#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 0.31 -0.80 0.00 2.00 -1.26 -5.10 119.66 114.81 1bha s GLN 3 Ca 0.00 0.62 -0.22 0.00 -2.00 0.00 0.00 55.36 53.76 1bha s GLN 3 Cb 0.00 -0.03 0.08 0.00 0.80 0.00 0.00 33.01 33.86 1bha s GLN 3 CO 0.00 -0.14 1.14 0.42 -0.50 0.00 0.00 175.29 176.21 1bha s ILE 4 N 1.12 4.27 -0.09 -2.34 -1.09 -1.26 -4.67 121.20 117.14 1bha s ILE 4 Ca -0.08 -0.63 0.18 0.00 -2.23 0.00 0.00 60.65 57.89 1bha s ILE 4 Cb -0.08 -4.81 0.34 0.00 -1.58 0.00 0.00 42.46 36.33 1bha s ILE 4 CO -0.09 -1.61 1.16 1.07 -1.23 0.00 0.00 174.94 174.24 1bha n THR 5 N 6.04 0.25 -3.94 2.92 5.66 -1.26 -5.12 114.28 118.84 1bha n THR 5 Ca 0.11 -1.14 0.01 0.00 -3.05 0.00 0.00 64.05 59.98 1bha n THR 5 Cb 0.48 0.94 0.01 0.00 -1.55 0.00 0.00 70.33 70.21 1bha n THR 5 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1bha s GLY 6 N -2.02 -0.08 0.88 1.09 0.00 -1.26 -5.09 107.32 100.84 1bha s GLY 6 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 44.72 44.79 1bha s GLY 6 CO -0.10 4.51 1.10 0.50 0.00 0.00 0.00 173.10 179.11 1bha s ARG 7 N -2.08 1.40 0.45 2.90 0.52 -1.26 -4.75 118.95 116.13 1bha s ARG 7 Ca 0.27 0.58 0.15 0.00 -0.52 0.00 0.00 55.73 56.21 1bha s ARG 7 Cb -0.01 -1.84 1.08 0.00 0.52 0.00 0.00 34.95 34.69 1bha s ARG 7 CO 0.01 -2.08 1.98 -1.35 0.02 0.00 0.00 175.30 173.87 1bha h PRO 8 N -1.42 0.35 -0.20 3.54 0.11 -2.02 0.19 132.00 132.55 1bha h PRO 8 Ca -0.50 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.42 1bha h PRO 8 Cb 1.30 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1bha h PRO 8 CO 0.58 0.23 -0.58 1.49 -0.21 0.00 0.00 178.00 179.51 1bha h GLU 9 N 0.36 0.65 -0.21 1.05 4.81 -1.98 0.30 114.58 119.56 1bha h GLU 9 Ca 0.28 -0.43 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 1bha h GLU 9 Cb 0.62 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1bha h GLU 9 CO -0.07 1.05 -0.39 2.35 -0.73 0.00 0.00 179.01 181.21 1bha h TRP 10 N 0.49 0.56 -0.29 0.92 7.01 -1.30 0.10 115.95 123.44 1bha h TRP 10 Ca 0.00 -0.16 -0.17 0.00 2.11 0.00 0.00 58.89 60.68 1bha h TRP 10 Cb 1.15 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 28.08 1bha h TRP 10 CO 0.06 0.80 -0.47 0.82 -2.79 0.00 0.00 178.44 176.85 1bha h ILE 11 N 0.40 1.29 -0.23 2.65 1.08 -0.52 -0.04 117.51 122.13 1bha h ILE 11 Ca 0.04 -1.67 -0.11 0.00 -0.39 0.00 0.00 64.86 62.73 1bha h ILE 11 Cb 0.87 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 1bha h ILE 11 CO 0.07 0.54 -0.32 -0.25 -0.69 0.00 0.00 178.15 177.51 1bha h TRP 12 N 0.63 0.55 -0.23 1.37 2.91 -0.62 0.68 115.95 121.25 1bha h TRP 12 Ca 0.03 -0.13 -0.05 0.00 1.13 0.00 0.00 58.89 59.87 1bha h TRP 12 Cb 1.05 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 29.56 1bha h TRP 12 CO 0.06 0.75 -0.05 1.25 -1.03 0.00 0.00 178.44 179.42 1bha h LEU 13 N 0.42 0.43 -1.00 0.65 5.85 -0.52 0.73 115.31 121.87 1bha h LEU 13 Ca 0.05 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.36 1bha