#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxc h SER 4 N 0.00 0.33 -0.09 -3.46 0.87 -2.05 -1.87 113.55 107.28 2dxc h SER 4 Ca 0.00 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 2dxc h SER 4 Cb 0.00 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2dxc h SER 4 CO 0.00 0.60 0.00 0.40 -0.53 0.00 0.00 176.83 177.30 2dxc h ILE 5 N 0.30 1.25 -0.80 2.23 1.08 -2.05 -1.81 117.51 117.70 2dxc h ILE 5 Ca 0.05 -0.79 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2dxc h ILE 5 Cb 0.62 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.93 2dxc h ILE 5 CO 0.04 0.22 0.53 0.03 -0.69 0.00 0.00 178.15 178.28 2dxc h ARG 6 N -0.12 1.04 -0.94 2.37 2.47 -1.96 0.44 114.38 117.69 2dxc h ARG 6 Ca 0.03 -0.06 0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2dxc h ARG 6 Cb 0.34 -0.23 -0.06 0.00 -1.65 0.00 0.00 29.97 28.37 2dxc h ARG 6 CO 0.00 0.69 0.61 0.93 0.56 0.00 0.00 179.97 182.76 2dxc h GLU 7 N 1.07 1.13 -0.30 0.04 5.08 -1.23 -0.21 114.58 120.17 2dxc h GLU 7 Ca 0.30 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 2dxc h GLU 7 Cb -0.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 2dxc h GLU 7 CO -0.07 0.75 -0.35 1.49 -1.00 0.00 0.00 179.01 179.83 2dxc h GLU 8 N 1.16 0.67 -0.12 2.33 4.81 -0.38 -1.17 114.58 121.88 2dxc h GLU 8 Ca 0.38 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2dxc h GLU 8 Cb 0.04 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2dxc h GLU 8 CO -0.13 0.92 0.06 0.28 -0.73 0.00 0.00 179.01 179.41 2dxc h VAL 9 N 0.56 1.09 -0.23 0.32 2.07 0.05 -0.09 116.25 120.02 2dxc h VAL 9 Ca 0.06 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 2dxc h VAL 9 Cb 0.86 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2dxc h VAL 9 CO 0.07 0.08 -0.29 0.45 0.02 0.00 0.00 177.57 177.91 2dxc h HIS 10 N 0.10 0.53 -0.42 1.57 3.86 -1.00 -0.79 115.15 119.00 2dxc h HIS 10 Ca 0.04 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.05 2dxc h HIS 10 Cb 0.08 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2dxc h HIS 10 CO -0.04 0.71 -0.06 -0.09 0.86 0.00 0.00 177.93 179.31 2dxc h ARG 11 N 0.41 0.71 0.08 2.45 2.43 -1.00 -2.18 114.38 117.28 2dxc h ARG 11 Ca 0.05 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2dxc h ARG 11 Cb 0.72 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2dxc h ARG 11 CO 0.06 0.76 -0.04 1.25 -1.51 0.00 0.00 179.97 180.49 2dxc h HIS 12 N 0.65 -0.10 -0.47 2.20 2.76 -0.42 -0.80 115.15 118.97 2dxc h HIS 12 Ca 0.12 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.39 2dxc h HIS 12 Cb 0.50 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2dxc h HIS 12 CO 0.02 0.15 0.33 -0.07 -1.30 0.00 0.00 177.93 177.06 2dxc h LEU 13 N -0.35 0.19 0.08 0.26 3.38 -0.98 -1.07 115.31 116.81 2dxc h LEU 13 Ca -0.01 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.70 