1.00 0.00 0.00 59.36 57.86 1bha h GLU 9 Cb 0.95 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1bha h GLU 9 CO 0.00 1.00 -0.49 2.35 -1.00 0.00 0.00 179.01 180.87 1bha h TRP 10 N 0.28 0.18 -0.30 4.33 7.01 -1.94 -0.68 115.95 124.84 1bha h TRP 10 Ca 0.01 -0.05 -0.16 0.00 2.11 0.00 0.00 58.89 60.80 1bha h TRP 10 Cb 0.98 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.00 1bha h TRP 10 CO 0.09 0.61 -0.45 0.82 -2.79 0.00 0.00 178.44 176.72 1bha h ILE 11 N 0.12 1.29 -0.28 2.65 1.08 -1.75 0.59 117.51 121.21 1bha h ILE 11 Ca 0.00 -1.64 -0.12 0.00 -0.39 0.00 0.00 64.86 62.72 1bha h ILE 11 Cb 0.91 1.54 -0.01 0.00 -3.07 0.00 0.00 36.82 36.18 1bha h ILE 11 CO 0.07 0.53 -0.31 -0.25 -0.69 0.00 0.00 178.15 177.50 1bha h TRP 12 N 0.61 0.68 -0.20 1.37 7.01 -0.53 0.54 115.95 125.43 1bha h TRP 12 Ca 0.04 -0.17 -0.04 0.00 2.11 0.00 0.00 58.89 60.83 1bha h TRP 12 Cb 1.01 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1bha h TRP 12 CO 0.05 0.83 -0.04 1.25 -2.79 0.00 0.00 178.44 177.75 1bha h LEU 13 N 0.50 0.37 -0.98 0.65 6.46 -0.85 0.66 115.31 122.12 1bha h LEU 13 Ca 0.06 -0.35 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1bha h LEU 13 Cb 0.79 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.58 1bha h LEU 13 CO 0.06 0.64 0.41 0.00 -0.62 0.00 0.00 178.44 178.94 1bha h ALA 14 N 0.75 1.21 -0.64 1.25 0.00 -0.69 0.43 119.26 121.57 1bha h ALA 14 Ca 0.05 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1bha h ALA 14 Cb 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1bha h ALA 14 CO 0.02 0.62 0.08 1.25 0.00 0.00 0.00 179.25 181.22 1bha h LEU 15 N 1.13 1.04 -0.59 0.00 6.46 -0.68 -0.04 115.31 122.64 1bha h LEU 15 Ca 0.28 -0.27 -0.06 0.00 -0.12 0.00 0.00 57.88 57.71 1bha h LEU 15 Cb 0.07 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 1bha h LEU 15 CO -0.04 1.05 0.14 1.23 -0.62 0.00 0.00 178.44 180.20 1bha h GLY 16 N 1.00 1.01 1.39 3.75 0.00 -0.06 0.93 103.07 111.09 1bha h GLY 16 Ca 0.19 -0.64 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1bha h GLY 16 CO 0.02 0.59 -0.20 -0.84 0.00 0.00 0.00 176.54 176.11 1bha h THR 17 N 0.85 1.27 -0.32 4.70 2.02 -0.69 -0.40 112.91 120.34 1bha h THR 17 Ca 0.18 -1.28 -0.14 0.00 0.77 0.00 0.00 66.41 65.94 1bha h THR 17 Cb 0.35 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1bha h THR 17 CO 0.00 0.43 -0.37 0.00 0.37 0.00 0.00 175.52 175.94 1bha h ALA 18 N 1.15 0.75 -0.23 6.16 0.00 -0.70 -0.07 119.26 126.31 1bha h ALA 18 Ca 0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1bha h ALA 18 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1bha h ALA 18 CO 0.05 0.66 0.02 1.25 0.00 0.00 0.00 179.25 181.23 1bha h LEU 19 N 0.61 0.38 -0.56 0.00 5.85 -0.51 -0.14 115.31 120.94 1bha h LEU 19 Ca 0.06 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1bha h LEU 19 Cb 0.91 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 1bha h LEU 19 CO 0.08 0.57 0.26 0.24 -0.34 0.00 0.00 178.44 179.25 1bha h MET 20 N 0.18 0.81 -0.57 1.25 2.86 -0.97 -0.23 114.93 118.26 1bha h MET 20 Ca 0.07 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1bha h MET 20 Cb 0.36 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1bha h MET 20 CO 0.01 0.67 0.28 0.78 1.06 