h LEU 13 Cb 0.76 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1bha h LEU 13 CO 0.06 0.69 0.18 0.00 -0.34 0.00 0.00 178.44 179.03 1bha h ALA 14 N 0.75 1.19 -0.58 1.25 0.00 -0.77 0.07 119.26 121.18 1bha h ALA 14 Ca 0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1bha h ALA 14 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1bha h ALA 14 CO 0.02 0.56 0.03 1.25 0.00 0.00 0.00 179.25 181.11 1bha h LEU 15 N 0.87 0.97 -0.67 0.00 6.46 -0.63 -0.28 115.31 122.03 1bha h LEU 15 Ca 0.19 -0.29 -0.08 0.00 -0.12 0.00 0.00 57.88 57.58 1bha h LEU 15 Cb 0.27 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 1bha h LEU 15 CO -0.01 1.02 0.11 1.23 -0.62 0.00 0.00 178.44 180.18 1bha h GLY 16 N 0.89 1.19 1.54 3.75 0.00 -0.23 0.14 103.07 110.35 1bha h GLY 16 Ca 0.17 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.60 1bha h GLY 16 CO 0.02 0.73 -0.29 -0.84 0.00 0.00 0.00 176.54 176.16 1bha h THR 17 N 1.03 1.28 -0.07 4.70 2.02 -0.76 -0.48 112.91 120.62 1bha h THR 17 Ca 0.20 -1.37 -0.18 0.00 0.77 0.00 0.00 66.41 65.84 1bha h THR 17 Cb 0.44 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1bha h THR 17 CO 0.01 0.44 -0.71 0.00 0.37 0.00 0.00 175.52 175.63 1bha h ALA 18 N 1.23 0.64 0.21 6.16 0.00 -0.70 0.91 119.26 127.72 1bha h ALA 18 Ca 0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1bha h ALA 18 Cb 0.74 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1bha h ALA 18 CO 0.06 0.76 -0.10 1.25 0.00 0.00 0.00 179.25 181.22 1bha h LEU 19 N 0.25 -0.24 -0.98 0.00 5.85 -0.40 0.17 115.31 119.95 1bha h LEU 19 Ca -0.03 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1bha h LEU 19 Cb 1.27 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1bha h LEU 19 CO 0.12 0.10 0.07 0.24 -0.34 0.00 0.00 178.44 178.63 1bha h MET 20 N -0.62 0.81 -0.59 1.25 2.86 -1.12 -0.76 114.93 116.77 1bha h MET 20 Ca -0.03 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.37 1bha h MET 20 Cb 0.45 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1bha h MET 20 CO 0.05 0.77 0.16 0.78 1.06 0.00 0.00 176.91 179.72 1bha h GLY 21 N 0.97 1.00 1.20 8.32 0.00 -0.74 -0.08 103.07 113.74 1bha h GLY 21 Ca 0.16 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.75 1bha h GLY 21 CO 0.01 0.58 -0.20 -2.00 0.00 0.00 0.00 176.54 174.92 1bha h LEU 22 N 0.84 0.94 -0.45 3.11 5.85 -0.66 -0.62 115.31 124.32 1bha h LEU 22 Ca 0.19 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1bha h LEU 22 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1bha h LEU 22 CO -0.00 1.11 0.20 1.23 -0.34 0.00 0.00 178.44 180.63 1bha h GLY 23 N 0.92 0.72 1.16 3.75 0.00 -0.82 0.27 103.07 109.06 1bha h GLY 23 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1bha h GLY 23 CO 0.06 0.35 -0.08 -0.84 0.00 0.00 0.00 176.54 176.03 1bha h THR 24 N 0.59 1.27 -0.27 4.70 2.02 -0.88 -0.35 112.91 119.98 1bha h THR 24 Ca 0.15 -1.