#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dd4 h ILE 5 N 0.00 1.23 -0.72 2.46 2.04 -2.05 -2.11 117.51 118.36 2dd4 h ILE 5 Ca 0.00 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 2dd4 h ILE 5 Cb 0.00 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 2dd4 h ILE 5 CO 0.00 0.29 0.37 0.03 0.00 0.00 0.00 178.15 178.84 2dd4 h ARG 6 N 0.67 1.01 -0.37 2.37 2.47 -2.05 0.88 114.38 119.36 2dd4 h ARG 6 Ca 0.16 -0.12 -0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2dd4 h ARG 6 Cb 0.29 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 2dd4 h ARG 6 CO -0.00 0.76 0.23 0.93 0.56 0.00 0.00 179.97 182.44 2dd4 h GLU 7 N 1.01 0.50 -0.35 0.04 5.08 -1.92 -0.35 114.58 118.59 2dd4 h GLU 7 Ca 0.25 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2dd4 h GLU 7 Cb 0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2dd4 h GLU 7 CO -0.04 0.36 -0.13 1.49 -1.00 0.00 0.00 179.01 179.69 2dd4 h GLU 8 N 0.48 0.61 -0.10 2.33 4.81 -0.71 -0.82 114.58 121.18 2dd4 h GLU 8 Ca 0.13 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2dd4 h GLU 8 Cb -0.01 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2dd4 h GLU 8 CO -0.03 0.73 0.05 0.28 -0.73 0.00 0.00 179.01 179.31 2dd4 h VAL 9 N 0.55 1.10 0.00 0.32 2.07 -0.26 0.22 116.25 120.26 2dd4 h VAL 9 Ca 0.10 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 2dd4 h VAL 9 Cb 0.56 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2dd4 h VAL 9 CO 0.04 0.09 -0.40 0.45 0.02 0.00 0.00 177.57 177.77 2dd4 h HIS 10 N 0.05 0.00 -0.40 1.57 3.86 -0.90 -1.09 115.15 118.25 2dd4 h HIS 10 Ca 0.03 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 2dd4 h HIS 10 Cb 0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 2dd4 h HIS 10 CO -0.04 0.40 -0.26 -0.09 0.86 0.00 0.00 177.93 178.79 2dd4 h ARG 11 N 0.00 0.88 0.12 2.45 2.43 -0.86 -2.61 114.38 116.78 2dd4 h ARG 11 Ca -0.00 -0.41 -0.01 0.00 -0.81 0.00 0.00 59.98 58.75 2dd4 h ARG 11 Cb 0.78 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2dd4 h ARG 11 CO 0.05 1.06 -0.06 1.25 -1.51 0.00 0.00 179.97 180.77 2dd4 h HIS 12 N 0.69 -0.14 -0.63 2.20 2.76 -0.47 0.18 115.15 119.74 2dd4 h HIS 12 Ca 0.08 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.39 2dd4 h HIS 12 Cb 0.84 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 2dd4 h HIS 12 CO 0.06 -0.01 0.43 -0.07 -1.30 0.00 0.00 177.93 177.04 2dd4 h LEU 13 N -0.24 0.20 0.11 0.26 3.38 -1.17 -1.17 115.31 116.68 2dd4 h LEU 13 Ca -0.02 0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 2dd4 h LEU 13 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2dd4 h LEU 13 CO 0.03 0.11 -1.52 1.23 0.09 0.00 0.00 178.44 178.38 2dd4 h GLY 14 N 0.22 0.27 1.07 0.83 0.00 -1.12 -3.37 103.07 100.97 2dd4 h GLY 14 Ca 0.30 -0.69 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 2dd4 h GLY 14 CO -0.06 0.61 -0.10 -0.84 0.00 0.00 0.00 176.54 176.15 2dd4 h THR 15 N 0.06 1.27 -0.00 4.70 2.02 0.09 -3.01 112.91 118.05 2dd4 h THR 15 Ca -0.24 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.70 2dd4 h THR 15 Cb 2.01 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 69.42 2dd4 h THR 15 CO 0.16 0.44 0.02 -0.37 0.37 0.00 0.00 175.52 176.14 2dd4 h VAL 16 N 0.86 0.03 -0.07 3.16 -1.51 -1.42 -0.88 116.25 116.41 2dd4 h VAL 16 Ca 0.14 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.56 2dd4 h VAL 16 Cb 0.66 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.79 2dd4 h VAL 16 CO 0.05 0.00 -0.15 0.00 -1.23 0.00 0.00 177.57 176.24 2dd4 h ALA 17 N 1.96 1.62 -0.01 5.19 0.00 -1.71 -1.60 119.26 124.71 2dd4 h ALA 17 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dd4 h ALA 17 Cb 0.04 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dd4 h ALA 17 CO -0.00 0.28 -0.06 -0.07 0.00 0.00 0.00 179.25 179.40 2dd4 h LEU 18 N 0.11 0.01 -1.68 0.00 3.38 -1.33 -2.28 115.31 113.53 2dd4 h LEU 18 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dd4 h LEU 18 Cb 0.33 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2dd4 h LEU 18 CO 0.02 0.08 0.00 0.23 0.09 0.00 0.00 178.44 178.86 2dd4 n MET 19 N -4.46 2.09 -1.67 1.13 2.81 -0.61 -4.95 117.12 111.47 2dd4 n MET 19 Ca -0.03 -1.65 -0.48 0.00 -1.81 0.00 0.00 57.70 53.73 2dd4 n MET 19 Cb 0.14 -1.44 -0.05 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.87 2.13 -1.73 0.03 -0.06 -0.86 -4.90 117.38 112.86 2dd4 n GLN 20 Ca 0.17 0.77 -0.38 0.00 -2.00 0.00 0.00 57.00 55.56 2dd4 n GLN 20 Cb 0.45 -2.67 0.05 0.00 -4.06 0.00 0.00 30.24 24.01 2dd4 n GLN 20 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2dd4 n PRO 21 N 6.85 1.53 -3.46 3.69 -0.02 -1.26 -5.02 135.00 137.30 2dd4 n PRO 21 Ca 0.24 0.57 -0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2dd4 n PRO 21 Cb 0.30 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 2dd4 n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dd4 s ALA 22 N -1.32 -1.59 -0.59 3.55 0.00 -1.26 -5.08 121.76 115.47 2dd4 s ALA 22 Ca 0.74 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.01 2dd4 s ALA 22 Cb -0.41 0.84 0.13 0.00 0.00 