0.00 0.00 176.91 179.72 1bha h GLY 21 N 0.76 0.88 1.00 8.32 0.00 -0.88 -0.66 103.07 112.49 1bha h GLY 21 Ca 0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1bha h GLY 21 CO -0.02 0.41 0.23 -2.00 0.00 0.00 0.00 176.54 175.15 1bha h LEU 22 N 0.78 0.83 -0.61 3.11 6.46 -0.76 -0.81 115.31 124.30 1bha h LEU 22 Ca 0.20 -0.18 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 1bha h LEU 22 Cb 0.10 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1bha h LEU 22 CO -0.03 0.78 0.41 1.23 -0.62 0.00 0.00 178.44 180.21 1bha h GLY 23 N 0.83 0.87 1.25 3.75 0.00 -0.64 -0.21 103.07 108.91 1bha h GLY 23 Ca 0.20 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1bha h GLY 23 CO -0.01 0.31 0.11 -0.84 0.00 0.00 0.00 176.54 176.11 1bha h THR 24 N 0.83 1.24 -0.39 4.70 2.02 -0.80 -0.16 112.91 120.34 1bha h THR 24 Ca 0.23 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1bha h THR 24 Cb -0.09 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1bha h THR 24 CO -0.05 0.34 0.16 0.25 0.37 0.00 0.00 175.52 176.59 1bha h LEU 25 N 0.88 0.54 -0.86 2.58 6.46 -0.50 -0.80 115.31 123.62 1bha h LEU 25 Ca 0.18 -0.17 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 1bha h LEU 25 Cb 0.37 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1bha h LEU 25 CO 0.01 0.56 0.15 0.22 -0.62 0.00 0.00 178.44 178.76 1bha h TYR 26 N 0.49 1.04 -0.49 1.25 5.03 -0.71 -1.43 116.97 122.16 1bha h TYR 26 Ca 0.13 -0.11 -0.06 0.00 2.58 0.00 0.00 58.73 61.26 1bha h TYR 26 Cb 0.19 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.15 1bha h TYR 26 CO -0.00 0.86 0.04 0.35 -1.32 0.00 0.00 178.16 178.09 1bha h PHE 27 N 0.95 0.82 -0.43 -3.82 3.57 -0.68 -0.62 116.94 116.74 1bha h PHE 27 Ca 0.20 -0.10 -0.14 0.00 3.53 0.00 0.00 57.97 61.46 1bha h PHE 27 Cb 0.35 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1bha h PHE 27 CO 0.02 0.74 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.48 1bha h LEU 28 N 0.74 0.99 -0.90 0.59 3.38 -0.75 0.60 115.31 119.97 1bha h LEU 28 Ca 0.15 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1bha h LEU 28 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1bha h LEU 28 CO 0.01 1.21 0.25 0.58 0.09 0.00 0.00 178.44 180.59 1bha h VAL 29 N 0.78 1.25 -0.29 1.22 2.07 -0.87 -0.23 116.25 120.19 1bha h VAL 29 Ca 0.08 -0.81 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 1bha h VAL 29 Cb 0.88 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1bha h VAL 29 CO 0.08 0.32 -0.44 0.11 0.02 0.00 0.00 177.57 177.66 1bha h LYS 30 N 1.03 0.73 -0.32 1.57 1.57 -0.90 0.19 116.57 120.45 1bha h LYS 30 Ca 0.23 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1bha h LYS 30 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1bha h LYS 30 CO -0.02 1.02 0.16 0.78 -0.57 0.00 0.00 179.45 180.83 1bha h GLY 31 N 0.92 0.48 2.00 3.86 0.00 -0.24 -2.69 103.07 107.40 1bha h GLY 31 Ca 0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 1bha h GLY 31 CO 0.09 0.22 -0.65 -0.33 0.00 0.00 0.00 176.54 175.87 1bha h MET 32 N 0.39 0.00 -1.95 4.80 2.86 -1.00 -3.48 114.93 116.54 1bha h MET 32 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1bha h MET 32 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 1bha h MET 32 