2dxc h LEU 13 Cb 0.30 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2dxc h LEU 13 CO 0.02 0.12 -1.22 1.23 0.09 0.00 0.00 178.44 178.67 2dxc h GLY 14 N 0.21 0.20 1.13 0.83 0.00 -1.18 -3.36 103.07 100.89 2dxc h GLY 14 Ca 0.22 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.86 2dxc h GLY 14 CO -0.04 0.45 -0.51 -0.84 0.00 0.00 0.00 176.54 175.59 2dxc h THR 15 N 0.05 1.28 0.00 4.70 2.02 0.05 -3.15 112.91 117.85 2dxc h THR 15 Ca -0.11 -1.70 -0.00 0.00 0.77 0.00 0.00 66.41 65.36 2dxc h THR 15 Cb 1.92 1.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2dxc h THR 15 CO 0.17 0.55 -0.02 -0.37 0.37 0.00 0.00 175.52 176.23 2dxc h VAL 16 N 0.65 0.25 0.00 3.16 -1.51 -1.42 -1.11 116.25 116.27 2dxc h VAL 16 Ca 0.02 -0.13 -0.02 0.00 -1.23 0.00 0.00 66.70 65.34 2dxc h VAL 16 Cb 1.12 1.10 -0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2dxc h VAL 16 CO 0.12 0.02 -0.10 0.00 -1.23 0.00 0.00 177.57 176.37 2dxc h ALA 17 N 1.98 1.67 0.00 5.19 0.00 -1.70 -0.90 119.26 125.51 2dxc h ALA 17 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2dxc h ALA 17 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2dxc h ALA 17 CO 0.00 0.13 -0.21 -0.07 0.00 0.00 0.00 179.25 179.10 2dxc h LEU 18 N 0.00 0.00 -2.03 0.00 3.38 -1.37 -2.74 115.31 112.55 2dxc h LEU 18 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dxc h LEU 18 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2dxc h LEU 18 CO 0.01 0.21 0.00 0.23 0.09 0.00 0.00 178.44 178.98 2dxc n MET 19 N -3.74 2.31 -1.68 1.13 2.81 -0.35 -4.95 117.12 112.65 2dxc n MET 19 Ca -0.01 -2.00 -0.50 0.00 -1.81 0.00 0.00 57.70 53.38 2dxc n MET 19 Cb 0.32 -1.47 -0.05 0.00 -0.71 0.00 0.00 33.22 31.31 2dxc n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dxc n GLN 20 N 1.17 2.00 -1.77 0.03 -0.06 -1.04 -4.89 117.38 112.81 2dxc n GLN 20 Ca 0.19 0.73 -0.38 0.00 -2.00 0.00 0.00 57.00 55.54 2dxc n GLN 20 Cb 0.51 -2.54 0.05 0.00 -4.06 0.00 0.00 30.24 24.20 2dxc n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dxc s PRO 21 N 3.60 2.97 0.16 3.69 0.02 -1.26 -5.02 135.00 139.16 2dxc s PRO 21 Ca 0.92 2.18 -0.23 0.00 0.02 0.00 0.00 61.00 63.89 2dxc s PRO 21 Cb -0.75 -2.13 0.07 0.00 0.02 0.00 0.00 34.50 31.70 2dxc s PRO 21 CO 0.52 -1.31 0.66 0.00 -0.33 0.00 0.00 177.00 176.55 2dxc s ALA 22 N -1.33 -1.57 -0.53 -1.55 0.00 -1.26 -5.09 121.76 110.43 2dxc s ALA 22 Ca 0.75 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.97 2dxc s ALA 22 Cb -0.40 0.82 0.13 0.00 0.00 0.00 0.00 23.12 23.67 2dxc s ALA 22 CO 0.45 -0.81 0.48 -0.51 0.00 0.00 0.00 175.76 175.37 2dxc s LEU 23 N -2.75 6.11 -0.52 0.00 1.43 -1.26 -5.02 118.68 116.67 2dxc s LEU 23 Ca 0.03 -1.79 -0.19 0.00 -1.03 0.00 0.00 54.13 51.15 2dxc s LEU 23 Cb -0.02 -2.18 