0.00 0.00 23.12 23.67 2dd4 s ALA 22 CO 0.48 -0.78 0.60 -0.51 0.00 0.00 0.00 175.76 175.55 2dd4 s LEU 23 N -2.74 5.91 -0.56 0.00 1.43 -1.26 -5.01 118.68 116.46 2dd4 s LEU 23 Ca 0.02 -1.72 -0.19 0.00 -1.03 0.00 0.00 54.13 51.21 2dd4 s LEU 23 Cb -0.01 -2.25 0.09 0.00 0.03 0.00 0.00 46.19 44.05 2dd4 s LEU 23 CO -0.11 -0.94 0.66 -2.28 0.23 0.00 0.00 176.35 173.90 2dd4 s HIS 24 N 1.93 3.04 -0.48 0.29 2.46 -1.26 -5.03 115.29 116.25 2dd4 s HIS 24 Ca 0.08 -0.86 -0.14 0.00 0.47 0.00 0.00 55.06 54.61 2dd4 s HIS 24 Cb -0.26 -3.83 0.09 0.00 -0.13 0.00 0.00 32.58 28.45 2dd4 s HIS 24 CO 0.03 -1.18 0.39 -1.14 -2.47 0.00 0.00 174.74 170.37 2dd4 s GLN 25 N 2.56 2.88 0.39 2.88 0.74 -1.26 -5.06 119.66 122.80 2dd4 s GLN 25 Ca 0.12 -1.47 -0.26 0.00 0.05 0.00 0.00 55.36 53.79 2dd4 s GLN 25 Cb -0.23 -4.09 -0.09 0.00 1.10 0.00 0.00 33.01 29.70 2dd4 s GLN 25 CO 0.08 -1.09 1.28 -0.65 -0.55 0.00 0.00 175.29 174.36 2dd4 s GLN 26 N 1.57 4.03 -0.21 1.67 -0.21 -1.26 -5.01 119.66 120.26 2dd4 s GLN 26 Ca 0.04 2.11 -0.02 0.00 0.02 0.00 0.00 55.36 57.50 2dd4 s GLN 26 Cb -0.25 -2.79 -0.00 0.00 1.00 0.00 0.00 33.01 30.97 2dd4 s GLN 26 CO 0.05 -0.42 -0.09 0.95 -2.12 0.00 0.00 175.29 173.65 2dd4 s THR 27 N -1.27 2.97 -0.66 -0.19 -4.23 -1.26 -5.05 115.64 105.96 2dd4 s THR 27 Ca 0.56 -0.63 0.05 0.00 -1.18 0.00 0.00 61.69 60.49 2dd4 s THR 27 Cb -0.37 -2.33 0.20 0.00 1.34 0.00 0.00 72.50 71.34 2dd4 s THR 27 CO 0.48 0.46 0.57 1.41 -0.54 0.00 0.00 174.62 177.00 2dd4 n HIS 28 N 4.71 3.03 -3.63 3.99 8.25 -1.26 -4.89 115.22 125.41 2dd4 n HIS 28 Ca -0.19 -4.18 -0.28 0.00 -0.26 0.00 0.00 57.72 52.80 2dd4 n HIS 28 Cb 0.51 -0.54 0.04 0.00 1.12 0.00 0.00 29.99 31.11 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 1.64 -2.56 -1.26 -1.41 0.00 -1.26 -4.92 120.51 110.74 2dd4 n ALA 29 Ca 0.24 -0.21 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2dd4 n ALA 29 Cb 0.38 -3.88 0.11 0.00 0.00 0.00 0.00 19.45 16.07 2dd4 n ALA 29 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dd4 n PRO 30 N -3.90 0.41 -1.51 0.00 -0.02 -1.26 -4.98 135.00 123.73 2dd4 n PRO 30 Ca -0.10 0.21 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 2dd4 n PRO 30 Cb 0.59 -2.46 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 2dd4 n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dd4 s ALA 31 N -1.94 2.38 0.43 3.55 0.00 -1.26 -4.91 121.76 120.01 2dd4 s ALA 31 Ca 0.76 0.38 0.15 0.00 0.00 0.00 0.00 51.96 53.26 2dd4 s ALA 31 Cb -0.31 -3.29 1.06 0.00 0.00 0.00 0.00 23.12 20.58 2dd4 s ALA 31 CO 0.48 -1.50 1.95 -1.35 0.00 0.00 0.00 175.76 175.34 2dd4 h PRO 32 N -0.56 0.38 0.00 0.00 0.11 -1.96 0.41 132.00 130.39 2dd4 h PRO 32 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2dd4 h PRO 32 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2dd4 h PRO 32 CO 0.53 0.25 0.00 0.25 -0.21 0.00 0.00 178.00 178.82 2dd4 n THR 33 N -4.47 1.35 1.13 -1.15 -2.24 -1.26 -1.31 114.28 106.32 2dd4 n THR 33 Ca 0.12 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.39 2dd4 n THR 33 Cb 0.47 -1.22 0.19 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.58 1.74 -3.61 -0.78 -0.58 0.14 -4.84 120.64 111.12 2dd4 n GLU 34 Ca 0.02 -1.34 -0.40 0.00 -0.42 0.00 0.00 57.16 55.02 2dd4 n GLU 34 Cb 0.11 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.39 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 -2.18 4.71 0.69 -3.67 -1.09 -0.43 -5.01 121.20 114.22 2dd4 s ILE 35 Ca 0.27 -0.55 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 2dd4 s ILE 35 Cb 0.20 -3.49 0.06 0.00 -1.58 0.00 0.00 42.46 37.65 2dd4 s ILE 35 CO 0.40 -0.06 0.99 0.42 -1.23 0.00 0.00 174.94 175.46 2dd4 s THR 36 N 1.61 2.32 0.28 2.92 -4.23 -1.26 -4.86 115.64 112.42 2dd4 s THR 36 Ca 0.04 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 2dd4 s THR 36 Cb -0.18 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.85 2dd4 s THR 36 CO 0.07 0.00 1.86 -0.74 -0.54 0.00 0.00 174.62 175.27 2dd4 h HIS 37 N -0.52 0.91 -0.44 3.99 2.76 -1.98 0.59 115.15 120.46 2dd4 h HIS 37 Ca -0.44 -0.05 0.01 0.00 -2.20 0.00 0.00 60.37 57.69 2dd4 h HIS 37 Cb 1.31 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 2dd4 h HIS 37 CO 0.30 0.70 0.27 1.15 -1.30 0.00 0.00 177.93 179.06 2dd4 h THR 38 N 0.89 1.07 -0.42 6.26 2.02 -2.00 -0.48 112.91 120.24 2dd4 h THR 38 Ca 0.21 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 67.06 2dd4 h THR 38 Cb 0.18 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 2dd4 h THR 38 CO -0.02 0.10 -0.29 -0.07 0.37 0.00 0.00 175.52 175.62 2dd4 h LEU 39 N 0.55 0.96 -0.34 2.58 3.38 -1.83 -2.22 115.31 118.38 2dd4 h LEU 39 Ca 0.17 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2dd4 h LEU 39 Cb -0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 2dd4 h LEU 39 CO -0.06 1.17 0.11 0.15 0.09 0.00 0.00 178.44 179.90 2dd4 h PHE 40 N 0.78 0.20 -0.78 1.13 3.57 -0.39 0.18 116.94 121.63 2dd4 h PHE 40 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 2dd4 h PHE 40 Cb 0.86 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2dd4 h PHE 40 