CO -0.02 0.65 0.00 0.41 1.06 0.00 0.00 176.91 179.02 1bha n GLY 33 N 0.61 0.23 3.88 8.32 0.00 0.51 -5.09 105.19 113.64 1bha n GLY 33 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1bha n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bha n VAL 34 N -0.70 0.00 0.08 1.61 0.31 -0.23 -5.02 118.33 114.37 1bha n VAL 34 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1bha n VAL 34 Cb 0.33 -0.48 -0.15 0.00 -0.91 0.00 0.00 33.84 32.63 1bha n VAL 34 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1bha h PRO 37 N 0.00 0.33 0.00 5.55 0.13 -2.06 -3.52 132.00 132.43 1bha h PRO 37 Ca 0.00 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1bha h PRO 37 Cb 0.01 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1bha h PRO 37 CO 0.00 1.22 -0.12 0.22 -0.23 0.00 0.00 178.00 179.09 1bha h ASP 38 N 0.09 0.00 -0.16 1.44 3.58 -2.05 -3.17 116.42 116.15 1bha h ASP 38 Ca -0.26 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.09 1bha h ASP 38 Cb 2.05 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 43.09 1bha h ASP 38 CO 0.19 0.00 -0.24 0.00 -2.88 0.00 0.00 179.24 176.31 1bha h ALA 39 N 2.00 1.00 -0.21 -0.78 0.00 -2.05 0.54 119.26 119.76 1bha h ALA 39 Ca 0.00 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1bha h ALA 39 Cb 1.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bha h ALA 39 CO 0.00 0.59 -0.52 0.87 0.00 0.00 0.00 179.25 180.19 1bha h LYS 40 N 0.54 0.61 -0.29 0.00 1.57 -1.98 -0.85 116.57 116.16 1bha h LYS 40 Ca 0.08 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 1bha h LYS 40 Cb 0.70 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1bha h LYS 40 CO 0.05 0.98 -0.06 0.87 -0.57 0.00 0.00 179.45 180.72 1bha h LYS 41 N 0.47 0.56 -0.53 3.15 1.57 -1.46 -0.59 116.57 119.74 1bha h LYS 41 Ca 0.02 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1bha h LYS 41 Cb 1.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1bha h LYS 41 CO 0.10 0.75 0.23 0.35 -0.57 0.00 0.00 179.45 180.32 1bha h PHE 42 N 0.33 0.78 -0.78 -1.35 3.57 -0.82 -1.24 116.94 117.43 1bha h PHE 42 Ca 0.08 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1bha h PHE 42 Cb 0.54 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1bha h PHE 42 CO 0.05 0.62 0.28 -0.92 -2.23 0.00 0.00 178.31 176.11 1bha h TYR 43 N 0.71 1.21 -0.44 0.41 3.20 -1.06 0.12 116.97 121.12 1bha h TYR 43 Ca 0.18 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1bha h TYR 43 Cb 0.15 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1bha h TYR 43 CO -0.00 0.93 0.22 0.00 -1.64 0.00 0.00 178.16 177.67 1bha h ALA 44 N 1.16 0.57 -0.59 1.82 0.00 -0.80 0.14 119.26 121.56 1bha h ALA 44 Ca 0.26 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bha h ALA 44 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1bha h ALA 44 CO -0.02 0.13 0.28 0.82 0.00 0.00 0.00 179.25 180.46 1bha h ILE 45 N 0.58 1.21 0.00 0.00 2.04 -0.87 0.17 117.51 120.64 1bha h ILE 45 Ca 0.15 -0.60 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 1bha h ILE 45 Cb 0.10 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1bha h ILE 45 CO -0.02 0.24 -0.14 0.74 0.00 0.00 0.00 178.15 178.98 1bha h THR 46 N 0.81 0.57 0.00 -0.27 2.02 -0.52 -0.13 112.91 115.40 