#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 h SER 4 N 0.00 0.29 -0.08 -3.46 0.87 -2.05 0.43 113.55 109.55 2dd4 h SER 4 Ca 0.00 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.43 2dd4 h SER 4 Cb 0.00 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2dd4 h SER 4 CO 0.00 0.57 -0.10 0.40 -0.53 0.00 0.00 176.83 177.17 2dd4 h ILE 5 N 0.26 1.38 -0.79 2.23 1.08 -2.05 -2.23 117.51 117.38 2dd4 h ILE 5 Ca 0.04 -1.29 -0.00 0.00 -0.39 0.00 0.00 64.86 63.21 2dd4 h ILE 5 Cb 0.63 2.05 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 2dd4 h ILE 5 CO 0.05 0.36 0.48 0.03 -0.69 0.00 0.00 178.15 178.37 2dd4 h ARG 6 N -0.22 1.07 -0.58 2.37 2.47 -1.87 0.13 114.38 117.74 2dd4 h ARG 6 Ca 0.01 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 58.57 2dd4 h ARG 6 Cb 0.63 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 2dd4 h ARG 6 CO 0.02 0.75 0.08 0.93 0.56 0.00 0.00 179.97 182.32 2dd4 h GLU 7 N 1.09 0.95 -0.17 0.04 5.08 -0.11 -0.16 114.58 121.29 2dd4 h GLU 7 Ca 0.28 -0.24 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 2dd4 h GLU 7 Cb -0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2dd4 h GLU 7 CO -0.05 0.89 -0.49 1.49 -1.00 0.00 0.00 179.01 179.85 2dd4 h GLU 8 N 0.89 0.45 -0.07 2.33 4.81 -0.67 -1.01 114.58 121.30 2dd4 h GLU 8 Ca 0.18 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2dd4 h GLU 8 Cb 0.41 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2dd4 h GLU 8 CO 0.01 0.84 0.04 0.28 -0.73 0.00 0.00 179.01 179.44 2dd4 h VAL 9 N 0.36 1.11 -0.43 0.32 2.07 -0.22 -1.32 116.25 118.14 2dd4 h VAL 9 Ca 0.02 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 2dd4 h VAL 9 Cb 0.99 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 2dd4 h VAL 9 CO 0.09 0.10 -0.08 0.45 0.02 0.00 0.00 177.57 178.14 2dd4 h HIS 10 N -0.00 0.80 -0.76 1.57 3.86 -0.94 -1.13 115.15 118.54 2dd4 h HIS 10 Ca 0.03 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 2dd4 h HIS 10 Cb 0.12 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 2dd4 h HIS 10 CO -0.03 0.79 0.31 0.00 0.86 0.00 0.00 177.93 179.86 2dd4 h ARG 11 N 0.68 1.12 -0.24 2.45 3.08 -1.03 -2.29 114.38 118.15 2dd4 h ARG 11 Ca 0.12 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2dd4 h ARG 11 Cb 0.53 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 2dd4 h ARG 11 CO 0.03 0.90 0.08 1.25 -1.07 0.00 0.00 179.97 181.17 2dd4 h HIS 12 N 1.10 0.38 -0.57 3.04 2.76 -0.68 0.12 115.15 121.30 2dd4 h HIS 12 Ca 0.26 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 2dd4 h HIS 12 Cb 0.19 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 29.01 2dd4 h HIS 12 CO 0.02 0.42 0.38 -0.07 -1.30 0.00 0.00 177.93 177.38 2dd4 h LEU 13 N 0.23 0.57 0.13 0.26 3.38 -0.98 -1.62 115.31 117.27 2dd4 h LEU 13 Ca 0.08 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.76 2dd4 h LEU 13 Cb 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2dd4 h LEU 13 CO -0.00 0.39 -1.29 1.23 0.09 0.00 0.00 178.44 178.86 2dd4 h GLY 14 N 0.66 0.31 1.02 0.83 0.00 -1.17 -3.36 103.07 101.35 2dd4 h GLY 14 Ca 0.23 -0.79 -0.07 0.00 0.00 0.00 0.00 47.33 46.70 2dd4 h GLY 14 CO -0.06 0.69 0.05 -0.84 0.00 0.00 0.00 176.54 176.37 2dd4 h THR 15 N 0.07 1.26 0.00 4.70 2.02 -0.06 -3.05 112.91 117.85 2dd4 h THR 15 Ca -0.15 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.00 2dd4 h THR 15 Cb 1.98 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.27 2dd4 h THR 15 CO 0.20 0.37 0.00 -0.37 0.37 0.00 0.00 175.52 176.09 2dd4 h VAL 16 N 0.79 0.00 0.00 3.16 -1.51 -1.47 -1.28 116.25 115.94 2dd4 h VAL 16 Ca 0.16 -0.08 -0.05 0.00 -1.23 0.00 0.00 66.70 65.50 2dd4 h VAL 16 Cb 0.47 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.46 2dd4 h VAL 16 CO 0.02 0.00 -0.25 0.00 -1.23 0.00 0.00 177.57 176.11 2dd4 h ALA 17 N 2.03 1.55 0.00 5.19 0.00 -1.71 -1.51 119.26 124.80 2dd4 h ALA 17 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2dd4 h ALA 17 Cb 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dd4 h ALA 17 CO 0.00 0.31 -0.13 -0.07 0.00 0.00 0.00 179.25 179.36 2dd4 h LEU 18 N 0.00 0.00 -1.63 0.00 3.38 -1.41 -2.44 115.31 113.20 2dd4 h LEU 18 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dd4 h LEU 18 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2dd4 h LEU 18 CO 0.03 0.13 0.00 0.23 0.09 0.00 0.00 178.44 178.92 2dd4 n MET 19 N -3.93 2.11 -1.70 1.13 2.81 -0.58 -4.95 117.12 112.00 2dd4 n MET 19 Ca -0.02 -1.63 -0.54 0.00 -1.81 0.00 0.00 57.70 53.70 2dd4 n MET 19 Cb 0.22 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.20 2dd4 n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dd4 n GLN 20 N 0.93 1.55 -1.85 0.03 -0.06 -0.92 -4.89 117.38 112.18 2dd4 n GLN 20 Ca 0.17 0.57 -0.37 0.00 -2.00 0.00 0.00 57.00 55.36 2dd4 n GLN 20 Cb 0.50 -2.32 0.05 0.00 -4.06 0.00 0.00 30.24 24.42 2dd4 n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dd4 s PRO 21 N 3.74 2.87 0.13 3.69 0.02 -1.26 -5.03 135.00 139.16 2dd4 s PRO 21 Ca 0.96 2.04 -0.25 0.00 0.02 0.00 0.00 61.00 63.77 2dd4 s PRO 21 Cb -0.92 -2.00 0.07 0.00 0.02 0.00 0.00 34.50 31.67 2dd4 s PRO 21 CO 0.60 -1.34 0.72 0.00 -0.33 0.00 0.00 177.00 176.65 2dd4 s ALA 22 N -1.43 -1.62 -0.55 -1.55 0.00 -1.26 -5.09 