#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 0.58 -5.26 0.00 4.20 -1.98 -3.41 115.11 109.25 1bha h GLN 3 Ca 0.00 -0.21 -0.62 0.00 0.06 0.00 0.00 58.65 57.88 1bha h GLN 3 Cb 0.00 -0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.61 1bha h GLN 3 CO 0.00 0.75 -0.21 0.42 -0.67 0.00 0.00 178.83 179.12 1bha s ILE 4 N -4.86 5.18 -0.07 2.54 -1.09 -1.26 -4.91 121.20 116.74 1bha s ILE 4 Ca -0.13 0.64 0.10 0.00 -2.23 0.00 0.00 60.65 59.03 1bha s ILE 4 Cb 0.09 -3.72 0.18 0.00 -1.58 0.00 0.00 42.46 37.43 1bha s ILE 4 CO 0.78 0.18 1.09 1.07 -1.23 0.00 0.00 174.94 176.83 1bha n THR 5 N 4.85 0.89 0.01 2.92 5.66 -1.26 -4.83 114.28 122.52 1bha n THR 5 Ca -0.08 -1.21 -0.12 0.00 -3.05 0.00 0.00 64.05 59.60 1bha n THR 5 Cb 0.51 0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.16 0.07 -1.67 1.09 0.00 -1.98 -3.44 103.07 97.30 1bha h GLY 6 Ca -0.02 -0.03 -0.54 0.00 0.00 0.00 0.00 47.33 46.74 1bha h GLY 6 CO 0.01 0.03 0.36 1.09 0.00 0.00 0.00 176.54 178.03 1bha s ARG 7 N -6.01 1.81 0.00 4.80 1.70 -1.26 -4.91 118.95 115.08 1bha s ARG 7 Ca -0.13 1.77 0.27 0.00 -0.47 0.00 0.00 55.73 57.18 1bha s ARG 7 Cb 0.06 -1.79 1.04 0.00 -0.57 0.00 0.00 34.95 33.69 1bha s ARG 7 CO 0.67 -2.09 1.74 -0.35 -1.08 0.00 0.00 175.30 174.19 1bha n PRO 8 N -3.09 1.66 0.04 3.89 -0.04 -1.26 -3.88 135.00 132.32 1bha n PRO 8 Ca 0.14 -0.96 -0.05 0.00 -0.04 0.00 0.00 63.50 62.58 1bha n PRO 8 Cb 0.50 -1.47 0.15 0.00 -0.04 0.00 0.00 33.50 32.64 1bha n PRO 8 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bha h GLU 9 N 2.31 0.41 -0.04 0.54 4.81 -1.94 0.71 114.58 121.38 1bha h GLU 9 Ca 0.00 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 1bha h GLU 9 Cb 0.49 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1bha h GLU 9 CO 0.00 0.77 -0.72 2.35 -0.73 0.00 0.00 179.01 180.68 1bha h TRP 10 N 0.34 0.31 -0.23 0.92 7.01 -1.92 -0.29 115.95 122.09 1bha h TRP 10 Ca 0.03 -0.14 -0.17 0.00 2.11 0.00 0.00 58.89 60.72 1bha h TRP 10 Cb 0.89 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.90 1bha h TRP 10 CO 0.03 0.87 -0.55 0.82 -2.79 0.00 0.00 178.44 176.81 1bha h ILE 11 N 0.15 1.30 -0.26 2.65 1.08 -1.65 0.47 117.51 121.25 1bha h ILE 11 Ca -0.02 -1.78 -0.15 0.00 -0.39 0.00 0.00 64.86 62.53 1bha h ILE 11 Cb 1.28 1.72 -0.01 0.00 -3.07 0.00 0.00 36.82 36.74 1bha h ILE 11 CO 0.11 0.56 -0.43 -0.25 -0.69 0.00 0.00 178.15 177.45 1bha h TRP 12 N 0.53 0.78 -0.39 1.37 2.91 -0.73 0.17 115.95 120.59 1bha h TRP 12 Ca 0.01 -0.24 -0.07 0.00 1.13 0.00 0.00 58.89 59.72 1bha h TRP 12 Cb 1.12 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 29.60 1bha h TRP 12 CO 0.06 0.97 -0.01 1.25 -1.03 0.00 0.00 178.44 179.67 1bha h LEU 13 N 0.53 0.69 -0.82 0.65 6.46 -0.85 0.70 115.31 122.67 1bha h LEU 13 Ca 0.04 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.41 1bha h LEU 13 Cb 0.97 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1bha h LEU 13 CO 0.09 0.84 0.12 0.00 -0.62 0.00 0.00 178.44 178.87 1bha h ALA 14 N 0.88 1.03 -0.64 1.25 0.00 -0.73 -0.01 119.26 121.03 1bha h ALA 14 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1bha h ALA 14 Cb 0.49 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1bha h ALA 14 CO 0.02 0.62 0.11 1.25 0.00 0.00 0.00 179.25 181.26 1bha h LEU 15 N 0.95 1.02 -0.52 0.00 6.46 -0.67 0.17 115.31 122.71 1bha h LEU 15 Ca 0.19 -0.26 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1bha h LEU 15 Cb 0.38 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 1bha h LEU 15 CO 0.01 1.01 0.10 1.23 -0.62 0.00 0.00 178.44 180.17 1bha h GLY 16 N 0.98 0.92 1.36 3.75 0.00 -0.35 0.84 103.07 110.56 1bha h GLY 16 Ca 0.20 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.83 1bha h GLY 16 CO 0.01 0.56 -0.09 -0.84 0.00 0.00 0.00 176.54 176.18 1bha h THR 17 N 0.74 1.25 -0.29 4.70 2.02 -0.76 -0.23 112.91 120.34 1bha h THR 17 Ca 0.16 -1.13 -0.15 0.00 0.77 0.00 0.00 66.41 66.06 1bha h THR 17 Cb 0.38 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1bha h THR 17 CO 0.01 0.39 -0.42 0.00 0.37 0.00 0.00 175.52 175.87 1bha h ALA 18 N 1.20 0.72 -0.29 6.16 0.00 -0.69 -0.00 119.26 126.36 1bha h ALA 18 Ca 0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1bha h ALA 18 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1bha h ALA 18 CO 0.03 0.66 0.03 1.25 0.00 0.00 0.00 179.25 181.23 1bha h LEU 19 N 0.58 0.48 -0.58 0.00 6.46 -0.47 0.15 115.31 121.93 1bha h LEU 19 Ca 0.04 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.48 1bha h LEU 19 Cb 0.96 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1bha h LEU 19 CO 0.09 0.63 0.16 0.24 -0.62 0.00 0.00 178.44 178.94 1bha h MET 20 N 0.30 0.91 -0.73 1.25 2.86 -0.94 -0.23 114.93 118.36 1bha h MET 20 Ca 0.09 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1bha h MET 20 Cb 0.37 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1bha h MET 20 CO 0.01 0.83 0.23 0.78 1.06 0.00 0.00 176.91 179.82 1bha h GLY 21 N 0.83 1.22 1.11 8.32 0.00 -0.84 -0.20 103.07 113.49 1bha h GLY 21 Ca 0.18 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.68 1bha h GLY 21 CO -0.00 0.67 -0.15 -2.00 0.00 0.00 0.00 176.54 175.05 1bha h LEU 22 N 1.09 1.04 -0.55 3.11 5.85 -0.70 -0.31 115.31 124.84 1bha h LEU 22 Ca 0.24 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1bha h LEU 22 Cb 0.30 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1bha h LEU 22 CO -0.01 1.17 0.20 1.23 -0.34 0.00 0.00 178.44 180.69 1bha h GLY 23 N 0.91 0.90 1.11 3.75 0.00 -0.64 0.30 103.07 109.41 1bha h GLY 23 Ca 0.13 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1bha h GLY 23 CO 0.06 0.48 -0.12 -0.84 0.00 0.00 0.00 176.54 176.12 1bha h THR 24 N 0.76 1.27 -0.34 4.70 2.02 -0.89 -0.44 112.91 119.98 1bha h THR 24 Ca 0.18 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 1bha h THR 24 Cb 0.24 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1bha h THR 