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2dxc s LEU 23 CO -0.09 -0.83 0.62 -2.28 0.23 0.00 0.00 176.35 174.00 2dxc s HIS 24 N 1.57 3.05 -0.47 0.29 2.46 -1.26 -5.03 115.29 115.90 2dxc s HIS 24 Ca 0.03 -0.62 -0.12 0.00 0.47 0.00 0.00 55.06 54.82 2dxc s HIS 24 Cb -0.29 -3.58 0.10 0.00 -0.13 0.00 0.00 32.58 28.68 2dxc s HIS 24 CO 0.03 -1.05 0.36 -1.14 -2.47 0.00 0.00 174.74 170.47 2dxc s GLN 25 N 2.57 2.71 0.41 2.88 0.74 -1.26 -5.06 119.66 122.65 2dxc s GLN 25 Ca 0.14 -1.60 -0.26 0.00 0.05 0.00 0.00 55.36 53.69 2dxc s GLN 25 Cb -0.20 -4.00 -0.09 0.00 1.10 0.00 0.00 33.01 29.82 2dxc s GLN 25 CO 0.11 -1.13 1.31 -0.65 -0.55 0.00 0.00 175.29 174.37 2dxc s GLN 26 N 1.48 3.96 -0.21 1.67 -0.21 -1.26 -5.00 119.66 120.08 2dxc s GLN 26 Ca 0.04 2.16 -0.02 0.00 0.02 0.00 0.00 55.36 57.56 2dxc s GLN 26 Cb -0.26 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 31.01 2dxc s GLN 26 CO 0.02 -0.50 -0.09 0.95 -2.12 0.00 0.00 175.29 173.55 2dxc s THR 27 N -1.26 2.92 -0.67 -0.19 -4.23 -1.26 -5.05 115.64 105.90 2dxc s THR 27 Ca 0.57 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 60.44 2dxc s THR 27 Cb -0.38 -2.33 0.19 0.00 1.34 0.00 0.00 72.50 71.32 2dxc s THR 27 CO 0.49 0.43 0.54 1.41 -0.54 0.00 0.00 174.62 176.95 2dxc n HIS 28 N 4.73 2.97 -3.63 3.99 8.25 -1.26 -4.90 115.22 125.37 2dxc n HIS 28 Ca -0.19 -4.20 -0.29 0.00 -0.26 0.00 0.00 57.72 52.79 2dxc n HIS 28 Cb 0.50 -0.54 0.04 0.00 1.12 0.00 0.00 29.99 31.11 2dxc n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dxc n ALA 29 N 1.77 -2.56 -1.22 -1.41 0.00 -1.26 -4.93 120.51 110.90 2dxc n ALA 29 Ca 0.23 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2dxc n ALA 29 Cb 0.38 -3.93 0.10 0.00 0.00 0.00 0.00 19.45 16.00 2dxc n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dxc s PRO 30 N -5.66 1.99 0.75 0.00 0.04 -1.26 -4.99 135.00 125.86 2dxc s PRO 30 Ca 0.43 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.94 2dxc s PRO 30 Cb -0.15 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2dxc s PRO 30 CO 0.85 -1.91 1.10 0.00 0.04 0.00 0.00 177.00 177.08 2dxc s ALA 31 N -2.30 2.28 0.49 8.56 0.00 -1.26 -4.90 121.76 124.64 2dxc s ALA 31 Ca 0.70 0.36 0.22 0.00 0.00 0.00 0.00 51.96 53.24 2dxc s ALA 31 Cb -0.25 -3.30 1.27 0.00 0.00 0.00 0.00 23.12 20.85 2dxc s ALA 31 CO 0.49 -1.68 1.96 -1.35 0.00 0.00 0.00 175.76 175.19 2dxc h PRO 32 N -0.83 0.15 0.00 0.00 0.11 -1.96 0.56 132.00 130.03 2dxc h PRO 32 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dxc h PRO 32 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2dxc h PRO 32 CO 0.52 0.10 0.00 0.25 -0.21 0.00 0.00 178.00 178.66 2dxc n THR 33 N -4.41 0.98 1.05 -1.15 -2.24 -1.26 -1.88 114.28 105.37 2dxc n THR 33 Ca 0.12 0.39 0.12 0.00 -2.27 0.00 0.00 64.05 62.41 2dxc n THR 33 Cb 0.59 -1.32 0.21 0.00 -2.10 0.00 0.00 