CO 0.05 0.08 0.28 -0.09 -2.23 0.00 0.00 178.31 176.40 2dd4 h ARG 41 N 0.25 1.18 -0.43 1.11 2.43 -1.03 -0.86 114.38 117.03 2dd4 h ARG 41 Ca 0.16 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 58.99 2dd4 h ARG 41 Cb 0.14 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2dd4 h ARG 41 CO -0.17 0.98 -0.16 0.00 -1.51 0.00 0.00 179.97 179.11 2dd4 h ALA 42 N 1.16 0.90 0.01 2.80 0.00 -0.74 -2.01 119.26 121.38 2dd4 h ALA 42 Ca 0.26 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.60 2dd4 h ALA 42 Cb 0.26 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dd4 h ALA 42 CO -0.02 0.63 -0.93 1.88 0.00 0.00 0.00 179.25 180.81 2dd4 h TYR 43 N 0.72 0.44 -0.40 0.00 0.05 -0.43 -3.27 116.97 114.08 2dd4 h TYR 43 Ca 0.11 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.64 2dd4 h TYR 43 Cb 0.67 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.36 2dd4 h TYR 43 CO 0.04 1.07 0.00 0.25 -1.05 0.00 0.00 178.16 178.47 2dd4 n THR 44 N -3.69 0.54 -0.83 -2.88 -2.24 -0.35 -4.95 114.28 99.88 2dd4 n THR 44 Ca -0.05 -0.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.83 2dd4 n THR 44 Cb 0.83 0.40 0.16 0.00 -2.10 0.00 0.00 70.33 69.61 2dd4 n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dd4 s ARG 45 N -1.46 1.13 -0.32 -0.78 1.70 -0.76 -4.97 118.95 113.48 2dd4 s ARG 45 Ca 0.33 1.37 -0.17 0.00 -0.47 0.00 0.00 55.73 56.79 2dd4 s ARG 45 Cb 0.17 -1.75 -0.01 0.00 -0.57 0.00 0.00 34.95 32.79 2dd4 s ARG 45 CO 0.24 -2.49 0.47 0.14 -1.08 0.00 0.00 175.30 172.57 2dd4 s VAL 46 N -2.70 5.07 0.41 4.99 -7.23 -1.26 -4.97 120.40 114.71 2dd4 s VAL 46 Ca 0.65 0.42 0.26 0.00 -1.81 0.00 0.00 61.98 61.51 2dd4 s VAL 46 Cb -0.21 -3.88 0.44 0.00 0.56 0.00 0.00 36.38 33.28 2dd4 s VAL 46 CO 0.58 -0.09 1.63 -0.65 -0.31 0.00 0.00 175.10 176.25 2dd4 h PRO 47 N 8.35 0.11 0.00 4.82 0.11 -1.82 -2.03 132.00 141.54 2dd4 h PRO 47 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2dd4 h PRO 47 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dd4 h PRO 47 CO 0.73 0.08 0.00 -2.39 -0.21 0.00 0.00 178.00 176.21 2dd4 n HIS 48 N -4.82 0.72 -2.69 0.65 1.44 -1.13 -4.40 115.22 104.99 2dd4 n HIS 48 Ca 0.36 0.28 -0.43 0.00 -2.01 0.00 0.00 57.72 55.92 2dd4 n HIS 48 Cb 1.33 -0.95 0.00 0.00 0.12 0.00 0.00 29.99 30.49 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 -2.15 5.02 -0.37 4.39 2.03 -0.76 -4.70 116.55 120.01 2dd4 n ASP 49 Ca 0.02 -2.94 0.08 0.00 0.52 0.00 0.00 54.79 52.47 2dd4 n ASP 49 Cb 0.23 -1.67 -0.01 0.00 -0.72 0.00 0.00 41.12 38.95 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 5.62 0.00 -1.67 5.18 0.24 -1.26 -4.99 118.33 121.46 2dd4 n VAL 50 Ca 0.44 -0.31 -0.49 0.00 -2.04 0.00 0.00 64.34 61.94 2dd4 n VAL 50 Cb 0.44 1.19 -0.05 0.00 -1.47 0.00 0.00 33.84 33.96 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 1.20 1.13 0.27 7.63 0.00 -1.26 -1.97 105.19 112.19 2dd4 n GLY 51 Ca 0.07 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 3.71 1.20 3.76 -0.02 0.00 -1.26 -5.06 105.19 107.51 2dd4 n GLY 52 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.92 4.48 0.30 1.61 2.02 -0.83 -4.97 118.70 120.39 2dd4 s GLU 53 Ca 0.00 2.01 -0.29 0.00 0.02 0.00 0.00 54.97 56.71 2dd4 s GLU 53 Cb 0.00 -3.15 -0.10 0.00 0.10 0.00 0.00 34.13 30.98 2dd4 s GLU 53 CO 0.00 -0.04 1.35 0.00 0.02 0.00 0.00 175.26 176.58 2dd4 s ALA 54 N -0.84 3.53 0.19 5.21 0.00 -1.26 -5.02 121.76 123.57 2dd4 s ALA 54 Ca 0.49 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.59 2dd4 s ALA 54 Cb -0.36 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.27 2dd4 s ALA 54 CO 0.45 -0.68 0.43 0.34 0.00 0.00 0.00 175.76 176.30 2dd4 s ASP 55 N -0.20 -0.13 0.59 0.00 -1.08 -1.26 -5.18 116.67 109.40 2dd4 s ASP 55 Ca 0.52 -0.65 -0.01 0.00 -0.52 0.00 0.00 52.55 51.89 2dd4 s ASP 55 Cb -0.40 0.53 0.04 0.00 -1.46 0.00 0.00 42.92 41.62 2dd4 s ASP 55 CO 0.50 -1.00 0.83 0.68 0.52 0.00 0.00 175.17 176.70 2dd4 s VAL 56 N -3.92 2.68 0.20 1.11 -7.23 -1.26 -5.07 120.40 106.91 2dd4 s VAL 56 Ca 0.13 -0.53 -0.26 0.00 -1.81 0.00 0.00 61.98 59.51 2dd4 s VAL 56 Cb 0.01 -3.04 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 2dd4 s VAL 56 CO -0.01 -0.04 0.82 -2.84 -0.31 0.00 0.00 175.10 172.72 2dd4 s PRO 57 N -4.88 4.59 0.02 4.82 0.02 -1.26 -5.06 135.00 133.26 2dd4 s PRO 57 Ca 0.57 1.21 0.02 0.00 0.02 0.00 0.00 61.00 62.82 2dd4 s PRO 57 Cb -0.10 -3.18 -0.02 0.00 0.02 0.00 0.00 34.50 31.22 2dd4 s PRO 57 CO 0.40 0.52 -0.06 0.96 -0.33 0.00 0.00 177.00 178.49 2dd4 s ILE 58 N -1.24 0.44 -0.76 2.83 -0.00 -1.26 -5.07 121.20 116.15 2dd4 s ILE 58 Ca 0.39 -0.72 -0.26 0.00 -0.00 0.00 0.00 60.65 60.06 2dd4 s ILE 58 Cb -0.23 -0.47 0.00 0.00 -0.00 0.00 0.00 42.46 41.77 2dd4 s ILE 58 CO 0.27 -0.20 1.63 -0.70 -0.00 0.00 0.00 174.94 175.94 2dd4 s GLU 59 N -0.99 2.93 0.34 0.37 2.12 -1.26 -4.94 118.70 117.26 2dd4 s GLU 59 Ca -0.06 -0.05 -0.28 0.00 0.36 0.00 0.00 54.97 54.94 2dd4 s GLU 59 Cb -0.07 -4.57 -0.13 0.00 0.26 0.00 0.00 34.13 29.63 2dd4 s GLU 59 CO 0.00 -2.58 1.17 0.66 -0.54 0.00 0.00 175.26 173.98 2dd4 n TYR 60 N 