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 1bha h THR 24 Cb 0.16 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1bha h THR 24 CO -0.02 0.43 0.14 0.25 0.37 0.00 0.00 175.52 176.69 1bha h LEU 25 N 0.89 0.36 -1.10 2.58 6.46 -0.83 -0.85 115.31 122.82 1bha h LEU 25 Ca 0.14 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.73 1bha h LEU 25 Cb 0.63 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1bha h LEU 25 CO 0.04 0.37 0.06 0.22 -0.62 0.00 0.00 178.44 178.52 1bha h TYR 26 N 0.31 0.73 -0.12 1.25 3.20 -0.78 0.28 116.97 121.84 1bha h TYR 26 Ca 0.09 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 1bha h TYR 26 Cb 0.11 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 1bha h TYR 26 CO -0.02 0.65 -0.28 0.35 -1.64 0.00 0.00 178.16 177.22 1bha h PHE 27 N 0.67 0.24 0.15 -3.82 3.57 -0.60 -1.12 116.94 116.03 1bha h PHE 27 Ca 0.15 -0.05 -0.29 0.00 3.53 0.00 0.00 57.97 61.31 1bha h PHE 27 Cb 0.33 -0.06 0.02 0.00 2.79 0.00 0.00 35.95 39.02 1bha h PHE 27 CO 0.02 0.48 -1.28 -0.07 -2.23 0.00 0.00 178.31 175.23 1bha h LEU 28 N 0.19 0.63 -0.08 0.59 3.38 -0.54 0.28 115.31 119.77 1bha h LEU 28 Ca 0.03 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 1bha h LEU 28 Cb 0.60 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1bha h LEU 28 CO 0.04 1.48 0.05 0.58 0.09 0.00 0.00 178.44 180.69 1bha h VAL 29 N 0.15 1.05 0.00 1.22 2.07 -0.66 -1.67 116.25 118.41 1bha h VAL 29 Ca -0.17 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1bha h VAL 29 Cb 1.97 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1bha h VAL 29 CO 0.23 0.04 -0.46 0.07 0.02 0.00 0.00 177.57 177.47 1bha h LYS 30 N 0.08 0.00 -0.82 1.57 2.10 -1.29 -3.23 116.57 114.98 1bha h LYS 30 Ca 0.03 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.72 1bha h LYS 30 Cb 0.03 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.31 1bha h LYS 30 CO -0.01 0.46 0.52 0.78 -2.00 0.00 0.00 179.45 179.21 1bha h GLY 31 N 3.27 1.20 1.01 0.07 0.00 0.14 -1.72 103.07 107.04 1bha h GLY 31 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1bha h GLY 31 CO 0.06 0.32 0.48 -0.33 0.00 0.00 0.00 176.54 177.08 1bha h MET 32 N 1.01 1.05 0.00 4.80 2.86 -1.34 -3.45 114.93 119.85 1bha h MET 32 Ca 0.33 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1bha h MET 32 Cb 0.04 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.47 1bha h MET 32 CO -0.12 0.73 0.00 0.41 1.06 0.00 0.00 176.91 178.98 1bha n GLY 33 N -1.23 -1.18 2.08 8.32 0.00 -0.78 -5.15 105.19 107.25 1bha n GLY 33 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1bha n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1bha n VAL 34 N 0.00 0.00 -0.01 1.61 3.14 -0.72 -4.98 118.33 117.38 1bha n VAL 34 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1bha n VAL 34 Cb 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 32.64 1bha n VAL 34 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1bha h PRO 37 N 0.00 0.01 -0.16 1.45 0.13 -2.05 -3.48 132.00 127.89 