70.33 67.70 2dxc n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dxc n GLU 34 N -2.12 2.18 -3.62 -0.78 -0.58 0.19 -4.83 120.64 111.08 2dxc n GLU 34 Ca 0.01 -1.73 -0.40 0.00 -0.42 0.00 0.00 57.16 54.62 2dxc n GLU 34 Cb 0.15 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.44 2dxc n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dxc s ILE 35 N -1.95 4.53 0.69 -3.67 -1.09 -0.79 -5.01 121.20 113.92 2dxc s ILE 35 Ca 0.31 -0.76 -0.06 0.00 -2.23 0.00 0.00 60.65 57.92 2dxc s ILE 35 Cb 0.20 -3.47 0.06 0.00 -1.58 0.00 0.00 42.46 37.67 2dxc s ILE 35 CO 0.31 -0.15 0.99 0.42 -1.23 0.00 0.00 174.94 175.28 2dxc s THR 36 N 1.56 2.31 0.28 2.92 -4.23 -1.26 -4.86 115.64 112.36 2dxc s THR 36 Ca 0.02 -0.32 -0.02 0.00 -1.18 0.00 0.00 61.69 60.19 2dxc s THR 36 Cb -0.19 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.87 2dxc s THR 36 CO 0.06 0.00 1.89 -0.74 -0.54 0.00 0.00 174.62 175.29 2dxc h HIS 37 N -0.53 0.99 -0.51 3.99 2.76 -1.99 -0.16 115.15 119.70 2dxc h HIS 37 Ca -0.44 -0.04 0.02 0.00 -2.20 0.00 0.00 60.37 57.71 2dxc h HIS 37 Cb 1.31 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 2dxc h HIS 37 CO 0.31 0.71 0.32 1.15 -1.30 0.00 0.00 177.93 179.12 2dxc h THR 38 N 0.99 1.09 -0.29 6.26 2.02 -2.00 -0.86 112.91 120.13 2dxc h THR 38 Ca 0.24 -0.22 -0.13 0.00 0.77 0.00 0.00 66.41 67.07 2dxc h THR 38 Cb 0.09 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 2dxc h THR 38 CO -0.03 0.12 -0.37 -0.07 0.37 0.00 0.00 175.52 175.54 2dxc h LEU 39 N 0.64 0.69 -0.15 2.58 3.38 -1.81 -1.94 115.31 118.70 2dxc h LEU 39 Ca 0.20 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2dxc h LEU 39 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2dxc h LEU 39 CO -0.07 0.99 0.10 0.15 0.09 0.00 0.00 178.44 179.70 2dxc h PHE 40 N 0.55 0.20 -0.47 1.13 3.57 -0.61 0.10 116.94 121.41 2dxc h PHE 40 Ca 0.05 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2dxc h PHE 40 Cb 0.88 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 2dxc h PHE 40 CO 0.04 0.15 0.07 -0.09 -2.23 0.00 0.00 178.31 176.25 2dxc h ARG 41 N 0.19 0.74 -0.31 1.11 2.43 -1.09 -0.90 114.38 116.55 2dxc h ARG 41 Ca 0.06 -0.16 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 2dxc h ARG 41 Cb 0.01 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2dxc h ARG 41 CO -0.01 0.70 -0.21 0.00 -1.51 0.00 0.00 179.97 178.94 2dxc h ALA 42 N 1.37 0.44 -0.19 2.80 0.00 -0.93 -2.33 119.26 120.43 2dxc h ALA 42 Ca 0.15 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2dxc h ALA 42 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2dxc h ALA 42 CO 0.01 0.39 -0.50 1.88 0.00 0.00 0.00 179.25 181.02 2dxc h TYR 43 N 0.44 0.63 -0.51 0.00 0.99 -0.60 -3.13 116.97 114.78 2dxc h TYR 43 Ca 0.06 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.58 2dxc