24 CO -0.01 0.45 0.14 0.25 0.37 0.00 0.00 175.52 176.73 1bha h LEU 25 N 0.91 0.47 -1.03 2.58 5.85 -0.79 -0.68 115.31 122.62 1bha h LEU 25 Ca 0.14 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1bha h LEU 25 Cb 0.69 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1bha h LEU 25 CO 0.05 0.49 0.15 0.22 -0.34 0.00 0.00 178.44 179.01 1bha h TYR 26 N 0.41 0.87 -0.23 1.25 3.20 -0.79 -0.16 116.97 121.53 1bha h TYR 26 Ca 0.12 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 1bha h TYR 26 Cb 0.17 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1bha h TYR 26 CO -0.01 0.72 -0.23 0.35 -1.64 0.00 0.00 178.16 177.35 1bha h PHE 27 N 0.82 0.46 -0.09 -3.82 3.57 -0.67 0.29 116.94 117.50 1bha h PHE 27 Ca 0.18 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.41 1bha h PHE 27 Cb 0.28 -0.12 0.01 0.00 2.79 0.00 0.00 35.95 38.91 1bha h PHE 27 CO 0.02 0.62 -0.64 -0.07 -2.23 0.00 0.00 178.31 176.00 1bha h LEU 28 N 0.37 0.73 -0.46 0.59 3.38 -0.55 0.28 115.31 119.65 1bha h LEU 28 Ca 0.06 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 1bha h LEU 28 Cb 0.61 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1bha h LEU 28 CO 0.04 1.28 0.23 0.58 0.09 0.00 0.00 178.44 180.66 1bha h VAL 29 N 0.24 1.18 0.00 1.22 2.07 -0.82 -0.61 116.25 119.52 1bha h VAL 29 Ca -0.05 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 1bha h VAL 29 Cb 1.29 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1bha h VAL 29 CO 0.13 0.20 -0.53 0.11 0.02 0.00 0.00 177.57 177.50 1bha h LYS 30 N 0.61 0.00 0.69 1.57 1.79 -0.95 -0.45 116.57 119.84 1bha h LYS 30 Ca 0.16 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1bha h LYS 30 Cb 0.10 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1bha h LYS 30 CO -0.02 0.53 -0.33 0.78 -1.08 0.00 0.00 179.45 179.32 1bha h GLY 31 N 2.08 -0.97 2.00 3.86 0.00 0.38 -0.61 103.07 109.81 1bha h GLY 31 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1bha h GLY 31 CO 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 176.54 176.26 1bha h MET 32 N -1.04 0.00 -0.00 4.80 -0.00 -1.21 -2.15 114.93 115.33 1bha h MET 32 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1bha h MET 32 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.31 1bha h MET 32 CO 0.16 0.00 -0.13 0.41 -0.00 0.00 0.00 176.91 177.35 1bha n GLY 33 N 0.15 -1.11 1.85 -3.00 0.00 -0.18 -5.10 105.19 97.80 1bha n GLY 33 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.15 -5.77 0.08 1.61 0.31 -0.25 -4.99 118.33 108.17 1bha n VAL 34 Ca 0.12 2.66 -0.14 0.00 -0.01 0.00 0.00 64.34 66.97 1bha n VAL 34 Cb 0.29 -3.53 -0.14 0.00 -0.91 0.00 0.00 33.84 29.55 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 2.55 0.20 -0.12 5.55 0.13 -2.05 -3.49 132.00 134.77 1bha h PRO 37 Ca 0.00 -0.34 -0.13 0.00 -0.87 0.00 0.00 66.00 64.66 1bha h PRO 37 Cb 0.00 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1bha h PRO 37 CO 0.00 1.10 -0.48 0.22 -0.23 0.00 0.00 178.00 178.61 1bha h ASP 38 N 0.05 0.33 -0.25 1.44 3.58 -2.05 -0.01 116.42 119.52 1bha h ASP 38 Ca -0.16 -0.16 -0.18 0.00 0.42 0.00 0.00 57.03 56.95 1bha h ASP 38 Cb 1.95 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.91 1bha h ASP 38 CO 0.17 0.76 -0.54 0.00 -2.88 0.00 0.00 179.24 176.75 1bha h ALA 39 N 1.25 0.50 -0.28 -0.78 0.00 -2.05 -0.29 119.26 117.62 1bha h ALA 39 Ca 0.01 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1bha h ALA 39 Cb 0.94 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1bha h ALA 39 CO 0.08 0.68 -0.34 0.87 0.00 0.00 0.00 179.25 180.55 1bha h LYS 40 N 0.65 0.61 -0.21 0.00 1.79 -1.94 -0.32 116.57 117.15 1bha h LYS 40 Ca 0.02 -0.28 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 1bha h LYS 40 Cb 1.14 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1bha h LYS 40 CO 0.12 0.86 -0.05 -0.22 -1.08 0.00 0.00 179.45 179.07 1bha h LYS 41 N 0.51 0.40 -0.83 3.15 1.63 -0.85 -0.35 116.57 120.24 1bha h LYS 41 Ca 0.06 -0.16 -0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1bha h LYS 41 Cb 0.83 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.40 1bha h LYS 41 CO 0.07 0.65 0.37 0.35 -3.45 0.00 0.00 179.45 177.45 1bha h PHE 42 N 0.13 1.21 -0.52 1.91 3.57 -0.90 -1.09 116.94 121.25 1bha h PHE 42 Ca 0.05 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.37 1bha h PHE 42 Cb 0.51 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1bha h PHE 42 CO 0.05 0.89 -0.11 -0.92 -2.23 0.00 0.00 178.31 175.99 1bha h TYR 43 N 1.18 1.09 -0.32 0.41 3.20 -0.93 -0.15 116.97 121.45 1bha h TYR 43 Ca 0.28 -0.22 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1bha h TYR 43 Cb 0.15 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1bha h TYR 43 CO 0.02 1.02 0.13 0.00 -1.64 0.00 0.00 178.16 177.69 1bha h ALA 44 N 0.99 0.42 -0.68 1.82 0.00 -0.66 0.11 119.26 121.25 1bha h ALA 44 Ca 0.14 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1bha h ALA 44 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1bha h ALA 44 CO 0.05 0.01 0.31 0.82 0.00 0.00 0.00 179.25 180.44 1bha h ILE 45 N 0.37 1.23 0.00 0.00 2.04 -1.05 0.22 117.51 120.32 1bha h ILE 45 Ca 0.11 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 1bha h ILE 45 Cb 0.17 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1bha h ILE 45 CO -0.01 0.28 -0.18 0.74 0.00 0.00 0.00 178.15 178.97 1bha h THR 46 N 0.95 0.81 0.00 -0.27 2.02 -0.64 -0.06 112.91 115.73 1bha h THR 46 Ca 0.23 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1bha h THR 46 Cb 0.14 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1bha h THR 46 CO -0.03 0.18 -0.64 0.74 0.37 0.00 0.00 175.52 176.14 1bha h THR 47 N 0.00 0.00 -0.58 3.16 2.02 0.33 -3.24 112.91 114.61 1bha h THR 47 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1bha h THR 47 Cb 0.41 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 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 -2.32 3.61 0.01 2.58 4.77 0.66 -4.46 117.00 121.85 1bha n LEU 48 Ca 0.03 -2.04 -0.11 0.00 -0.03 0.00 0.00 56.01 53.85 1bha n LEU 48 Cb 0.47 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 1bha n LEU 48 CO 0.37 0.88 0.88 0.58 -1.33 0.00 0.00 177.39 178.76 1bha h VAL 49 N 3.39 1.05 0.00 4.08 2.07 -1.08 0.15 116.25 125.90 1bha h VAL 49 Ca 0.00 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1bha h VAL 49 Cb 0.92 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 1bha h VAL 49 CO 0.02 0.05 -0.28 1.55 0.02 0.00 0.00 177.57 178.92 1bha h PRO 50 N 0.06 0.00 -0.31 1.57 0.13 -0.20 -1.69 132.00 131.57 1bha h PRO 50 Ca 0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1bha h PRO 50 Cb 0.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.17 1bha h PRO 50 CO -0.00 0.28 -0.44 0.00 -0.23 0.00 0.00 178.00 177.61 1bha h ALA 51 N 1.72 0.47 -0.12 -0.56 0.00 0.63 -0.06 119.26 121.34 1bha h ALA 51 Ca -0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 54.21 1bha h ALA 51 Cb 0.96 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1bha h ALA 51 CO 0.04 0.61 -0.80 0.82 0.00 0.00 0.00 179.25 179.91 1bha h ILE 52 N 0.62 1.30 -0.71 0.00 1.08 -0.65 -1.37 117.51 117.78 1bha h ILE 52 Ca 0.03 -2.06 -0.02 0.00 -0.39 0.00 0.00 64.86 62.42 1bha h ILE 52 Cb 1.04 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 36.82 1bha h ILE 52 CO 0.10 0.64 0.35 0.00 -0.69 0.00 0.00 178.15 178.56 1bha h ALA 53 N 0.63 0.91 -0.46 1.87 0.00 -1.24 -0.28 119.26 120.69 1bha h ALA 53 Ca -0.06 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1bha h ALA 53 Cb 1.43 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1bha h ALA 53 CO 0.16 0.46 -0.24 0.35 0.00 0.00 0.00 179.25 179.98 1bha h PHE 54 N 0.98 1.10 -0.60 0.00 3.57 -0.95 -0.77 116.94 120.27 1bha h PHE 54 Ca 0.24 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1bha h PHE 54 Cb 0.10 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 1bha h PHE 54 CO 0.00 1.09 0.30 1.15 -2.23 0.00 0.00 178.31 178.62 1bha h THR 55 N 0.82 1.21 -0.32 4.41 2.02 -0.82 0.78 112.91 121.01 1bha h THR 55 Ca 0.10 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1bha h THR 55 Cb 0.82 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1bha h THR 55 CO 0.07 0.24 -0.13 0.24 0.37 0.00 0.00 175.52 176.31 1bha h MET 56 N 0.82 0.65 -0.54 6.66 2.86 -0.95 0.52 114.93 124.96 1bha h MET 56 Ca 0.21 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 1bha h MET 56 Cb 0.11 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 1bha h MET 56 CO -0.03 0.86 0.20 -0.92 1.06 0.00 0.00 176.91 178.08 1bha h TYR 57 N 0.42 0.80 -0.03 -0.22 3.20 -0.89 -0.89 116.97 119.36 1bha h TYR 57 Ca 0.07 -0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.70 1bha h TYR 57 Cb 0.65 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 1bha h TYR 57 CO 0.06 0.63 -0.84 1.25 -1.64 0.00 0.00 178.16 177.62 1bha h LEU 58 N 0.78 