1bha h PRO 37 Ca 0.00 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.00 1bha h PRO 37 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1bha h PRO 37 CO 0.00 0.58 -0.38 0.22 -0.23 0.00 0.00 178.00 178.18 1bha h ASP 38 N 0.00 0.37 0.03 1.44 1.82 -2.05 -0.08 116.42 117.95 1bha h ASP 38 Ca -0.25 -0.15 -0.17 0.00 -0.39 0.00 0.00 57.03 56.07 1bha h ASP 38 Cb 1.98 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.89 1bha h ASP 38 CO 0.09 0.72 -0.58 0.00 -1.61 0.00 0.00 179.24 177.86 1bha h ALA 39 N 1.30 0.66 -0.36 -0.78 0.00 -2.05 -0.02 119.26 118.01 1bha h ALA 39 Ca 0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1bha h ALA 39 Cb 0.81 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1bha h ALA 39 CO 0.07 0.70 -0.37 0.87 0.00 0.00 0.00 179.25 180.52 1bha h LYS 40 N 0.43 0.84 -0.33 0.00 1.57 -1.91 -0.12 116.57 117.05 1bha h LYS 40 Ca 0.00 -0.42 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1bha h LYS 40 Cb 1.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1bha h LYS 40 CO 0.11 1.06 -0.10 0.87 -0.57 0.00 0.00 179.45 180.82 1bha h LYS 41 N 0.69 0.65 -0.66 3.15 1.57 -0.88 -0.36 116.57 120.73 1bha h LYS 41 Ca 0.06 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 1bha h LYS 41 Cb 0.93 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 1bha h LYS 41 CO 0.09 0.84 0.30 0.35 -0.57 0.00 0.00 179.45 180.45 1bha h PHE 42 N 0.43 0.98 -0.58 -1.35 3.57 -0.88 -0.69 116.94 118.42 1bha h PHE 42 Ca 0.08 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.43 1bha h PHE 42 Cb 0.61 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 1bha h PHE 42 CO 0.05 0.75 0.00 -0.92 -2.23 0.00 0.00 178.31 175.96 1bha h TYR 43 N 0.93 1.11 -0.37 0.41 3.20 -0.89 -0.25 116.97 121.11 1bha h TYR 43 Ca 0.23 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1bha h TYR 43 Cb 0.15 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 1bha h TYR 43 CO 0.01 0.99 0.18 0.00 -1.64 0.00 0.00 178.16 177.70 1bha h ALA 44 N 0.98 0.47 -0.70 1.82 0.00 -0.75 0.16 119.26 121.23 1bha h ALA 44 Ca 0.17 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1bha h ALA 44 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1bha h ALA 44 CO 0.03 0.03 0.28 0.82 0.00 0.00 0.00 179.25 180.41 1bha h ILE 45 N 0.45 1.24 0.00 0.00 1.08 -0.96 0.24 117.51 119.56 1bha h ILE 45 Ca 0.13 -0.74 -0.06 0.00 -0.39 0.00 0.00 64.86 63.80 1bha h ILE 45 Cb 0.11 0.40 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 1bha h ILE 45 CO -0.02 0.30 -0.27 0.74 -0.69 0.00 0.00 178.15 178.21 1bha h THR 46 N 1.01 0.81 -0.00 -0.27 2.02 -0.45 -1.04 112.91 114.98 1bha h THR 46 Ca 0.24 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1bha h THR 46 Cb 0.18 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1bha h THR 46 CO -0.02 0.27 -0.48 0.41 0.37 0.00 0.00 175.52 176.06 1bha n THR 47 N -3.65 0.00 0.87 3.16 -1.04 0.50 -3.64 114.28 110.48 1bha n THR 47 Ca -0.01 -0.06 