121.76 110.27 2dd4 s ALA 22 Ca 0.78 0.51 -0.17 0.00 0.00 0.00 0.00 51.96 53.07 2dd4 s ALA 22 Cb -0.36 0.73 0.11 0.00 0.00 0.00 0.00 23.12 23.60 2dd4 s ALA 22 CO 0.40 -0.80 0.57 -0.51 0.00 0.00 0.00 175.76 175.41 2dd4 s LEU 23 N -2.71 5.79 -0.54 0.00 1.43 -1.26 -5.01 118.68 116.37 2dd4 s LEU 23 Ca 0.04 -1.57 -0.18 0.00 -1.03 0.00 0.00 54.13 51.39 2dd4 s LEU 23 Cb -0.02 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 44.04 2dd4 s LEU 23 CO -0.08 -0.93 0.62 -2.28 0.23 0.00 0.00 176.35 173.91 2dd4 s HIS 24 N 2.04 3.07 -0.49 0.29 2.46 -1.26 -5.03 115.29 116.36 2dd4 s HIS 24 Ca 0.07 -0.84 -0.15 0.00 0.47 0.00 0.00 55.06 54.60 2dd4 s HIS 24 Cb -0.27 -3.73 0.09 0.00 -0.13 0.00 0.00 32.58 28.54 2dd4 s HIS 24 CO 0.05 -1.12 0.42 -1.14 -2.47 0.00 0.00 174.74 170.48 2dd4 s GLN 25 N 2.45 2.95 0.36 2.88 0.74 -1.26 -5.06 119.66 122.72 2dd4 s GLN 25 Ca 0.11 -1.48 -0.27 0.00 0.05 0.00 0.00 55.36 53.77 2dd4 s GLN 25 Cb -0.23 -4.16 -0.09 0.00 1.10 0.00 0.00 33.01 29.62 2dd4 s GLN 25 CO 0.08 -1.12 1.24 -0.65 -0.55 0.00 0.00 175.29 174.28 2dd4 s GLN 26 N 1.61 4.22 -0.21 1.67 -0.21 -1.26 -5.01 119.66 120.48 2dd4 s GLN 26 Ca 0.04 2.04 -0.04 0.00 0.02 0.00 0.00 55.36 57.42 2dd4 s GLN 26 Cb -0.26 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 30.83 2dd4 s GLN 26 CO 0.05 -0.24 -0.05 0.95 -2.12 0.00 0.00 175.29 173.89 2dd4 s THR 27 N -1.25 3.41 -0.65 -0.19 -4.23 -1.26 -5.04 115.64 106.43 2dd4 s THR 27 Ca 0.52 -0.49 0.05 0.00 -1.18 0.00 0.00 61.69 60.60 2dd4 s THR 27 Cb -0.36 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.15 2dd4 s THR 27 CO 0.46 0.44 0.57 1.41 -0.54 0.00 0.00 174.62 176.96 2dd4 n HIS 28 N 4.59 2.99 -3.61 3.99 8.25 -1.26 -4.90 115.22 125.28 2dd4 n HIS 28 Ca -0.18 -4.17 -0.29 0.00 -0.26 0.00 0.00 57.72 52.82 2dd4 n HIS 28 Cb 0.51 -0.54 0.05 0.00 1.12 0.00 0.00 29.99 31.13 2dd4 n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dd4 n ALA 29 N 1.61 -2.55 -1.30 -1.41 0.00 -1.26 -4.92 120.51 110.67 2dd4 n ALA 29 Ca 0.24 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 2dd4 n ALA 29 Cb 0.39 -4.20 0.09 0.00 0.00 0.00 0.00 19.45 15.72 2dd4 n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dd4 s PRO 30 N -5.67 2.17 0.70 0.00 0.04 -1.26 -4.99 135.00 125.99 2dd4 s PRO 30 Ca 0.45 1.57 -0.15 0.00 0.04 0.00 0.00 61.00 62.92 2dd4 s PRO 30 Cb -0.15 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2dd4 s PRO 30 CO 0.84 -1.77 1.15 0.00 0.04 0.00 0.00 177.00 177.26 2dd4 s ALA 31 N -2.26 2.29 0.47 8.56 0.00 -1.26 -4.88 121.76 124.67 2dd4 s ALA 31 Ca 0.70 0.67 0.24 0.00 0.00 0.00 0.00 51.96 53.57 2dd4 s ALA 31 Cb -0.25 -3.38 1.27 0.00 0.00 0.00 0.00 23.12 20.77 2dd4 s ALA 31 CO 0.47 -1.58 1.86 -1.35 0.00 0.00 0.00 175.76 175.16 2dd4 h PRO 32 N -0.20 0.21 0.00 0.00 0.11 -1.96 0.25 132.00 130.41 2dd4 h PRO 32 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2dd4 h PRO 32 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dd4 h PRO 32 CO 0.52 0.14 0.00 0.25 -0.21 0.00 0.00 178.00 178.70 2dd4 n THR 33 N -4.41 1.07 1.11 -1.15 -2.24 -1.26 -1.90 114.28 105.49 2dd4 n THR 33 Ca 0.20 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 2dd4 n THR 33 Cb 0.85 -1.05 0.16 0.00 -2.10 0.00 0.00 70.33 68.19 2dd4 n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dd4 n GLU 34 N -1.48 1.52 -3.58 -0.78 -0.58 0.86 -4.83 120.64 111.77 2dd4 n GLU 34 Ca 0.03 -1.17 -0.40 0.00 -0.42 0.00 0.00 57.16 55.20 2dd4 n GLU 34 Cb 0.15 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 2dd4 n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dd4 s ILE 35 N -2.29 4.81 0.68 -3.67 -1.09 -0.80 -5.02 121.20 113.82 2dd4 s ILE 35 Ca 0.25 -0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 2dd4 s ILE 35 Cb 0.19 -3.59 0.05 0.00 -1.58 0.00 0.00 42.46 37.53 2dd4 s ILE 35 CO 0.46 -0.14 0.99 0.42 -1.23 0.00 0.00 174.94 175.44 2dd4 s THR 36 N 1.62 2.48 0.26 2.92 -4.23 -1.26 -4.86 115.64 112.56 2dd4 s THR 36 Ca 0.04 -0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 2dd4 s THR 36 Cb -0.18 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.83 2dd4 s THR 36 CO 0.08 -0.07 1.91 -0.74 -0.54 0.00 0.00 174.62 175.26 2dd4 h HIS 37 N -0.52 1.18 -0.70 3.99 2.76 -1.98 0.20 115.15 120.08 2dd4 h HIS 37 Ca -0.44 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 57.74 2dd4 h HIS 37 Cb 1.31 -0.39 -0.04 0.00 1.55 0.00 0.00 27.41 29.84 2dd4 h HIS 37 CO 0.36 0.77 0.46 1.15 -1.30 0.00 0.00 177.93 179.37 2dd4 h THR 38 N 1.24 1.18 -0.22 6.26 2.02 -2.00 -0.50 112.91 120.89 2dd4 h THR 38 Ca 0.33 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 2dd4 h THR 38 Cb -0.07 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 2dd4 h THR 38 CO -0.06 0.17 -0.49 -0.07 0.37 0.00 0.00 175.52 175.44 2dd4 h LEU 39 N 0.95 0.65 -0.42 2.58 3.38 -1.80 -2.00 115.31 118.65 2dd4 h LEU 39 Ca 0.26 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2dd4 h LEU 39 Cb -0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2dd4 h LEU 39 CO -0.06 1.03 0.27 0.15 0.09 0.00 0.00 178.44 179.93 2dd4 h PHE 40 N 0.47 0.53 -0.53 1.13 3.57 -0.39 0.18 116.94 121.89 2dd4 h PHE 40 Ca 0.02 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 2dd4 h