0.45 0.00 2.82 5.85 -0.71 0.17 115.31 124.67 1bha h LEU 58 Ca 0.18 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1bha h LEU 58 Cb 0.18 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1bha h LEU 58 CO -0.01 1.10 0.00 -0.24 -0.34 0.00 0.00 178.44 178.95 1bha n SER 59 N -3.76 0.00 -0.08 1.25 2.88 0.16 -2.44 113.62 111.62 1bha n SER 59 Ca -0.05 0.12 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1bha n SER 59 Cb 0.77 -0.34 -0.07 0.00 -0.75 0.00 0.00 64.21 63.82 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 0.41 0.28 -1.46 0.00 -0.40 -1.00 117.12 113.61 1bha n MET 60 Ca 0.09 0.11 -0.11 0.00 -0.00 0.00 0.00 57.70 57.78 1bha n MET 60 Cb 0.19 -1.30 -0.05 0.00 0.00 0.00 0.00 33.22 32.06 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 -0.10 -0.61 -0.34 -0.89 7.12 -0.65 -3.23 115.31 116.62 1bha h LEU 61 Ca -0.38 0.02 -0.19 0.00 0.13 0.00 0.00 57.88 57.45 1bha h LEU 61 Cb 1.55 0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 41.83 1bha h LEU 61 CO -0.09 -0.42 -0.79 -0.07 -0.13 0.00 0.00 178.44 176.94 1bha h LEU 62 N -0.75 0.46 -1.79 2.25 3.38 -1.73 -3.39 115.31 113.75 1bha h LEU 62 Ca -0.07 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1bha h LEU 62 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1bha h LEU 62 CO 0.12 1.08 0.00 0.61 0.09 0.00 0.00 178.44 180.34 1bha n GLY 63 N 0.67 -1.72 0.48 0.83 0.00 -1.21 -4.47 105.19 99.77 1bha n GLY 63 Ca -0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.20 0.00 0.00 1.61 4.01 -0.17 -4.46 117.16 118.36 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 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 0.12 0.22 2.72 0.00 -1.02 -4.90 105.19 102.33 1bha n GLY 65 Ca 0.00 0.00 -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 1.41 0.00 0.00 0.00 173.32 174.73 1bha h LEU 66 N 0.00 -0.42 0.08 0.99 -0.00 -1.77 -3.22 115.31 110.97 1bha h LEU 66 Ca 0.00 0.01 -0.15 0.00 -0.00 0.00 0.00 57.88 57.74 1bha h LEU 66 Cb 0.00 0.11 0.02 0.00 -0.00 0.00 0.00 40.66 40.79 1bha h LEU 66 CO 0.00 -0.08 -0.64 0.74 -0.00 0.00 0.00 178.44 178.46 1bha h THR 67 N -0.94 1.52 -3.54 0.22 2.02 -1.80 -3.38 112.91 107.01 1bha h THR 67 Ca -0.05 -2.36 -0.79 0.00 0.77 0.00 0.00 66.41 63.98 1bha h THR 67 Cb 0.38 3.04 -0.29 0.00 -1.74 0.00 0.00 68.15 69.54 1bha h THR 67 CO 0.08 0.66 0.41 -0.04 0.37 0.00 0.00 175.52 177.01 1bha s MET 68 N -2.66 4.14 0.09 6.66 -1.94 -1.26 -4.85 119.30 119.47 1bha s MET 68 Ca -0.14 -3.24 -0.22 0.00 -1.71 0.00 0.00 55.69 50.38 1bha s MET 68 Cb 0.01 -4.51 -0.12 0.00 2.01 0.00 0.00 34.83 32.22 1bha s MET 68 CO 0.81 -1.24 1.71 0.28 -0.01 0.00 0.00 175.02 176.57 1bha h VAL 69 N 3.68 1.06 0.00 -6.03 2.07 -1.75 -2.70 116.25 112.58 1bha h VAL 69 Ca 0.18 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1bha h VAL 69 Cb 0.87 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1bha h VAL 69 CO 1.00 0.05 0.00 -0.81 0.02 0.00 0.00 177.57 177.83