h TYR 43 Cb 0.76 -0.13 0.00 0.00 1.00 0.00 0.00 36.73 38.36 2dxc h TYR 43 CO 0.07 0.91 0.00 0.25 -0.00 0.00 0.00 178.16 179.39 2dxc n THR 44 N -3.97 0.79 -0.79 -2.88 -2.24 -0.36 -4.95 114.28 99.88 2dxc n THR 44 Ca -0.03 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 2dxc n THR 44 Cb 0.57 0.30 0.17 0.00 -2.10 0.00 0.00 70.33 69.27 2dxc n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxc s ARG 45 N -1.37 0.74 -0.34 -0.78 1.70 -0.88 -4.97 118.95 113.04 2dxc s ARG 45 Ca 0.35 1.26 -0.18 0.00 -0.47 0.00 0.00 55.73 56.69 2dxc s ARG 45 Cb 0.19 -1.72 -0.01 0.00 -0.57 0.00 0.00 34.95 32.85 2dxc s ARG 45 CO 0.23 -2.73 0.51 0.14 -1.08 0.00 0.00 175.30 172.36 2dxc s VAL 46 N -2.67 5.03 0.38 4.99 -7.23 -1.26 -4.97 120.40 114.66 2dxc s VAL 46 Ca 0.66 0.35 0.22 0.00 -1.81 0.00 0.00 61.98 61.40 2dxc s VAL 46 Cb -0.22 -3.95 0.38 0.00 0.56 0.00 0.00 36.38 33.15 2dxc s VAL 46 CO 0.59 -0.19 1.60 -0.65 -0.31 0.00 0.00 175.10 176.14 2dxc h PRO 47 N 8.44 0.08 0.00 4.82 0.11 -1.82 -2.22 132.00 141.40 2dxc h PRO 47 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2dxc h PRO 47 Cb 1.13 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dxc h PRO 47 CO 0.77 0.05 0.00 -2.39 -0.21 0.00 0.00 178.00 176.22 2dxc n HIS 48 N -5.10 0.76 -2.65 0.65 1.44 -1.15 -4.47 115.22 104.71 2dxc n HIS 48 Ca 0.37 0.28 -0.43 0.00 -2.01 0.00 0.00 57.72 55.93 2dxc n HIS 48 Cb 1.27 -0.96 -0.00 0.00 0.12 0.00 0.00 29.99 30.42 2dxc n HIS 48 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2dxc s ASP 49 N -4.18 6.84 0.00 4.39 2.15 -0.84 -4.72 116.67 120.31 2dxc s ASP 49 Ca 0.06 -2.44 0.13 0.00 0.43 0.00 0.00 52.55 50.73 2dxc s ASP 49 Cb 0.10 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.24 2dxc s ASP 49 CO 0.42 -1.13 0.85 1.33 -0.17 0.00 0.00 175.17 176.47 2dxc n VAL 50 N 6.13 0.00 -1.70 1.11 0.24 -1.26 -4.99 118.33 117.87 2dxc n VAL 50 Ca 0.45 -0.46 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 2dxc n VAL 50 Cb 0.46 1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 34.03 2dxc n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dxc n GLY 51 N 0.83 1.46 0.12 7.63 0.00 -1.26 -2.06 105.19 111.92 2dxc n GLY 51 Ca 0.07 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2dxc n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxc n GLY 52 N 3.92 1.38 3.77 -0.02 0.00 -1.26 -5.06 105.19 107.92 2dxc n GLY 52 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 2dxc n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dxc s GLU 53 N -0.96 4.41 0.37 1.61 2.02 -0.87 -4.98 118.70 120.29 2dxc s GLU 53 Ca 0.00 1.97 -0.27 0.00 0.02 0.00 0.00 54.97 56.70 2dxc s GLU 53 Cb 0.00 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 2dxc s GLU 53 CO 0.00 -0.05 1.19 0.00 0.02 0.00 0.00 175.26 176.42 2dxc s ALA 54 N -1.21 