PHE 40 Cb 1.03 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 2dd4 h PHE 40 CO 0.04 0.34 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.36 2dd4 h ARG 41 N 0.56 0.92 -0.42 1.11 2.43 -1.01 -1.26 114.38 116.71 2dd4 h ARG 41 Ca 0.15 -0.28 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 2dd4 h ARG 41 Cb -0.06 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 2dd4 h ARG 41 CO -0.03 0.92 -0.23 0.00 -1.51 0.00 0.00 179.97 179.12 2dd4 h ALA 42 N 1.13 0.60 -0.20 2.80 0.00 -0.88 -2.05 119.26 120.65 2dd4 h ALA 42 Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 2dd4 h ALA 42 Cb 0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2dd4 h ALA 42 CO 0.03 0.59 -0.58 1.88 0.00 0.00 0.00 179.25 181.16 2dd4 h TYR 43 N 0.73 0.84 -0.28 0.00 0.05 -0.54 -3.17 116.97 114.60 2dd4 h TYR 43 Ca 0.09 -0.31 0.00 0.00 0.05 0.00 0.00 58.73 58.56 2dd4 h TYR 43 Cb 0.80 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.39 2dd4 h TYR 43 CO 0.06 1.08 0.00 0.25 -1.05 0.00 0.00 178.16 178.50 2dd4 n THR 44 N -3.96 0.37 -0.65 -2.88 -2.24 -0.49 -4.94 114.28 99.50 2dd4 n THR 44 Ca -0.04 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 2dd4 n THR 44 Cb 0.63 0.33 0.18 0.00 -2.10 0.00 0.00 70.33 69.38 2dd4 n THR 44 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2dd4 n ARG 45 N 0.51 -1.29 -3.40 -0.78 1.85 -0.77 -4.95 116.66 107.83 2dd4 n ARG 45 Ca 0.14 -0.34 -0.43 0.00 -1.00 0.00 0.00 57.85 56.23 2dd4 n ARG 45 Cb 0.33 -2.01 -0.09 0.00 -1.05 0.00 0.00 32.46 29.64 2dd4 n ARG 45 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2dd4 s VAL 46 N -2.41 5.18 0.44 8.89 1.01 -1.26 -4.98 120.40 127.27 2dd4 s VAL 46 Ca 0.62 -0.41 0.31 0.00 0.00 0.00 0.00 61.98 62.49 2dd4 s VAL 46 Cb -0.20 -3.95 0.49 0.00 0.00 0.00 0.00 36.38 32.71 2dd4 s VAL 46 CO 0.65 -0.31 1.60 -0.65 0.00 0.00 0.00 175.10 176.38 2dd4 h PRO 47 N 8.64 0.04 0.00 2.72 0.11 -1.82 -1.80 132.00 139.89 2dd4 h PRO 47 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dd4 h PRO 47 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dd4 h PRO 47 CO 0.75 0.03 0.00 -2.39 -0.21 0.00 0.00 178.00 176.17 2dd4 n HIS 48 N -4.75 0.82 -2.50 0.65 1.44 -1.14 -4.48 115.22 105.25 2dd4 n HIS 48 Ca 0.39 0.28 -0.43 0.00 -2.01 0.00 0.00 57.72 55.95 2dd4 n HIS 48 Cb 1.49 -0.96 0.00 0.00 0.12 0.00 0.00 29.99 30.65 2dd4 n HIS 48 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dd4 n ASP 49 N -2.21 4.83 -0.36 4.39 2.03 -0.68 -4.71 116.55 119.85 2dd4 n ASP 49 Ca 0.04 -2.93 0.08 0.00 0.52 0.00 0.00 54.79 52.50 2dd4 n ASP 49 Cb 0.32 -1.69 -0.01 0.00 -0.72 0.00 0.00 41.12 39.02 2dd4 n ASP 49 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2dd4 n VAL 50 N 5.70 0.00 -1.66 5.18 0.24 -1.26 -4.98 118.33 121.55 2dd4 n VAL 50 Ca 0.47 -0.31 -0.46 0.00 -2.04 0.00 0.00 64.34 61.99 2dd4 n VAL 50 Cb 0.44 1.19 -0.04 0.00 -1.47 0.00 0.00 33.84 33.95 2dd4 n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dd4 n GLY 51 N 1.19 1.02 0.52 7.63 0.00 -1.26 -1.93 105.19 112.36 2dd4 n GLY 51 Ca 0.07 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.71 2dd4 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dd4 n GLY 52 N 3.11 2.65 3.75 -0.02 0.00 -1.26 -5.04 105.19 108.37 2dd4 n GLY 52 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2dd4 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dd4 s GLU 53 N -0.86 4.32 0.25 1.61 2.02 -0.81 -4.95 118.70 120.28 2dd4 s GLU 53 Ca 0.00 2.23 -0.30 0.00 0.02 0.00 0.00 54.97 56.92 2dd4 s GLU 53 Cb 0.00 -3.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.03 2dd4 s GLU 53 CO 0.00 -0.30 1.33 0.00 0.02 0.00 0.00 175.26 176.31 2dd4 s ALA 54 N -0.46 3.54 0.22 5.21 0.00 -1.26 -5.01 121.76 123.99 2dd4 s ALA 54 Ca 0.55 1.20 -0.09 0.00 0.00 0.00 0.00 51.96 53.61 2dd4 s ALA 54 Cb -0.40 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.21 2dd4 s ALA 54 CO 0.47 -0.60 0.35 0.34 0.00 0.00 0.00 175.76 176.32 2dd4 s ASP 55 N 0.05 -0.01 0.52 0.00 -1.08 -1.26 -5.18 116.67 109.72 2dd4 s ASP 55 Ca 0.55 -1.02 0.04 0.00 -0.52 0.00 0.00 52.55 51.59 2dd4 s ASP 55 Cb -0.39 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 41.61 2dd4 s ASP 55 CO 0.44 -1.01 0.72 0.68 0.52 0.00 0.00 175.17 176.52 2dd4 s VAL 56 N -4.04 2.72 0.18 1.11 -7.23 -1.26 -5.07 120.40 106.81 2dd4 s VAL 56 Ca 0.25 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.37 2dd4 s VAL 56 Cb 0.02 -2.93 -0.08 0.00 0.56 0.00 0.00 36.38 33.95 2dd4 s VAL 56 CO 0.08 0.00 0.82 -2.84 -0.31 0.00 0.00 175.10 172.84 2dd4 s PRO 57 N -4.64 4.64 0.04 4.82 0.02 -1.26 -5.05 135.00 133.57 2dd4 s PRO 57 Ca 0.57 1.24 0.02 0.00 0.02 0.00 0.00 61.00 62.86 2dd4 s PRO 57 Cb -0.10 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 2dd4 s PRO 57 CO 0.37 0.56 -0.08 0.96 -0.33 0.00 0.00 177.00 178.48 2dd4 s ILE 58 N -1.16 0.55 -0.68 2.83 -0.00 -1.26 -5.08 121.20 116.40 2dd4 s ILE 58 Ca 0.37 -1.08 -0.27 0.00 -0.00 0.00 0.00 60.65 59.67 2dd4 s ILE 58 Cb -0.24 -0.61 0.02 0.00 -0.00 0.00 0.00 42.46 41.63 2dd4 s ILE 58 CO 0.28 -0.38 1.41 -0.70 -0.00 0.00 0.00 174.94 175.55 2dd4 s GLU 59 N -1.57 3.12 0.28 0.37 2.12 -1.26 -4.96 118.70 116.81 2dd4 s GLU 59 Ca -0.10 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2dd4 