1bha h THR 46 Ca 0.20 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1bha h THR 46 Cb 0.13 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1bha h THR 46 CO -0.02 0.14 -0.66 0.74 0.37 0.00 0.00 175.52 176.08 1bha h THR 47 N 0.00 0.00 -0.35 3.16 2.02 0.43 -3.24 112.91 114.93 1bha h THR 47 Ca -0.00 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1bha h THR 47 Cb 0.40 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1bha h THR 47 CO 0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.09 1bha n LEU 48 N -2.35 3.24 0.01 2.58 4.32 0.48 -4.42 117.00 120.86 1bha n LEU 48 Ca 0.02 -1.53 -0.12 0.00 -0.02 0.00 0.00 56.01 54.37 1bha n LEU 48 Cb 0.48 -0.23 -0.06 0.00 -1.62 0.00 0.00 43.42 41.99 1bha n LEU 48 CO 0.37 0.71 0.86 0.58 -1.22 0.00 0.00 177.39 178.69 1bha h VAL 49 N 3.87 1.06 0.00 4.08 2.07 -1.10 0.12 116.25 126.35 1bha h VAL 49 Ca 0.00 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1bha h VAL 49 Cb 0.89 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1bha h VAL 49 CO 0.00 0.05 -0.25 1.55 0.02 0.00 0.00 177.57 178.94 1bha h PRO 50 N 0.01 0.00 -0.29 1.57 0.13 -1.09 -1.63 132.00 130.71 1bha h PRO 50 Ca 0.02 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.00 1bha h PRO 50 Cb 0.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 1bha h PRO 50 CO -0.00 0.25 -0.40 0.00 -0.23 0.00 0.00 178.00 177.61 1bha h ALA 51 N 1.75 0.43 -0.14 -0.56 0.00 0.22 -0.29 119.26 120.67 1bha h ALA 51 Ca -0.00 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 1bha h ALA 51 Cb 0.93 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bha h ALA 51 CO 0.03 0.54 -0.74 0.82 0.00 0.00 0.00 179.25 179.91 1bha h ILE 52 N 0.53 1.29 -0.81 0.00 1.08 -0.71 -1.41 117.51 117.49 1bha h ILE 52 Ca 0.03 -1.95 0.01 0.00 -0.39 0.00 0.00 64.86 62.56 1bha h ILE 52 Cb 1.00 2.02 -0.04 0.00 -3.07 0.00 0.00 36.82 36.73 1bha h ILE 52 CO 0.09 0.61 0.53 0.00 -0.69 0.00 0.00 178.15 178.70 1bha h ALA 53 N 0.53 1.02 -0.49 1.87 0.00 -1.26 0.24 119.26 121.17 1bha h ALA 53 Ca -0.05 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1bha h ALA 53 Cb 1.37 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1bha h ALA 53 CO 0.15 0.44 -0.20 0.35 0.00 0.00 0.00 179.25 180.00 1bha h PHE 54 N 1.10 1.14 -0.69 0.00 3.57 -1.00 -1.02 116.94 120.04 1bha h PHE 54 Ca 0.30 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1bha h PHE 54 Cb -0.12 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 1bha h PHE 54 CO -0.01 1.10 0.37 1.15 -2.23 0.00 0.00 178.31 178.69 1bha h THR 55 N 0.86 1.21 -0.31 4.41 2.02 -0.64 0.22 112.91 120.68 1bha h THR 55 Ca 0.11 -0.54 -0.07 0.00 0.77 0.00 0.00 66.41 66.68 1bha h THR 55 Cb 0.78 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1bha h THR 55 CO 0.06 0.24 -0.07 0.24 0.37 0.00 0.00 175.52 176.36 1bha h MET 56 N 0.94 0.59 0.00 6.66 2.86 -0.84 0.53 114.93 125.67 1bha h MET 56 Ca 0.24 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1bha h MET 56 Cb 0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1bha h MET 56 CO -0.04 0.77 -0.31 -0.92 1.06 0.00 0.00 176.91 177.48 1bha h TYR 57 N 0.36 0.00 0.06 -0.22 3.20 -0.92 -2.26 116.97 117.19 1bha h TYR 57 Ca 0.08 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.71 