11.32 1.85 -4.28 5.30 4.01 -1.26 -5.01 117.16 129.09 2dd4 n TYR 60 Ca 0.20 0.60 -0.15 0.00 -0.16 0.00 0.00 57.90 58.38 2dd4 n TYR 60 Cb 0.50 -2.34 -0.10 0.00 -0.31 0.00 0.00 39.34 37.09 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 -1.11 1.39 0.41 -0.72 -3.43 -1.26 -5.15 115.29 105.42 2dd4 s HIS 61 Ca 0.57 -0.77 0.02 0.00 -0.80 0.00 0.00 55.06 54.09 2dd4 s HIS 61 Cb -0.61 -0.72 -0.01 0.00 -1.43 0.00 0.00 32.58 29.82 2dd4 s HIS 61 CO 0.61 0.09 0.60 -1.21 -2.00 0.00 0.00 174.74 172.84 2dd4 s GLU 62 N -3.76 3.11 -0.02 -0.38 0.41 -1.26 -5.11 118.70 111.69 2dd4 s GLU 62 Ca 0.20 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 2dd4 s GLU 62 Cb 0.03 -2.64 0.03 0.00 -1.78 0.00 0.00 34.13 29.76 2dd4 s GLU 62 CO 0.03 -0.14 0.02 0.21 -0.49 0.00 0.00 175.26 174.89 2dd4 s LYS 63 N -4.43 0.08 0.58 1.61 2.20 -1.26 -5.13 119.74 113.39 2dd4 s LYS 63 Ca 0.47 0.15 -0.20 0.00 -0.36 0.00 0.00 55.97 56.02 2dd4 s LYS 63 Cb -0.10 -0.33 -0.04 0.00 -1.51 0.00 0.00 37.83 35.86 2dd4 s LYS 63 CO 0.36 -0.16 1.30 0.39 -0.36 0.00 0.00 175.35 176.88 2dd4 n GLU 64 N 4.16 1.44 -2.86 4.03 1.02 -1.26 -4.95 120.64 122.22 2dd4 n GLU 64 Ca -0.28 0.54 -0.41 0.00 -0.02 0.00 0.00 57.16 57.00 2dd4 n GLU 64 Cb 0.50 -2.51 -0.04 0.00 -0.02 0.00 0.00 31.44 29.37 2dd4 n GLU 64 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2dd4 s GLU 65 N -3.00 4.53 0.32 3.49 2.12 -1.26 -5.05 118.70 119.86 2dd4 s GLU 65 Ca 0.75 1.21 -0.20 0.00 0.36 0.00 0.00 54.97 57.09 2dd4 s GLU 65 Cb -0.41 -3.43 -0.09 0.00 0.26 0.00 0.00 34.13 30.46 2dd4 s GLU 65 CO 0.46 0.07 0.83 -1.21 -0.54 0.00 0.00 175.26 174.88 2dd4 s GLU 66 N 0.65 4.26 0.21 4.30 0.41 -1.26 -4.96 118.70 122.31 2dd4 s GLU 66 Ca 0.45 0.99 -0.09 0.00 -0.41 0.00 0.00 54.97 55.90 2dd4 s GLU 66 Cb -0.20 -2.57 0.25 0.00 -1.78 0.00 0.00 34.13 29.82 2dd4 s GLU 66 CO 0.24 0.20 1.79 0.82 -0.49 0.00 0.00 175.26 177.83 2dd4 h ILE 67 N 2.30 0.92 0.00 -1.63 1.08 -2.00 -0.91 117.51 117.27 2dd4 h ILE 67 Ca -0.48 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 63.75 2dd4 h ILE 67 Cb 1.18 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2dd4 h ILE 67 CO 0.64 0.11 -0.17 4.11 -0.69 0.00 0.00 178.15 182.15 2dd4 h TRP 68 N 0.60 0.00 -0.29 1.37 5.08 -1.99 -1.56 115.95 119.17 2dd4 h TRP 68 Ca 0.30 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 60.08 2dd4 h TRP 68 Cb 0.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.40 2dd4 h TRP 68 CO -0.10 0.17 -0.53 0.93 -1.28 0.00 0.00 178.44 177.63 2dd4 h GLU 69 N 0.00 0.87 -0.33 0.12 5.08 -1.57 -0.41 114.58 118.34 2dd4 h GLU 69 Ca -0.00 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2dd4 h GLU 69 Cb 0.43 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2dd4 h GLU 69 CO 0.02 1.19 0.19 -0.07 -1.00 0.00 0.00 179.01 179.34 2dd4 h LEU 70 N 0.65 0.40 -0.73 1.33 3.38 -0.72 -1.43 115.31 118.19 2dd4 h LEU 70 Ca 0.01 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2dd4 h LEU 70 Cb 1.14 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2dd4 h LEU 70 CO 0.12 0.35 -0.05 0.78 0.09 0.00 0.00 178.44 179.73 2dd4 h ASN 71 N 0.42 0.90 -0.45 -0.43 2.35 -1.23 -2.14 115.58 115.00 2dd4 h ASN 71 Ca 0.12 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 2dd4 h ASN 71 Cb 0.03 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 2dd4 h ASN 71 CO -0.02 0.99 0.19 0.74 -1.65 0.00 0.00 177.43 177.68 2dd4 h THR 72 N 0.84 1.20 -0.44 2.81 2.02 -0.87 0.79 112.91 119.26 2dd4 h THR 72 Ca 0.15 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2dd4 h THR 72 Cb 0.57 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2dd4 h THR 72 CO 0.03 0.22 0.28 0.15 0.37 0.00 0.00 175.52 176.57 2dd4 h PHE 73 N 0.58 0.56 -0.71 3.16 3.57 -1.13 -0.43 116.94 122.54 2dd4 h PHE 73 Ca 0.15 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2dd4 h PHE 73 Cb 0.17 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 2dd4 h PHE 73 CO -0.00 0.37 0.16 0.00 -2.23 0.00 0.00 178.31 176.62 2dd4 h ALA 74 N 1.14 0.95 -0.54 2.41 0.00 -1.16 -2.02 119.26 120.04 2dd4 h ALA 74 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2dd4 h ALA 74 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2dd4 h ALA 74 CO -0.03 0.67 0.24 1.15 0.00 0.00 0.00 179.25 181.28 2dd4 h THR 75 N 1.08 1.21 -0.53 0.00 2.02 -0.41 -0.28 112.91 115.99 2dd4 h THR 75 Ca 0.22 -0.60 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 2dd4 h THR 75 Cb 0.39 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2dd4 h THR 75 CO 0.00 0.24 0.02 0.00 0.37 0.00 0.00 175.52 176.15 2dd4 h GLU 77 N 0.80 0.25 -0.22 0.00 4.39 -1.25 -2.64 114.58 115.91 2dd4 h GLU 77 Ca 0.15 -0.15 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 2dd4 h GLU 77 Cb 0.50 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2dd4 h GLU 77 CO 0.02 0.72 -0.54 0.00 -1.16 0.00 0.00 179.01 178.05 2dd4 h LEU 79 N 0.50 0.70 -0.06 0.00 3.38 -1.06 -0.31 115.31 118.47 2dd4 h LEU 79 Ca 0.01 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2dd4 h LEU 79 Cb 1.10 