s GLU 59 Cb -0.10 -4.20 -0.12 0.00 0.26 0.00 0.00 34.13 29.97 2dd4 s GLU 59 CO 0.00 -2.20 1.49 0.66 -0.54 0.00 0.00 175.26 174.67 2dd4 n TYR 60 N 10.01 2.56 -4.39 5.30 4.01 -1.26 -5.01 117.16 128.37 2dd4 n TYR 60 Ca 0.08 0.36 -0.22 0.00 -0.16 0.00 0.00 57.90 57.97 2dd4 n TYR 60 Cb 0.50 -2.52 -0.10 0.00 -0.31 0.00 0.00 39.34 36.90 2dd4 n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dd4 s HIS 61 N -0.22 1.97 0.32 -0.72 -3.43 -1.26 -5.14 115.29 106.82 2dd4 s HIS 61 Ca 0.64 -0.45 -0.02 0.00 -0.80 0.00 0.00 55.06 54.43 2dd4 s HIS 61 Cb -0.56 -0.91 -0.04 0.00 -1.43 0.00 0.00 32.58 29.64 2dd4 s HIS 61 CO 0.51 0.48 0.55 -1.21 -2.00 0.00 0.00 174.74 173.08 2dd4 s GLU 62 N -3.35 3.53 -0.03 -0.38 0.41 -1.26 -5.10 118.70 112.53 2dd4 s GLU 62 Ca 0.23 -0.20 0.02 0.00 -0.41 0.00 0.00 54.97 54.61 2dd4 s GLU 62 Cb -0.04 -2.66 0.01 0.00 -1.78 0.00 0.00 34.13 29.66 2dd4 s GLU 62 CO 0.10 0.17 -0.07 0.21 -0.49 0.00 0.00 175.26 175.18 2dd4 s LYS 63 N -4.02 0.77 0.31 1.61 2.20 -1.26 -5.12 119.74 114.23 2dd4 s LYS 63 Ca 0.41 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.52 2dd4 s LYS 63 Cb -0.10 -0.75 -0.10 0.00 -1.51 0.00 0.00 37.83 35.37 2dd4 s LYS 63 CO 0.34 0.05 1.42 -2.00 -0.36 0.00 0.00 175.35 174.81 2dd4 s GLU 64 N 0.33 4.25 0.02 4.03 2.12 -1.26 -4.96 118.70 123.22 2dd4 s GLU 64 Ca -0.04 2.36 -0.30 0.00 0.36 0.00 0.00 54.97 57.34 2dd4 s GLU 64 Cb -0.09 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 2dd4 s GLU 64 CO 0.00 -0.39 1.05 -2.00 -0.54 0.00 0.00 175.26 173.39 2dd4 s GLU 65 N -1.23 4.51 0.42 4.30 2.12 -1.26 -5.03 118.70 122.53 2dd4 s GLU 65 Ca 0.55 1.53 -0.21 0.00 0.36 0.00 0.00 54.97 57.20 2dd4 s GLU 65 Cb -0.43 -3.43 -0.11 0.00 0.26 0.00 0.00 34.13 30.43 2dd4 s GLU 65 CO 0.51 -0.13 0.94 -1.21 -0.54 0.00 0.00 175.26 174.84 2dd4 s GLU 66 N 1.08 4.26 0.23 4.30 0.41 -1.26 -4.96 118.70 122.75 2dd4 s GLU 66 Ca 0.54 1.12 -0.08 0.00 -0.41 0.00 0.00 54.97 56.14 2dd4 s GLU 66 Cb -0.24 -2.25 0.21 0.00 -1.78 0.00 0.00 34.13 30.08 2dd4 s GLU 66 CO 0.28 0.01 1.89 0.82 -0.49 0.00 0.00 175.26 177.77 2dd4 h ILE 67 N 1.98 1.20 0.00 -1.63 2.04 -2.00 -1.27 117.51 117.82 2dd4 h ILE 67 Ca -0.49 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 2dd4 h ILE 67 Cb 1.18 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2dd4 h ILE 67 CO 0.62 0.21 -0.17 4.11 0.00 0.00 0.00 178.15 182.91 2dd4 h TRP 68 N 1.13 0.00 -0.18 1.37 5.08 -1.99 -1.83 115.95 119.54 2dd4 h TRP 68 Ca 0.32 0.00 -0.12 0.00 1.08 0.00 0.00 58.89 60.17 2dd4 h TRP 68 Cb -0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 2dd4 h TRP 68 CO -0.01 0.17 -0.36 0.93 -1.28 0.00 0.00 178.44 177.89 2dd4 h GLU 69 N 0.00 0.56 -0.68 0.12 5.08 -1.63 -0.41 114.58 117.62 2dd4 h GLU 69 Ca -0.00 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2dd4 h GLU 69 Cb 0.45 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2dd4 h GLU 69 CO 0.02 0.97 0.26 1.25 -1.00 0.00 0.00 179.01 180.52 2dd4 h LEU 70 N 0.21 0.95 -0.98 1.33 5.85 -1.06 -0.96 115.31 120.65 2dd4 h LEU 70 Ca 0.01 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 2dd4 h LEU 70 Cb 0.96 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2dd4 h LEU 70 CO 0.08 0.87 -0.13 0.78 -0.34 0.00 0.00 178.44 179.70 2dd4 h ASN 71 N 0.97 0.58 -0.40 1.25 2.35 -1.28 -1.40 115.58 117.65 2dd4 h ASN 71 Ca 0.23 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2dd4 h ASN 71 Cb 0.22 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2dd4 h ASN 71 CO -0.02 0.74 -0.03 0.74 -1.65 0.00 0.00 177.43 177.21 2dd4 h THR 72 N 0.54 1.27 -0.19 2.81 2.02 -0.69 -0.02 112.91 118.64 2dd4 h THR 72 Ca 0.10 -1.06 -0.00 0.00 0.77 0.00 0.00 66.41 66.21 2dd4 h THR 72 Cb 0.54 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2dd4 h THR 72 CO 0.03 0.36 0.12 0.15 0.37 0.00 0.00 175.52 176.55 2dd4 h PHE 73 N 0.55 0.25 -0.52 3.16 3.57 -0.96 -0.56 116.94 122.44 2dd4 h PHE 73 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2dd4 h PHE 73 Cb 0.52 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 2dd4 h PHE 73 CO 0.04 0.19 0.34 0.00 -2.23 0.00 0.00 178.31 176.65 2dd4 h ALA 74 N 1.04 0.66 -0.46 2.41 0.00 -1.13 -1.47 119.26 120.30 2dd4 h ALA 74 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2dd4 h ALA 74 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2dd4 h ALA 74 CO -0.01 0.10 0.30 1.15 0.00 0.00 0.00 179.25 180.79 2dd4 h THR 75 N 0.70 1.10 -0.67 0.00 2.02 -0.69 0.81 112.91 116.17 2dd4 h THR 75 Ca 0.19 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 2dd4 h THR 75 Cb -0.07 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 2dd4 h THR 75 CO -0.04 0.11 0.14 0.00 0.37 0.00 0.00 175.52 176.10 2dd4 h GLU 77 N 1.03 0.24 -0.42 0.00 4.39 -1.08 -2.71 114.58 116.03 2dd4 h GLU 77 Ca 0.21 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2dd4 h GLU 77 Cb 0.39 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2dd4 h GLU 77 CO 0.01 0.89 -0.25 0.00 -1.16 0.00 0.00 179.01 178.49 2dd4 h LEU 79 N 0.75 0.68 -0.01 0.00 3.38 -0.94 0.13 115.31 119.30 2dd4 h LEU 79 Ca 0.09 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2dd4 h LEU 79 Cb 0.80 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2dd4 