0.09 0.00 -2.04 0.00 0.00 64.05 62.03 1bha n THR 47 Cb 0.40 0.48 -0.05 0.00 -1.82 0.00 0.00 70.33 69.34 1bha n THR 47 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1bha n LEU 48 N -1.10 1.38 -0.00 -4.42 7.94 0.71 -4.13 117.00 117.38 1bha n LEU 48 Ca 0.08 -0.63 -0.12 0.00 -1.11 0.00 0.00 56.01 54.22 1bha n LEU 48 Cb 0.35 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.22 1bha n LEU 48 CO 0.33 0.29 0.76 0.58 -1.11 0.00 0.00 177.39 178.23 1bha h VAL 49 N 1.11 1.20 0.00 1.96 2.07 -1.29 -1.87 116.25 119.43 1bha h VAL 49 Ca 0.00 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1bha h VAL 49 Cb 0.55 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1bha h VAL 49 CO 0.00 0.16 0.00 1.55 0.02 0.00 0.00 177.57 179.30 1bha h PRO 50 N -0.17 0.00 -0.22 1.57 0.13 -1.74 -2.18 132.00 129.40 1bha h PRO 50 Ca 0.01 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 1bha h PRO 50 Cb 0.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.38 1bha h PRO 50 CO 0.00 0.00 -0.31 0.00 -0.23 0.00 0.00 178.00 177.46 1bha h ALA 51 N 2.17 0.33 -0.07 -0.56 0.00 -1.04 -0.07 119.26 120.01 1bha h ALA 51 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.28 1bha h ALA 51 Cb 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1bha h ALA 51 CO 0.00 0.36 -0.85 0.82 0.00 0.00 0.00 179.25 179.58 1bha h ILE 52 N 0.28 1.33 -0.68 0.00 5.03 -1.26 -1.54 117.51 120.66 1bha h ILE 52 Ca 0.02 -2.16 -0.01 0.00 -0.12 0.00 0.00 64.86 62.59 1bha h ILE 52 Cb 0.89 2.18 -0.03 0.00 -3.03 0.00 0.00 36.82 36.82 1bha h ILE 52 CO 0.07 0.66 0.39 0.00 -0.68 0.00 0.00 178.15 178.60 1bha h ALA 53 N 0.66 0.87 -0.42 1.87 0.00 -1.36 -0.23 119.26 120.66 1bha h ALA 53 Ca -0.07 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1bha h ALA 53 Cb 1.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1bha h ALA 53 CO 0.16 0.37 -0.19 0.35 0.00 0.00 0.00 179.25 179.95 1bha h PHE 54 N 0.93 0.99 -0.83 0.00 3.57 -0.96 -0.97 116.94 119.67 1bha h PHE 54 Ca 0.24 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1bha h PHE 54 Cb 0.01 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 1bha h PHE 54 CO -0.01 1.01 0.55 1.15 -2.23 0.00 0.00 178.31 178.78 1bha h THR 55 N 0.68 1.20 -0.36 4.41 2.02 -0.85 0.38 112.91 120.39 1bha h THR 55 Ca 0.10 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.76 1bha h THR 55 Cb 0.75 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1bha h THR 55 CO 0.06 0.20 -0.30 0.24 0.37 0.00 0.00 175.52 176.09 1bha h MET 56 N 1.11 0.84 -0.14 6.66 2.86 -0.93 0.64 114.93 125.96 1bha h MET 56 Ca 0.31 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1bha h MET 56 Cb -0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 1bha h MET 56 CO -0.07 1.06 -0.10 -0.92 1.06 0.00 0.00 176.91 177.93 1bha h TYR 57 N 0.63 0.21 0.09 -0.22 3.20 -0.69 -1.06 116.97 119.14 1bha h TYR 57 Ca 0.06 -0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.65 1bha h TYR 57 Cb 