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2dd4 h LEU 79 CO 0.11 0.71 -0.33 0.00 0.09 0.00 0.00 178.44 179.02 2dd4 h ALA 80 N 1.38 0.12 -0.60 1.53 0.00 -1.27 0.28 119.26 120.69 2dd4 h ALA 80 Ca 0.16 -0.45 0.12 0.00 0.00 0.00 0.00 54.91 54.74 2dd4 h ALA 80 Cb 0.31 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2dd4 h ALA 80 CO 0.00 0.19 0.05 2.35 0.00 0.00 0.00 179.25 181.84 2dd4 h TRP 81 N -0.18 0.05 -0.22 0.00 7.01 -0.35 -0.38 115.95 121.88 2dd4 h TRP 81 Ca -0.03 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 2dd4 h TRP 81 Cb 0.99 0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 28.12 2dd4 h TRP 81 CO 0.13 -0.12 0.02 0.54 -2.79 0.00 0.00 178.44 176.22 2dd4 n ARG 82 N -5.22 2.37 -1.34 2.65 5.12 -0.15 -4.92 116.66 115.18 2dd4 n ARG 82 Ca 0.09 -1.16 -0.12 0.00 -1.93 0.00 0.00 57.85 54.73 2dd4 n ARG 82 Cb 0.34 -1.76 -0.05 0.00 -1.16 0.00 0.00 32.46 29.83 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 0.21 1.28 0.13 -0.13 0.00 -0.15 -4.89 105.19 101.63 2dd4 n GLY 83 Ca 0.11 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 1.48 -2.54 1.61 2.07 -0.66 -3.47 116.25 114.74 2dd4 h VAL 84 Ca -0.24 -2.38 0.14 0.00 0.82 0.00 0.00 66.70 65.04 2dd4 h VAL 84 Cb 0.78 2.28 -0.08 0.00 -1.52 0.00 0.00 31.29 32.75 2dd4 h VAL 84 CO 0.35 0.69 0.41 -1.66 0.02 0.00 0.00 177.57 177.37 2dd4 s TRP 85 N -3.43 -0.17 0.34 1.57 -2.14 -1.23 -5.01 118.94 108.86 2dd4 s TRP 85 Ca -0.02 -0.16 0.07 0.00 2.66 0.00 0.00 56.10 58.64 2dd4 s TRP 85 Cb 0.11 0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 31.12 2dd4 s TRP 85 CO 0.80 -0.93 0.39 0.95 -2.66 0.00 0.00 176.95 175.50 2dd4 s THR 86 N -3.46 3.84 0.36 0.66 -4.23 -1.26 -4.07 115.64 107.47 2dd4 s THR 86 Ca 0.11 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 2dd4 s THR 86 Cb -0.03 -3.31 0.21 0.00 1.34 0.00 0.00 72.50 70.71 2dd4 s THR 86 CO 0.02 -0.16 1.96 0.00 -0.54 0.00 0.00 174.62 175.90 2dd4 h ALA 87 N 1.05 1.50 -0.72 3.99 0.00 -1.97 -2.35 119.26 120.77 2dd4 h ALA 87 Ca -0.45 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 2dd4 h ALA 87 Cb 1.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2dd4 h ALA 87 CO 0.55 0.39 0.19 0.93 0.00 0.00 0.00 179.25 181.30 2dd4 h GLU 88 N 0.60 1.14 -0.82 0.00 4.39 -1.99 0.66 114.58 118.56 2dd4 h GLU 88 Ca 0.15 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2dd4 h GLU 88 Cb 0.12 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 2dd4 h GLU 88 CO -0.01 0.99 0.46 0.93 -1.16 0.00 0.00 179.01 180.22 2dd4 h GLU 89 N 1.08 1.14 -0.26 2.33 5.08 -1.85 -0.92 114.58 121.18 2dd4 h GLU 89 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2dd4 h GLU 89 Cb 0.36 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dd4 h GLU 89 CO 0.00 0.83 0.09 -0.09 -1.00 0.00 0.00 179.01 178.85 2dd4 h ARG 90 N 1.14 0.40 -0.53 2.33 2.43 -0.87 -1.72 114.38 117.57 2dd4 h ARG 90 Ca 0.29 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2dd4 h ARG 90 Cb 0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2dd4 h ARG 90 CO -0.05 0.45 0.33 0.00 -1.51 0.00 0.00 179.97 179.19 2dd4 h ARG 91 N 0.27 0.65 -0.41 0.20 3.08 -0.54 0.40 114.38 118.03 2dd4 h ARG 91 Ca 0.09 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 2dd4 h ARG 91 Cb 0.21 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2dd4 h ARG 91 CO -0.01 0.43 0.25 -0.09 -1.07 0.00 0.00 179.97 179.48 2dd4 h ARG 92 N 0.67 0.55 -0.24 0.04 1.12 -1.05 0.20 114.38 115.68 2dd4 h ARG 92 Ca 0.20 -0.05 -0.19 0.00 -1.11 0.00 0.00 59.98 58.83 2dd4 h ARG 92 Cb -0.02 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 29.82 2dd4 h ARG 92 CO -0.07 0.41 -0.61 0.87 -3.11 0.00 0.00 179.97 177.45 2dd4 h LYS 93 N 0.54 0.81 0.16 0.20 1.57 -0.95 -0.45 116.57 118.44 2dd4 h LYS 93 Ca 0.15 -0.55 -0.21 0.00 -1.87 0.00 0.00 60.65 58.17 2dd4 h LYS 93 Cb -0.00 0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.41 2dd4 h LYS 93 CO -0.03 1.18 -0.92 0.37 -0.57 0.00 0.00 179.45 179.47 2dd4 h GLN 94 N 0.60 0.33 -0.02 3.15 4.15 -0.10 -3.10 115.11 120.13 2dd4 h GLN 94 Ca -0.00 -0.56 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2dd4 h GLN 94 Cb 1.22 0.21 0.00 0.00 0.21 0.00 0.00 27.48 29.12 2dd4 h GLN 94 CO 0.13 1.27 -0.39 0.09 -1.93 0.00 0.00 178.83 178.00 2dd4 n ASN 95 N -4.07 2.14 0.05 -0.69 3.02 0.69 -4.48 115.26 111.92 2dd4 n ASN 95 Ca -0.15 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 52.83 2dd4 n ASN 95 Cb 0.86 0.39 0.00 0.00 -0.61 0.00 0.00 39.78 40.42 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 0.37 0.00 5.19 -1.08 -2.06 116.42 118.84 2dd4 h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dd4 h ASP 97 Cb 0.