h LEU 79 CO 0.07 0.69 -0.53 0.00 0.09 0.00 0.00 178.44 178.75 2dd4 h ALA 80 N 1.41 0.08 -0.72 1.53 0.00 -1.25 0.52 119.26 120.84 2dd4 h ALA 80 Ca 0.16 -0.54 0.12 0.00 0.00 0.00 0.00 54.91 54.65 2dd4 h ALA 80 Cb 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 2dd4 h ALA 80 CO -0.00 0.31 0.30 2.35 0.00 0.00 0.00 179.25 182.20 2dd4 h TRP 81 N -0.15 0.52 -0.29 0.00 7.01 -0.33 -1.34 115.95 121.37 2dd4 h TRP 81 Ca -0.06 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2dd4 h TRP 81 Cb 1.24 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.18 2dd4 h TRP 81 CO 0.15 0.11 0.00 0.54 -2.79 0.00 0.00 178.44 176.45 2dd4 n ARG 82 N -4.97 2.54 -1.00 2.65 5.12 0.01 -4.93 116.66 116.08 2dd4 n ARG 82 Ca 0.12 -1.41 0.00 0.00 -1.93 0.00 0.00 57.85 54.64 2dd4 n ARG 82 Cb 0.35 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 29.96 2dd4 n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dd4 n GLY 83 N 0.50 0.60 0.20 -0.13 0.00 -0.50 -4.92 105.19 100.93 2dd4 n GLY 83 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 2dd4 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dd4 h VAL 84 N 0.00 1.29 -2.54 1.61 2.07 -1.11 -3.47 116.25 114.10 2dd4 h VAL 84 Ca 0.00 -1.39 0.14 0.00 0.82 0.00 0.00 66.70 66.28 2dd4 h VAL 84 Cb 0.02 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 2dd4 h VAL 84 CO 0.00 0.41 0.41 -1.66 0.02 0.00 0.00 177.57 176.75 2dd4 s TRP 85 N -4.22 -0.13 0.29 1.57 -2.14 -1.22 -5.01 118.94 108.07 2dd4 s TRP 85 Ca -0.04 -0.23 0.07 0.00 2.66 0.00 0.00 56.10 58.56 2dd4 s TRP 85 Cb 0.14 0.67 -0.03 0.00 -3.10 0.00 0.00 33.47 31.15 2dd4 s TRP 85 CO 0.76 -0.96 0.28 0.95 -2.66 0.00 0.00 176.95 175.31 2dd4 s THR 86 N -3.41 4.15 0.31 0.66 -4.23 -1.26 -4.08 115.64 107.77 2dd4 s THR 86 Ca 0.12 -1.30 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2dd4 s THR 86 Cb -0.03 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.72 2dd4 s THR 86 CO 0.04 -0.26 1.92 0.00 -0.54 0.00 0.00 174.62 175.78 2dd4 h ALA 87 N 1.30 1.53 -0.75 3.99 0.00 -1.96 -2.00 119.26 121.36 2dd4 h ALA 87 Ca -0.47 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2dd4 h ALA 87 Cb 1.25 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2dd4 h ALA 87 CO 0.59 0.35 0.32 0.93 0.00 0.00 0.00 179.25 181.44 2dd4 h GLU 88 N 1.00 1.10 -0.73 0.00 4.39 -1.99 0.01 114.58 118.36 2dd4 h GLU 88 Ca 0.37 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 2dd4 h GLU 88 Cb 0.18 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2dd4 h GLU 88 CO -0.13 0.88 0.33 0.93 -1.16 0.00 0.00 179.01 179.85 2dd4 h GLU 89 N 1.09 1.06 -0.09 2.33 5.08 -1.77 -1.62 114.58 120.65 2dd4 h GLU 89 Ca 0.26 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2dd4 h GLU 89 Cb 0.17 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2dd4 h GLU 89 CO -0.03 0.83 0.04 -0.09 -1.00 0.00 0.00 179.01 178.76 2dd4 h ARG 90 N 1.04 0.14 -0.40 2.33 2.43 -0.83 -1.68 114.38 117.41 2dd4 h ARG 90 Ca 0.25 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2dd4 h ARG 90 Cb 0.15 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2dd4 h ARG 90 CO -0.03 0.26 0.17 0.00 -1.51 0.00 0.00 179.97 178.86 2dd4 h ARG 91 N -0.01 0.35 -0.50 0.20 3.08 -0.76 0.62 114.38 117.36 2dd4 h ARG 91 Ca 0.03 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2dd4 h ARG 91 Cb 0.17 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 2dd4 h ARG 91 CO -0.00 0.23 0.32 -0.09 -1.07 0.00 0.00 179.97 179.35 2dd4 h ARG 92 N 0.36 0.62 -0.11 0.04 1.12 -1.22 0.33 114.38 115.52 2dd4 h ARG 92 Ca 0.18 -0.04 -0.22 0.00 -1.11 0.00 0.00 59.98 58.79 2dd4 h ARG 92 Cb 0.12 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2dd4 h ARG 92 CO -0.15 0.41 -0.80 0.87 -3.11 0.00 0.00 179.97 177.19 2dd4 h LYS 93 N 0.64 0.67 0.25 0.20 1.57 -0.85 -0.69 116.57 118.36 2dd4 h LYS 93 Ca 0.19 -0.57 -0.34 0.00 -1.87 0.00 0.00 60.65 58.06 2dd4 h LYS 93 Cb -0.04 0.13 0.04 0.00 0.08 0.00 0.00 32.23 32.43 2dd4 h LYS 93 CO -0.06 1.18 -1.50 0.37 -0.57 0.00 0.00 179.45 178.87 2dd4 h GLN 94 N 0.44 0.52 -0.02 3.15 4.15 0.39 -3.13 115.11 120.62 2dd4 h GLN 94 Ca -0.06 -0.89 0.00 0.00 0.77 0.00 0.00 58.65 58.47 2dd4 h GLN 94 Cb 1.42 0.33 0.00 0.00 0.21 0.00 0.00 27.48 29.44 2dd4 h GLN 94 CO 0.16 1.43 -0.30 0.09 -1.93 0.00 0.00 178.83 178.28 2dd4 n ASN 95 N -3.72 2.02 0.06 -0.69 3.02 0.12 -4.56 115.26 111.51 2dd4 n ASN 95 Ca -0.18 -1.51 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 2dd4 n ASN 95 Cb 1.10 0.35 0.00 0.00 -0.61 0.00 0.00 39.78 40.62 2dd4 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dd4 h ASP 97 N 0.00 0.00 0.29 0.00 3.32 -1.15 -2.14 116.42 116.73 2dd4 h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dd4 h ASP 97 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2dd4 h ASP 97 CO 0.00 0.00 0.00 -0.37 -1.72 0.00 0.00 179.24 177.15 2dd4 h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.79 -3.48 116.25 108.12 2dd4 h VAL 98 Ca 0.04 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2dd4 h VAL 98 Cb 0.19 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.13 2dd4 h VAL 98 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2dd4 n GLY 99 N -0.80 -1.36 0.22 