0.88 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1bha h TYR 57 CO 0.06 0.32 -1.29 1.25 -1.64 0.00 0.00 178.16 176.87 1bha h LEU 58 N 0.20 0.30 0.00 2.82 7.12 -0.77 0.13 115.31 125.11 1bha h LEU 58 Ca 0.04 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 57.71 1bha h LEU 58 Cb 0.31 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 1bha h LEU 58 CO 0.02 1.28 0.00 -0.24 -0.13 0.00 0.00 178.44 179.37 1bha n SER 59 N -3.44 0.00 -0.06 1.25 2.88 0.20 -2.48 113.62 111.96 1bha n SER 59 Ca -0.09 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.64 1bha n SER 59 Cb 1.01 -0.41 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.41 0.30 0.17 -1.46 0.00 -0.46 -2.10 117.12 112.16 1bha n MET 60 Ca 0.07 0.09 -0.08 0.00 -0.00 0.00 0.00 57.70 57.77 1bha n MET 60 Cb 0.20 -1.15 -0.04 0.00 0.00 0.00 0.00 33.22 32.23 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 -0.18 -0.57 -0.12 -0.89 5.85 -0.74 -3.21 115.31 115.46 1bha h LEU 61 Ca -0.30 0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.22 1bha h LEU 61 Cb 1.38 0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.59 1bha h LEU 61 CO -0.10 -0.32 -0.89 0.25 -0.34 0.00 0.00 178.44 177.04 1bha h LEU 62 N -0.50 0.86 -1.50 2.25 5.85 -1.72 -3.49 115.31 117.05 1bha h LEU 62 Ca -0.04 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1bha h LEU 62 Cb 0.41 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1bha h LEU 62 CO 0.02 1.41 0.00 0.61 -0.34 0.00 0.00 178.44 180.15 1bha n GLY 63 N 0.86 -1.05 0.01 3.75 0.00 -1.21 -5.02 105.19 102.52 1bha n GLY 63 Ca -0.08 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.08 0.00 0.00 1.61 4.01 -0.89 -4.62 117.16 117.19 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 1.15 -0.01 0.13 2.72 0.00 -1.23 -4.84 105.19 103.12 1bha n GLY 65 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.14 0.09 0.99 6.46 -1.82 -3.02 115.31 118.16 1bha h LEU 66 Ca 0.00 0.02 -0.32 0.00 -0.12 0.00 0.00 57.88 57.47 1bha h LEU 66 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1bha h LEU 66 CO 0.00 0.12 -1.67 0.74 -0.62 0.00 0.00 178.44 177.00 1bha h THR 67 N 0.24 0.97 -1.52 1.05 2.02 -1.81 -3.40 112.91 110.45 1bha h THR 67 Ca 0.12 -2.68 -0.72 0.00 0.77 0.00 0.00 66.41 63.90 1bha h THR 67 Cb 0.07 2.63 -0.14 0.00 -1.74 0.00 0.00 68.15 68.97 1bha h THR 67 CO -0.11 0.77 1.83 0.23 0.37 0.00 0.00 175.52 178.61 1bha n MET 68 N -3.37 3.32 -3.62 6.66 2.81 -1.14 -4.98 117.12 116.80 1bha n MET 68 Ca -0.20 -3.55 -0.29 0.00 -1.81 0.00 0.00 57.70 51.85 1bha n MET 68 Cb 1.04 -3.17 -0.04 0.00 -0.71 0.00 0.00 33.22 30.34 1bha n MET 68 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1bha s VAL 69 N 2.27 5.16 -2.00 2.03 -7.23 -1.24 -4.40 120.40 114.98 1bha s VAL 69 Ca 0.46 -0.14 0.24 0.00 -1.81 0.00 0.00 61.98 60.73 1bha s VAL 69 Cb 0.02 -3.69 0.68 0.00 0.56 0.00 0.00 36.38 33.95 1bha s VAL 69 CO 0.02 -0.12 1.80 -0.81 -0.31 0.00 0.00 175.10 175.68