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.77 2dd4 h ASP 97 CO 0.00 0.00 0.00 -0.37 -3.12 0.00 0.00 179.24 175.75 2dd4 h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.76 -3.48 116.25 108.14 2dd4 h VAL 98 Ca 0.07 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2dd4 h VAL 98 Cb 0.35 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 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 -0.67 -1.12 0.24 5.19 0.00 -0.78 -4.33 105.19 103.72 2dd4 n GLY 99 Ca -0.02 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.03 0.54 1.61 5.75 -1.94 0.55 115.11 121.59 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 28.56 2dd4 h GLN 100 CO 0.00 -0.02 -0.26 1.15 -2.65 0.00 0.00 178.83 177.05 2dd4 h THR 101 N -0.03 0.45 -0.71 2.39 2.02 -2.00 -2.92 112.91 112.11 2dd4 h THR 101 Ca 0.26 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 2dd4 h THR 101 Cb 0.43 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2dd4 h THR 101 CO -0.58 0.02 0.20 0.58 0.37 0.00 0.00 175.52 176.11 2dd4 h VAL 102 N -0.80 1.26 -1.00 3.16 2.07 -1.73 0.14 116.25 119.34 2dd4 h VAL 102 Ca -0.07 -0.93 0.22 0.00 0.82 0.00 0.00 66.70 66.73 2dd4 h VAL 102 Cb 0.59 0.51 -0.11 0.00 -1.52 0.00 0.00 31.29 30.75 2dd4 h VAL 102 CO 0.12 0.36 0.61 0.22 0.02 0.00 0.00 177.57 178.90 2dd4 h TYR 103 N 1.06 1.03 0.00 1.57 3.20 -0.82 -1.87 116.97 121.15 2dd4 h TYR 103 Ca 0.23 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2dd4 h TYR 103 Cb 0.34 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2dd4 h TYR 103 CO 0.03 0.16 -1.10 1.28 -1.64 0.00 0.00 178.16 176.88 2dd4 n LEU 104 N -4.81 0.26 0.04 2.82 4.77 -1.11 -4.61 117.00 114.36 2dd4 n LEU 104 Ca 0.25 -0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2dd4 n LEU 104 Cb 0.66 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 2dd4 n LEU 104 CO 0.19 0.07 -0.12 1.23 -1.33 0.00 0.00 177.39 177.43 2dd4 h GLY 105 N 2.52 0.00 -2.43 -0.72 0.00 -0.44 -3.47 103.07 98.53 2dd4 h GLY 105 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2dd4 h GLY 105 CO 0.00 0.00 -0.28 1.06 0.00 0.00 0.00 176.54 177.32 2dd4 s MET 106 N -2.78 2.81 0.58 4.80 -1.94 -0.73 -5.04 119.30 117.00 2dd4 s MET 106 Ca -0.01 -1.26 -0.15 0.00 -1.71 0.00 0.00 55.69 52.56 2dd4 s MET 106 Cb 0.09 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 34.16 2dd4 s MET 106 CO 0.81 -0.24 1.03 -2.14 -0.01 0.00 0.00 175.02 174.46 2dd4 s PRO 107 N -4.31 3.55 0.07 2.03 0.02 -1.26 -4.92 135.00 130.17 2dd4 s PRO 107 Ca 0.54 1.04 -0.17 0.00 0.02 0.00 0.00 61.00 62.42 2dd4 s PRO 107 Cb -0.09 -2.07 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 2dd4 s PRO 107 CO 0.32 -0.61 1.28 -0.92 -0.33 0.00 0.00 177.00 176.74 2dd4 h TYR 108 N 0.43 -0.87 0.00 6.54 3.20 -1.97 -0.64 116.97 123.66 2dd4 h TYR 108 Ca -0.46 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2dd4 h TYR 108 Cb 1.20 0.41 0.00 0.00 1.54 0.00 0.00 36.73 39.88 2dd4 h TYR 108 CO 0.62 -0.25 0.00 1.88 -1.64 0.00 0.00 178.16 178.77 2dd4 h TYR 109 N -0.20 0.00 -0.40 -3.82 0.05 -1.99 -2.04 116.97 108.57 2dd4 h TYR 109 Ca 0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.71 2dd4 h TYR 109 Cb 0.30 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.03 2dd4 h TYR 109 CO -0.66 0.00 -0.18 0.78 -1.05 0.00 0.00 178.16 177.05 2dd4 h GLY 110 N 1.82 0.83 1.32 3.88 0.00 -1.51 -1.25 103.07 108.16 2dd4 h GLY 110 Ca 0.00 -0.68 -0.18 0.00 0.00 0.00 0.00 47.33 46.47 2dd4 h GLY 110 CO 0.00 0.62 -0.59 3.21 0.00 0.00 0.00 176.54 179.78 2dd4 h ARG 111 N 0.68 0.70 -0.18 4.80 3.08 -0.63 -1.50 114.38 121.33 2dd4 h ARG 111 Ca 0.10 -0.47 0.04 0.00 0.07 0.00 0.00 59.98 59.72 2dd4 h ARG 111 Cb 0.68 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.76 2dd4 h ARG 111 CO 0.05 1.09 -0.05 -1.49 -1.07 0.00 0.00 179.97 178.50 2dd4 h TRP 112 N 0.52 -0.11 -0.06 3.04 4.06 -1.28 -0.78 115.95 121.34 2dd4 h TRP 112 Ca -0.00 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 60.96 2dd4 h TRP 112 Cb 1.18 0.08 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2dd4 h TRP 112 CO 0.06 -0.09 0.03 1.25 -3.56 0.00 0.00 178.44 176.13 2dd4 h LEU 113 N -0.01 0.08 -1.12 -4.49 5.85 -1.14 -0.83 115.31 113.65 2dd4 h LEU 113 Ca 0.09 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2dd4 h LEU 113 Cb 0.15 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2dd4 h LEU 113 CO -0.19 0.19 0.60 -0.07 -0.34 0.00 0.00 178.44 178.63 2dd4 h LEU 114 N -0.03 0.95 -0.68 2.25 3.38 -1.14 -1.76 115.31 118.29 2dd4 h LEU 114 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2dd4 h LEU 114 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2dd4 h LEU 114 CO -0.00 0.62 -0.63 0.74 0.09 0.00 0.00 178.44 179.26 2dd4 h THR 115 N 1.08 1.40 -0.56 0.22 2.02 -0.88 -1.03 112.91 115.17 2dd4 h THR 115 Ca 0.39 -2.20 -0.09 0.00 0.77 0.00 0.00 66.41 65.28 2dd4 h THR 115 Cb 0.15 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 2dd4 h THR 115 CO -0.14 0.62 0.00 0.00 0.37 0.00 0.00 175.52 176.37 2dd4 h ALA 116 N 1.37 0.75 -0.18 6.16 0.00 -0.31 -0.80 119.26 126.26 2dd4 h ALA 116 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2dd4 h ALA 116 Cb 1.