5.19 0.00 -0.81 -4.33 105.19 103.31 2dd4 n GLY 99 Ca -0.01 -1.51 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 2dd4 n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dd4 h GLN 100 N 0.00 -0.05 0.54 1.61 5.75 -1.93 -0.59 115.11 120.44 2dd4 h GLN 100 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 2dd4 h GLN 100 Cb 0.00 0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.57 2dd4 h GLN 100 CO 0.00 -0.03 -0.26 1.15 -2.65 0.00 0.00 178.83 177.04 2dd4 h THR 101 N -0.05 0.47 -0.33 2.39 2.02 -2.00 -2.89 112.91 112.51 2dd4 h THR 101 Ca 0.22 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 2dd4 h THR 101 Cb 0.40 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2dd4 h THR 101 CO -0.51 0.00 -0.12 0.58 0.37 0.00 0.00 175.52 175.85 2dd4 h VAL 102 N -0.73 1.24 -0.83 3.16 2.07 -1.74 0.56 116.25 119.97 2dd4 h VAL 102 Ca -0.07 -1.06 0.12 0.00 0.82 0.00 0.00 66.70 66.51 2dd4 h VAL 102 Cb 0.56 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2dd4 h VAL 102 CO 0.12 0.35 0.54 0.22 0.02 0.00 0.00 177.57 178.82 2dd4 h TYR 103 N 0.52 0.78 0.00 1.57 3.20 -0.94 -2.45 116.97 119.65 2dd4 h TYR 103 Ca 0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2dd4 h TYR 103 Cb 0.52 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.54 2dd4 h TYR 103 CO 0.02 0.33 -0.79 1.28 -1.64 0.00 0.00 178.16 177.36 2dd4 n LEU 104 N -4.53 0.23 0.03 2.82 4.77 -1.11 -4.65 117.00 114.56 2dd4 n LEU 104 Ca 0.15 -0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 55.82 2dd4 n LEU 104 Cb 0.40 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.40 2dd4 n LEU 104 CO 0.31 0.06 -0.26 1.23 -1.33 0.00 0.00 177.39 177.40 2dd4 h GLY 105 N 1.75 0.00 -2.81 -0.72 0.00 -0.82 -3.47 103.07 96.99 2dd4 h GLY 105 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2dd4 h GLY 105 CO 0.00 0.00 -0.35 1.06 0.00 0.00 0.00 176.54 177.25 2dd4 s MET 106 N -2.86 3.12 0.54 4.80 -1.94 -0.93 -5.05 119.30 116.99 2dd4 s MET 106 Ca -0.02 -1.01 -0.18 0.00 -1.71 0.00 0.00 55.69 52.77 2dd4 s MET 106 Cb 0.08 -2.81 -0.06 0.00 2.01 0.00 0.00 34.83 34.06 2dd4 s MET 106 CO 0.81 0.09 1.04 -2.14 -0.01 0.00 0.00 175.02 174.82 2dd4 s PRO 107 N -4.15 3.56 0.06 2.03 0.02 -1.26 -4.90 135.00 130.36 2dd4 s PRO 107 Ca 0.44 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 2dd4 s PRO 107 Cb -0.09 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.33 2dd4 s PRO 107 CO 0.31 -0.62 1.21 -0.92 -0.33 0.00 0.00 177.00 176.65 2dd4 h TYR 108 N 0.93 -0.70 0.00 6.54 3.20 -1.96 0.10 116.97 125.09 2dd4 h TYR 108 Ca -0.48 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2dd4 h TYR 108 Cb 1.22 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.83 2dd4 h TYR 108 CO 0.58 -0.16 0.00 0.66 -1.64 0.00 0.00 178.16 177.60 2dd4 n TYR 109 N -3.80 0.84 -0.10 -3.82 0.53 -1.26 -1.66 117.16 107.89 2dd4 n TYR 109 Ca -0.00 0.35 -0.10 0.00 -1.02 0.00 0.00 57.90 57.13 2dd4 n TYR 109 Cb 0.11 -1.06 0.04 0.00 -1.03 0.00 0.00 39.34 37.41 2dd4 n TYR 109 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2dd4 h GLY 110 N 1.86 0.91 1.34 2.72 0.00 -1.20 -1.59 103.07 107.10 2dd4 h GLY 110 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 47.33 46.34 2dd4 h GLY 110 CO 0.00 0.76 -0.41 3.21 0.00 0.00 0.00 176.54 180.11 2dd4 h ARG 111 N 0.71 0.73 -0.25 4.80 3.08 -0.35 -1.41 114.38 121.68 2dd4 h ARG 111 Ca 0.08 -0.38 0.02 0.00 0.07 0.00 0.00 59.98 59.77 2dd4 h ARG 111 Cb 0.84 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2dd4 h ARG 111 CO 0.07 1.00 0.12 -1.49 -1.07 0.00 0.00 179.97 178.61 2dd4 h TRP 112 N 0.59 0.23 0.02 3.04 4.06 -1.29 -1.12 115.95 121.48 2dd4 h TRP 112 Ca 0.05 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 2dd4 h TRP 112 Cb 0.95 -0.07 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 2dd4 h TRP 112 CO 0.05 0.13 -0.01 1.25 -3.56 0.00 0.00 178.44 176.30 2dd4 h LEU 113 N 0.26 -0.02 -0.86 -4.49 5.85 -1.15 -0.52 115.31 114.38 2dd4 h LEU 113 Ca 0.10 -0.20 0.09 0.00 0.84 0.00 0.00 57.88 58.71 2dd4 h LEU 113 Cb 0.03 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.99 2dd4 h LEU 113 CO -0.07 0.19 0.51 -0.07 -0.34 0.00 0.00 178.44 178.66 2dd4 h LEU 114 N -0.23 0.76 -0.88 2.25 3.38 -1.20 -1.44 115.31 117.95 2dd4 h LEU 114 Ca -0.00 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2dd4 h LEU 114 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2dd4 h LEU 114 CO 0.00 0.44 -0.51 0.74 0.09 0.00 0.00 178.44 179.20 2dd4 h THR 115 N 0.87 1.25 -0.44 0.22 2.02 -1.02 -0.13 112.91 115.68 2dd4 h THR 115 Ca 0.41 -1.84 -0.14 0.00 0.77 0.00 0.00 66.41 65.61 2dd4 h THR 115 Cb 0.34 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.76 2dd4 h THR 115 CO -0.23 0.50 -0.29 0.00 0.37 0.00 0.00 175.52 175.87 2dd4 h ALA 116 N 1.49 0.65 -0.46 6.16 0.00 -0.10 -0.77 119.26 126.22 2dd4 h ALA 116 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2dd4 h ALA 116 Cb 0.98 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2dd4 h ALA 116 CO 0.07 0.68 -0.13 0.00 0.00 0.00 0.00 179.25 179.87 2dd4 h ALA 117 N 0.84 0.92 -0.34 0.00 0.00 -1.01 -3.12 119.26 116.55 2dd4 h ALA 117 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2dd4 h ALA 117 Cb 0.88 