1bha h TYR 57 Cb 0.55 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1bha h TYR 57 CO 0.05 0.31 -1.06 1.25 -1.64 0.00 0.00 178.16 177.07 1bha h LEU 58 N 0.00 0.32 -0.79 2.82 5.85 -0.36 0.12 115.31 123.27 1bha h LEU 58 Ca -0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1bha h LEU 58 Cb 0.55 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1bha h LEU 58 CO 0.04 1.18 0.00 -1.28 -0.34 0.00 0.00 178.44 178.04 1bha h SER 59 N 0.09 0.00 0.00 1.25 0.87 -0.34 -1.26 113.55 114.16 1bha h SER 59 Ca -0.08 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.28 1bha h SER 59 Cb 1.75 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.68 1bha h SER 59 CO 0.17 0.00 -1.60 0.80 -0.53 0.00 0.00 176.83 175.67 1bha n MET 60 N -2.34 0.50 0.32 2.24 0.00 -0.92 -1.47 117.12 115.46 1bha n MET 60 Ca 0.02 0.21 -0.16 0.00 -0.00 0.00 0.00 57.70 57.77 1bha n MET 60 Cb 0.24 -1.36 -0.08 0.00 0.00 0.00 0.00 33.22 32.01 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 -0.90 -1.09 -0.54 -0.89 7.12 -0.81 -2.94 115.31 115.25 1bha h LEU 61 Ca -0.30 0.07 -0.11 0.00 0.13 0.00 0.00 57.88 57.68 1bha h LEU 61 Cb 1.21 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 41.65 1bha h LEU 61 CO -0.18 -0.61 -0.09 0.25 -0.13 0.00 0.00 178.44 177.68 1bha h LEU 62 N -0.96 1.02 -2.18 2.25 7.12 -1.43 -3.49 115.31 117.64 1bha h LEU 62 Ca -0.08 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1bha h LEU 62 Cb 0.79 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1bha h LEU 62 CO 0.04 1.12 0.00 0.61 -0.13 0.00 0.00 178.44 180.08 1bha n GLY 63 N -0.29 -1.53 0.00 3.75 0.00 -1.11 -5.04 105.19 100.98 1bha n GLY 63 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.12 0.00 0.00 1.61 4.01 -0.54 -4.67 117.16 117.44 1bha n TYR 64 Ca 0.00 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 1bha n TYR 64 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.18 -0.32 0.10 2.72 0.00 -1.21 -4.88 105.19 101.42 1bha n GLY 65 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1bha n GLY 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1bha h LEU 66 N 0.00 0.21 0.22 0.99 4.07 -1.84 -2.77 115.31 116.18 1bha h LEU 66 Ca 0.00 -0.10 -0.32 0.00 0.08 0.00 0.00 57.88 57.54 1bha h LEU 66 Cb 0.00 -0.05 0.03 0.00 1.08 0.00 0.00 40.66 41.71 1bha h LEU 66 CO 0.00 0.25 -1.45 0.74 -1.08 0.00 0.00 178.44 176.89 1bha h THR 67 N 0.16 1.30 -2.30 0.22 2.02 -1.79 -3.37 112.91 109.15 1bha h THR 67 Ca 0.06 -2.78 -0.79 0.00 0.77 0.00 0.00 66.41 63.67 1bha h THR 67 Cb 0.09 2.99 -0.24 0.00 -1.74 0.00 0.00 68.15 69.25 1bha h THR 67 CO -0.01 0.83 1.25 0.23 0.37 0.00 0.00 175.52 178.20 1bha n MET 68 N -3.65 4.46 0.02 6.66 2.81 -1.18 -4.77 117.12 121.47 1bha n MET 68 Ca -0.16 -4.25 -0.12 0.00 -1.81 0.00 0.00 57.70 51.37 1bha n MET 68 Cb 1.08 -2.61 -0.06 0.00 -0.71 0.00 0.00 33.22 30.92 1bha n MET 68 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1bha h VAL 69 N 3.23 1.03 0.00 2.03 2.07 -1.66 -3.38 116.25 119.57 1bha h VAL 69 Ca 0.34 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1bha h VAL 69 Cb 0.54 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1bha h VAL 69 CO 1.39 0.03 0.00 -0.81 0.02 0.00 0.00 177.57 178.20