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2dd4 h ALA 116 CO 0.08 0.58 -0.34 0.00 0.00 0.00 0.00 179.25 179.57 2dd4 h ALA 117 N 0.96 1.07 -0.27 0.00 0.00 -1.20 -3.10 119.26 116.72 2dd4 h ALA 117 Ca 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 2dd4 h ALA 117 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dd4 h ALA 117 CO 0.03 0.58 0.02 -0.09 0.00 0.00 0.00 179.25 179.78 2dd4 h ARG 118 N 0.33 0.47 -0.49 0.00 9.65 -0.60 -2.92 114.38 120.82 2dd4 h ARG 118 Ca 0.04 -0.14 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2dd4 h ARG 118 Cb 0.76 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.27 2dd4 h ARG 118 CO 0.06 0.61 0.22 0.97 2.80 0.00 0.00 179.97 184.63 2dd4 h ILE 119 N 0.26 1.17 -0.86 1.20 6.09 -1.12 0.34 117.51 124.61 2dd4 h ILE 119 Ca 0.08 -0.51 -0.03 0.00 -1.37 0.00 0.00 64.86 63.04 2dd4 h ILE 119 Cb 0.39 0.57 -0.04 0.00 0.47 0.00 0.00 36.82 38.21 2dd4 h ILE 119 CO 0.01 0.20 0.43 -0.07 -3.07 0.00 0.00 178.15 175.65 2dd4 h LEU 120 N 0.68 1.11 0.07 2.19 3.38 -1.46 -1.86 115.31 119.42 2dd4 h LEU 120 Ca 0.17 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2dd4 h LEU 120 Cb 0.10 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.58 2dd4 h LEU 120 CO -0.02 0.92 -0.46 0.58 0.09 0.00 0.00 178.44 179.55 2dd4 h VAL 121 N 1.21 1.61 -0.73 1.22 2.07 -1.18 0.12 116.25 120.57 2dd4 h VAL 121 Ca 0.30 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2dd4 h VAL 121 Cb 0.10 3.17 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 2dd4 h VAL 121 CO -0.04 0.65 0.47 0.44 0.02 0.00 0.00 177.57 179.12 2dd4 h ASP 122 N -0.57 0.85 -0.48 0.57 3.32 -0.32 -1.22 116.42 118.56 2dd4 h ASP 122 Ca -0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2dd4 h ASP 122 Cb 1.33 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2dd4 h ASP 122 CO 0.09 0.62 0.00 0.29 -1.72 0.00 0.00 179.24 178.52 2dd4 n LYS 123 N -4.42 2.61 -3.13 3.56 5.02 -0.70 -4.95 118.16 116.15 2dd4 n LYS 123 Ca 0.08 -1.92 -0.22 0.00 -2.02 0.00 0.00 58.31 54.22 2dd4 n LYS 123 Cb 0.04 -1.58 0.02 0.00 -0.02 0.00 0.00 35.03 33.49 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 0.83 -4.27 0.19 1.97 6.02 -0.46 -4.86 117.38 116.79 2dd4 n GLN 124 Ca 0.18 0.74 0.12 0.00 -0.01 0.00 0.00 57.00 58.03 2dd4 n GLN 124 Cb 0.56 -5.54 0.19 0.00 1.02 0.00 0.00 30.24 26.47 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 -1.19 0.00 -3.09 1.08 0.04 -1.02 -3.44 116.94 109.32 2dd4 h PHE 125 Ca -0.49 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.16 2dd4 h PHE 125 Cb 1.33 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 39.28 2dd4 h PHE 125 CO 0.59 0.00 -0.31 0.14 -0.60 0.00 0.00 178.31 178.13 2dd4 s VAL 126 N -3.20 0.05 0.48 -0.55 -7.23 -1.00 -5.04 120.40 103.91 2dd4 s VAL 126 Ca 0.07 -0.45 -0.06 0.00 -1.81 0.00 0.00 61.98 59.74 2dd4 s VAL 126 Cb 0.07 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.40 2dd4 s VAL 126 CO 0.67 -0.25 0.79 0.42 -0.31 0.00 0.00 175.10 176.42 2dd4 s THR 127 N -1.16 4.90 0.49 5.32 -4.23 -1.26 -4.17 115.64 115.53 2dd4 s THR 127 Ca -0.12 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 60.78 2dd4 s THR 127 Cb -0.05 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 70.17 2dd4 s THR 127 CO 0.03 -0.83 2.09 0.25 -0.54 0.00 0.00 174.62 175.62 2dd4 h LEU 128 N 0.29 0.00 -0.52 4.79 5.85 -1.96 -1.51 115.31 122.25 2dd4 h LEU 128 Ca -0.47 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2dd4 h LEU 128 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2dd4 h LEU 128 CO 0.62 0.08 0.16 0.74 -0.34 0.00 0.00 178.44 179.70 2dd4 h THR 129 N 0.00 1.23 -0.45 1.05 2.02 -1.99 0.13 112.91 114.90 2dd4 h THR 129 Ca -0.00 -0.77 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 2dd4 h THR 129 Cb 0.13 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2dd4 h THR 129 CO 0.01 0.29 0.05 -0.33 0.37 0.00 0.00 175.52 175.91 2dd4 h GLU 130 N 0.71 0.71 -0.05 6.66 5.08 -1.67 0.11 114.58 126.12 2dd4 h GLU 130 Ca 0.17 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2dd4 h GLU 130 Cb 0.27 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2dd4 h GLU 130 CO -0.01 0.69 -0.03 1.25 -1.00 0.00 0.00 179.01 179.91 2dd4 h LEU 131 N 0.68 0.11 -0.67 1.33 5.85 -0.89 -0.47 115.31 121.26 2dd4 h LEU 131 Ca 0.14 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2dd4 h LEU 131 Cb 0.34 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2dd4 h LEU 131 CO 0.01 0.51 0.40 0.45 -0.34 0.00 0.00 178.44 179.47 2dd4 h HIS 132 N -0.28 0.75 -0.68 1.25 3.86 -0.53 -1.09 115.15 118.43 2dd4 h HIS 132 Ca 0.01 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 2dd4 h HIS 132 Cb 0.47 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 2dd4 h HIS 132 CO 0.07 0.41 0.21 -0.91 0.86 0.00 0.00 177.93 178.57 2dd4 h ASN 133 N 0.78 0.99 -0.66 2.45 2.35 -0.71 -2.20 115.58 118.57 2dd4 h ASN 133 Ca 0.28 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 2dd4 h ASN 133 Cb 0.07 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2dd4 h ASN 133 CO -0.13 0.94 0.25 0.50 -1.65 0.00 0.00 177.43 177.34 2dd4 h LYS 134 N 0.99 1.02 -0.56 0.81 1.63 -0.54 -0.19 116.57 119.73 2dd4 h LYS 134 Ca 0.22 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2dd4 h LYS 134 Cb 0.30 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 2dd4 h LYS 134 CO -0.01 0.85 0.31 