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2dd4 h ALA 117 CO 0.08 0.63 0.15 -0.09 0.00 0.00 0.00 179.25 180.01 2dd4 h ARG 118 N 0.76 0.50 -0.58 0.00 9.65 -0.61 -2.86 114.38 121.23 2dd4 h ARG 118 Ca 0.12 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2dd4 h ARG 118 Cb 0.64 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2dd4 h ARG 118 CO 0.04 0.49 0.36 0.97 2.80 0.00 0.00 179.97 184.63 2dd4 h ILE 119 N 0.41 1.16 -0.93 1.20 6.09 -1.10 0.12 117.51 124.45 2dd4 h ILE 119 Ca 0.12 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 63.25 2dd4 h ILE 119 Cb 0.16 0.33 -0.04 0.00 0.47 0.00 0.00 36.82 37.74 2dd4 h ILE 119 CO -0.01 0.17 0.54 -0.07 -3.07 0.00 0.00 178.15 175.70 2dd4 h LEU 120 N 0.80 1.14 0.06 2.19 3.38 -1.45 -2.23 115.31 119.20 2dd4 h LEU 120 Ca 0.21 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2dd4 h LEU 120 Cb -0.04 -0.29 0.01 0.00 0.09 0.00 0.00 40.66 40.43 2dd4 h LEU 120 CO -0.04 0.89 -0.51 0.58 0.09 0.00 0.00 178.44 179.45 2dd4 h VAL 121 N 1.29 1.56 -0.24 1.22 2.07 -1.18 0.70 116.25 121.68 2dd4 h VAL 121 Ca 0.33 -2.31 -0.03 0.00 0.82 0.00 0.00 66.70 65.51 2dd4 h VAL 121 Cb -0.02 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2dd4 h VAL 121 CO -0.06 0.64 0.01 0.44 0.02 0.00 0.00 177.57 178.62 2dd4 h ASP 122 N -0.48 0.32 -0.59 0.57 3.32 -0.79 -1.51 116.42 117.26 2dd4 h ASP 122 Ca -0.08 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2dd4 h ASP 122 Cb 1.33 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2dd4 h ASP 122 CO 0.10 0.37 0.00 0.29 -1.72 0.00 0.00 179.24 178.28 2dd4 n LYS 123 N -4.35 3.05 -3.27 3.56 5.02 -0.84 -4.95 118.16 116.37 2dd4 n LYS 123 Ca 0.00 -2.41 -0.24 0.00 -2.02 0.00 0.00 58.31 53.65 2dd4 n LYS 123 Cb 0.19 -1.70 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 2dd4 n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dd4 n GLN 124 N 1.11 -4.53 0.18 1.97 6.02 -0.57 -4.86 117.38 116.70 2dd4 n GLN 124 Ca 0.22 0.70 0.10 0.00 -0.01 0.00 0.00 57.00 58.01 2dd4 n GLN 124 Cb 0.70 -5.52 0.11 0.00 1.02 0.00 0.00 30.24 26.55 2dd4 n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dd4 h PHE 125 N -1.36 0.00 -3.52 1.08 0.04 -1.12 -3.45 116.94 108.61 2dd4 h PHE 125 Ca -0.50 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.13 2dd4 h PHE 125 Cb 1.34 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.29 2dd4 h PHE 125 CO 0.59 0.12 -0.48 0.14 -0.60 0.00 0.00 178.31 178.08 2dd4 s VAL 126 N -3.17 0.09 0.44 -0.55 -7.23 -0.97 -5.04 120.40 103.97 2dd4 s VAL 126 Ca 0.05 -0.74 -0.05 0.00 -1.81 0.00 0.00 61.98 59.43 2dd4 s VAL 126 Cb 0.06 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2dd4 s VAL 126 CO 0.71 -0.41 0.74 0.42 -0.31 0.00 0.00 175.10 176.25 2dd4 s THR 127 N -1.60 4.93 0.45 5.32 -4.23 -1.26 -4.22 115.64 115.03 2dd4 s THR 127 Ca -0.13 0.15 0.12 0.00 -1.18 0.00 0.00 61.69 60.65 2dd4 s THR 127 Cb -0.06 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.16 2dd4 s THR 127 CO 0.01 -0.73 2.05 0.25 -0.54 0.00 0.00 174.62 175.65 2dd4 h LEU 128 N 0.53 0.16 -0.74 4.79 5.85 -1.96 -1.27 115.31 122.66 2dd4 h LEU 128 Ca -0.47 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2dd4 h LEU 128 Cb 1.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2dd4 h LEU 128 CO 0.62 0.20 0.38 0.74 -0.34 0.00 0.00 178.44 180.04 2dd4 h THR 129 N 0.17 1.23 -0.69 1.05 2.02 -1.99 0.17 112.91 114.88 2dd4 h THR 129 Ca 0.04 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.53 2dd4 h THR 129 Cb 0.14 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.80 2dd4 h THR 129 CO 0.00 0.27 0.22 -0.33 0.37 0.00 0.00 175.52 176.05 2dd4 h GLU 130 N 1.04 1.08 -0.07 6.66 5.08 -1.63 0.44 114.58 127.18 2dd4 h GLU 130 Ca 0.26 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2dd4 h GLU 130 Cb 0.09 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2dd4 h GLU 130 CO -0.04 0.93 0.02 1.25 -1.00 0.00 0.00 179.01 180.18 2dd4 h LEU 131 N 1.02 0.10 -0.58 1.33 5.85 -0.76 0.15 115.31 122.41 2dd4 h LEU 131 Ca 0.22 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2dd4 h LEU 131 Cb 0.30 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 2dd4 h LEU 131 CO -0.01 0.26 0.36 0.45 -0.34 0.00 0.00 178.44 179.16 2dd4 h HIS 132 N -0.07 0.68 -0.33 1.25 3.86 -0.51 -1.20 115.15 118.83 2dd4 h HIS 132 Ca 0.02 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.18 2dd4 h HIS 132 Cb 0.19 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 2dd4 h HIS 132 CO -0.01 0.40 -0.10 -0.91 0.86 0.00 0.00 177.93 178.17 2dd4 h ASN 133 N 0.72 0.53 -0.52 2.45 2.35 -0.77 -2.27 115.58 118.07 2dd4 h ASN 133 Ca 0.23 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 2dd4 h ASN 133 Cb -0.00 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2dd4 h ASN 133 CO -0.09 0.67 -0.03 0.50 -1.65 0.00 0.00 177.43 176.84 2dd4 h LYS 134 N 0.51 0.94 -0.85 0.81 1.63 -0.27 -0.75 116.57 118.60 2dd4 h LYS 134 Ca 0.10 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 2dd4 h LYS 134 Cb 0.48 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 2dd4 h LYS 134 CO 0.03 0.97 0.42 0.82 -3.45 0.00 0.00 179.45 178.24 2dd4 h ILE 135 N 0.81 1.26 -0.67 2.00 2.04 -0.99 -0.53 117.51 121.42 2dd4 h ILE 135 Ca 0.14 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 2dd4 h ILE 135 Cb 0.57 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2dd4 h ILE 135 CO 0.03 0.30 0.40 0.58 0.00 0.00 0.00 178.15 179.46 2dd4 h VAL 136 N 1.20 1.20 -0.37 1.67 2.07 -1.06 -2.07 116.25 118.89 2dd4 h VAL 136 Ca 0.29 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.38 2dd4 h VAL 136 Cb 0.09 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 2dd4 h VAL 136 CO -0.04 0.21 0.21 -0.08 0.02 0.00 0.00 177.57 177.88 2dd4 h GLU 137 N 0.92 0.41 -0.71 1.57 4.81 -0.12 -0.89 114.58 120.56 2dd4 h GLU 137 Ca 0.24 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2dd4 h GLU 137 Cb -0.02 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 2dd4 h GLU 137 CO -0.04 0.27 0.37 0.52 -0.73 0.00 0.00 179.01 179.40 2dd4 h MET 138 N 0.42 1.00 -0.65 1.92 2.86 -0.87 -0.35 114.93 119.26 2dd4 h MET 138 Ca 0.15 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2dd4 h MET 138 Cb 0.02 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.47 2dd4 h MET 138 CO -0.08 0.76 0.20 0.00 1.06 0.00 0.00 176.91 178.86 2dd4 h ARG 139 N 0.98 1.01 -0.20 1.72 3.08 -1.01 -2.07 114.38 117.89 2dd4 h ARG 139 Ca 0.25 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 2dd4 h ARG 139 Cb 0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2dd4 h ARG 139 CO -0.04 0.89 -0.36 0.93 -1.07 0.00 0.00 179.97 180.32 2dd4 h GLU 140 N 0.94 0.44 -0.81 0.04 5.08 -0.88 -0.32 114.58 119.07 2dd4 h GLU 140 Ca 0.21 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dd4 h GLU 140 Cb 0.30 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2dd4 h GLU 140 CO -0.01 0.74 0.48 -0.09 -1.00 0.00 0.00 179.01 179.13 2dd4 h ARG 141 N 0.37 1.11 0.10 2.33 2.43 -0.71 0.32 114.38 120.33 2dd4 h ARG 141 Ca 0.04 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2dd4 h ARG 141 Cb 0.80 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2dd4 h ARG 141 CO 0.06 0.79 -0.05 0.28 -1.51 0.00 0.00 179.97 179.54 2dd4 h VAL 142 N 1.12 1.11 -0.65 0.20 2.07 -1.07 -0.80 116.25 118.22 2dd4 h VAL 142 Ca 0.29 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2dd4 h VAL 142 Cb -0.03 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 2dd4 h VAL 142 CO -0.05 0.22 0.43 0.00 0.02 0.00 0.00 177.57 178.19 2dd4 h ALA 143 N 0.24 1.65 0.00 1.67 0.00 -0.78 -0.91 119.26 121.13 2dd4 h ALA 143 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dd4 h ALA 143 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dd4 h ALA 143 CO 0.02 0.28 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 2dd4 n SER 144 N -4.46 0.00 -0.52 0.00 3.41 0.11 -4.89 113.62 107.27 2dd4 n SER 144 Ca 0.08 -0.86 -0.06 0.00 -0.26 0.00 0.00 58.87 57.77 2dd4 n SER 144 Cb 0.14 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 2dd4 n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dd4 n GLY 145 N 1.01 0.69 0.53 5.00 0.00 -0.35 -4.91 105.19 107.18 2dd4 n GLY 145 Ca 0.22 -0.75 0.11 0.00 0.00 0.00 0.00 46.02 45.60 2dd4 n GLY 145 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dd4 n GLN 146 N -2.56 1.70 -0.33 1.61 6.02 -0.32 -4.53 117.38 118.98 2dd4 n GLN 146 Ca -0.06 -1.06 0.04 0.00 -0.01 0.00 0.00 57.00 55.91 2dd4 n GLN 146 Cb 0.28 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 2dd4 n GLN 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dd4 n GLY 147 N 1.13 -2.28 2.59 1.08 0.00 -1.22 -4.29 105.19 102.19 2dd4 n GLY 147 Ca 0.16 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2dd4 n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dd4 s LEU 148 N -5.32 1.49 0.00 0.99 2.96 0.14 -4.39 118.68 114.54 2dd4 s LEU 148 Ca 0.00 -1.95 0.00 0.00 -0.22 0.00 0.00 54.13 51.96 2dd4 s LEU 148 Cb 0.00 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 46.08 2dd4 s LEU 148 CO 0.00 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2dd4 n GLY 149 N 4.39 2.17 0.35 7.98 0.00 -1.26 -1.02 105.19 117.80 2dd4 n GLY 149 Ca 0.04 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.95 2dd4 n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dd4 n GLU 150 N 14.00 1.48 0.08 1.61 0.28 -1.26 -3.90 120.64 132.93 2dd4 n GLU 150 Ca 0.00 -0.70 -0.15 0.00 -0.16 0.00 0.00 57.16 56.15 2dd4 n GLU 150 Cb 0.00 -1.47 -0.14 0.00 1.43 0.00 0.00 31.44 31.26 2dd4 n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dd4 h TYR 151 N 1.67 0.41 -2.68 -1.84 0.05 -1.52 -3.45 116.97 109.60 2dd4 h TYR 151 Ca 0.00 -0.30 -0.19 0.00 0.05 0.00 0.00 58.73 58.30 2dd4 h TYR 151 Cb 0.36 -0.02 -0.31 0.00 1.01 0.00 0.00 36.73 37.77 2dd4 h TYR 151 CO 0.01 1.28 -0.49 -1.17 -1.05 0.00 0.00 178.16 176.74 2dd4 s LEU 152 N -6.99 -0.40 0.53 3.88 2.96 -0.92 -4.94 118.68 112.80 2dd4 s LEU 152 Ca -0.06 0.61 -0.19 0.00 -0.22 0.00 0.00 54.13 54.27 2dd4 s LEU 152 Cb 0.07 0.87 -0.06 0.00 0.50 0.00 0.00 46.19 47.57 2dd4 s LEU 152 CO 0.86 -0.25 1.08 -2.16 -1.32 0.00 0.00 176.35 174.57 2dd4 s PRO 153 N 2.47 3.51 0.00 0.98 0.04 -1.26 0.23 135.00 140.96 2dd4 s PRO 153 Ca 0.02 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.60 2dd4 s PRO 153 Cb -0.13 -2.04 0.45 0.00 0.04 0.00 0.00 34.50 32.83 2dd4 s PRO 153 CO -0.10 -0.69 0.91 -0.35 0.04 0.00 0.00 177.00 176.80