0.82 -3.45 0.00 0.00 179.45 177.97 2dd4 h ILE 135 N 1.00 1.19 -0.44 2.00 2.04 -0.86 -0.21 117.51 122.22 2dd4 h ILE 135 Ca 0.23 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 2dd4 h ILE 135 Cb 0.22 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2dd4 h ILE 135 CO -0.02 0.20 0.25 0.58 0.00 0.00 0.00 178.15 179.16 2dd4 h VAL 136 N 0.76 1.15 -0.64 1.67 2.07 -0.92 -2.01 116.25 118.34 2dd4 h VAL 136 Ca 0.20 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.39 2dd4 h VAL 136 Cb 0.05 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2dd4 h VAL 136 CO -0.03 0.16 0.35 -0.08 0.02 0.00 0.00 177.57 177.99 2dd4 h GLU 137 N 0.58 0.64 -0.36 1.57 4.81 -0.43 0.08 114.58 121.47 2dd4 h GLU 137 Ca 0.16 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 2dd4 h GLU 137 Cb 0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2dd4 h GLU 137 CO -0.03 0.42 0.18 0.52 -0.73 0.00 0.00 179.01 179.38 2dd4 h MET 138 N 0.66 0.52 -0.44 1.92 2.86 -0.75 -0.05 114.93 119.64 2dd4 h MET 138 Ca 0.28 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 2dd4 h MET 138 Cb 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2dd4 h MET 138 CO -0.17 0.45 0.26 0.00 1.06 0.00 0.00 176.91 178.51 2dd4 h ARG 139 N 0.45 0.60 -0.71 1.72 3.08 -0.81 -1.93 114.38 116.77 2dd4 h ARG 139 Ca 0.12 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 2dd4 h ARG 139 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2dd4 h ARG 139 CO -0.02 0.45 0.25 0.93 -1.07 0.00 0.00 179.97 180.51 2dd4 h GLU 140 N 0.58 1.08 -0.79 0.04 5.08 -0.83 0.76 114.58 120.50 2dd4 h GLU 140 Ca 0.16 -0.21 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2dd4 h GLU 140 Cb 0.01 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 2dd4 h GLU 140 CO -0.03 0.90 0.49 -0.09 -1.00 0.00 0.00 179.01 179.28 2dd4 h ARG 141 N 1.05 0.91 -0.04 2.33 2.43 -0.59 0.35 114.38 120.82 2dd4 h ARG 141 Ca 0.24 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2dd4 h ARG 141 Cb 0.25 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2dd4 h ARG 141 CO -0.01 0.60 -0.05 0.28 -1.51 0.00 0.00 179.97 179.28 2dd4 h VAL 142 N 0.94 1.38 -0.72 0.20 2.07 -0.81 -0.19 116.25 119.13 2dd4 h VAL 142 Ca 0.33 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2dd4 h VAL 142 Cb 0.07 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2dd4 h VAL 142 CO -0.13 0.33 0.44 0.00 0.02 0.00 0.00 177.57 178.23 2dd4 h ALA 143 N 0.53 0.95 0.00 1.67 0.00 -0.49 -0.94 119.26 120.98 2dd4 h ALA 143 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2dd4 h ALA 143 Cb 0.56 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dd4 h ALA 143 CO 0.01 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 2dd4 n SER 144 N -4.68 0.00 -0.04 0.00 3.41 0.12 -4.87 113.62 107.57 2dd4 n SER 144 Ca 0.08 0.35 -0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2dd4 n SER 144 Cb 0.11 -0.43 -0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 0.19 0.39 0.37 5.00 0.00 -0.36 -4.92 105.19 105.86 2dd4 n GLY 145 Ca 0.05 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.29 1.50 0.00 1.61 6.02 -0.10 -4.63 117.38 119.49 2dd4 n GLN 146 Ca -0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.24 2dd4 n GLN 146 Cb 0.19 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 30.03 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 1.08 -1.28 2.76 1.08 0.00 -1.23 -4.37 105.19 103.23 2dd4 n GLY 147 Ca 0.18 -1.60 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 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 -3.20 -0.11 0.00 0.99 1.98 0.16 -4.21 118.68 114.29 2dd4 s LEU 148 Ca 0.00 -1.67 0.00 0.00 -2.89 0.00 0.00 54.13 49.57 2dd4 s LEU 148 Cb 0.00 0.64 0.00 0.00 0.66 0.00 0.00 46.19 47.49 2dd4 s LEU 148 CO 0.00 -0.23 0.00 0.61 -1.89 0.00 0.00 176.35 174.84 2dd4 n GLY 149 N 4.06 1.97 0.22 7.98 0.00 -1.26 -1.39 105.19 116.78 2dd4 n GLY 149 Ca 0.13 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 12.43 1.31 0.07 1.61 0.28 -1.26 -3.77 120.64 131.31 2dd4 n GLU 150 Ca 0.00 -0.45 -0.16 0.00 -0.16 0.00 0.00 57.16 56.39 2dd4 n GLU 150 Cb 0.00 -1.46 -0.14 0.00 1.43 0.00 0.00 31.44 31.27 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 1.06 0.44 -2.81 -1.84 0.05 -1.68 -3.46 116.97 108.73 2dd4 h TYR 151 Ca 0.00 -0.32 -0.19 0.00 0.05 0.00 0.00 58.73 58.27 2dd4 h TYR 151 Cb 0.23 -0.02 -0.31 0.00 1.01 0.00 0.00 36.73 37.64 2dd4 h TYR 151 CO 0.01 1.34 -0.49 -1.17 -1.05 0.00 0.00 178.16 176.80 2dd4 s LEU 152 N -6.99 -0.29 0.55 3.88 2.96 -0.83 -4.96 118.68 113.01 2dd4 s LEU 152 Ca -0.08 0.66 -0.18 0.00 -0.22 0.00 0.00 54.13 54.32 2dd4 s LEU 152 Cb 0.07 0.83 -0.06 0.00 0.50 0.00 0.00 46.19 47.54 2dd4 s LEU 152 CO 0.86 -0.23 1.07 -2.16 -1.32 0.00 0.00 176.35 174.57 2dd4 s PRO 153 N 2.31 3.46 0.00 0.98 0.04 -1.26 0.36 135.00 140.89 2dd4 s PRO 153 Ca -0.01 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2dd4 s PRO 153 Cb -0.12 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2dd4 s PRO 153 CO -0.09 -0.71 0.47 -2.30 0.04 0.00 0.00 177.00 174.41