3.27 0.18 5.21 0.00 -1.26 -5.03 121.76 122.93 2dxc s ALA 54 Ca 0.49 1.03 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 2dxc s ALA 54 Cb -0.35 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.41 2dxc s ALA 54 CO 0.45 -0.50 0.51 0.34 0.00 0.00 0.00 175.76 176.56 2dxc s ASP 55 N -0.94 -0.27 0.57 0.00 -1.08 -1.26 -5.18 116.67 108.50 2dxc s ASP 55 Ca 0.53 -0.44 -0.00 0.00 -0.52 0.00 0.00 52.55 52.12 2dxc s ASP 55 Cb -0.33 0.56 0.03 0.00 -1.46 0.00 0.00 42.92 41.73 2dxc s ASP 55 CO 0.42 -1.02 0.80 0.68 0.52 0.00 0.00 175.17 176.58 2dxc s VAL 56 N -3.86 2.77 0.12 1.11 -7.23 -1.26 -5.06 120.40 106.99 2dxc s VAL 56 Ca 0.08 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 2dxc s VAL 56 Cb -0.00 -3.06 -0.06 0.00 0.56 0.00 0.00 36.38 33.81 2dxc s VAL 56 CO -0.05 -0.05 0.92 -2.84 -0.31 0.00 0.00 175.10 172.77 2dxc s PRO 57 N -4.82 4.68 0.06 4.82 0.02 -1.26 -5.05 135.00 133.45 2dxc s PRO 57 Ca 0.57 1.38 0.05 0.00 0.02 0.00 0.00 61.00 63.02 2dxc s PRO 57 Cb -0.10 -3.36 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 2dxc s PRO 57 CO 0.39 0.27 -0.15 0.96 -0.33 0.00 0.00 177.00 178.15 2dxc s ILE 58 N -0.19 1.19 -0.72 2.83 -0.00 -1.26 -5.07 121.20 117.98 2dxc s ILE 58 Ca 0.44 -1.19 -0.27 0.00 -0.00 0.00 0.00 60.65 59.64 2dxc s ILE 58 Cb -0.23 -1.11 0.02 0.00 -0.00 0.00 0.00 42.46 41.14 2dxc s ILE 58 CO 0.29 -0.09 1.45 -0.70 -0.00 0.00 0.00 174.94 175.88 2dxc s GLU 59 N -1.47 3.05 0.28 0.37 2.12 -1.26 -4.95 118.70 116.84 2dxc s GLU 59 Ca 0.01 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 2dxc s GLU 59 Cb -0.09 -4.30 -0.13 0.00 0.26 0.00 0.00 34.13 29.88 2dxc s GLU 59 CO 0.02 -2.32 1.41 0.66 -0.54 0.00 0.00 175.26 174.49 2dxc n TYR 60 N 10.31 2.36 -4.44 5.30 4.01 -1.26 -5.01 117.16 128.44 2dxc n TYR 60 Ca 0.09 0.43 -0.21 0.00 -0.16 0.00 0.00 57.90 58.05 2dxc n TYR 60 Cb 0.50 -2.48 -0.10 0.00 -0.31 0.00 0.00 39.34 36.95 2dxc n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dxc s HIS 61 N -0.37 1.97 0.30 -0.72 -3.43 -1.26 -5.15 115.29 106.63 2dxc s HIS 61 Ca 0.63 -0.71 0.05 0.00 -0.80 0.00 0.00 55.06 54.24 2dxc s HIS 61 Cb -0.59 -1.14 -0.02 0.00 -1.43 0.00 0.00 32.58 29.40 2dxc s HIS 61 CO 0.53 0.28 0.44 -1.21 -2.00 0.00 0.00 174.74 172.78 2dxc s GLU 62 N -3.73 3.28 -0.02 -0.38 0.41 -1.26 -5.12 118.70 111.89 2dxc s GLU 62 Ca 0.30 -0.81 -0.00 0.00 -0.41 0.00 0.00 54.97 54.05 2dxc s GLU 62 Cb 0.04 -2.82 0.03 0.00 -1.78 0.00 0.00 34.13 29.60 2dxc s GLU 62 CO 0.12 0.21 0.03 0.21 -0.49 0.00 0.00 175.26 175.34 2dxc s LYS 63 N -4.13 -0.03 0.50 1.61 2.20 -1.26 -5.13 119.74 113.50 2dxc s LYS 63 Ca 0.40 0.18 -0.23 0.00 -0.36 0.00 0.00 55.97 55.96 2dxc s LYS 63 Cb -0.09 -0.22 -0.06 0.00 -1.51 0.00 0.00 37.83 35.94 2dxc s LYS 63 CO 0.31 -0.16 1.35 -1.21 -0.36 0.00 0.00 175.35 175.28 2dxc s GLU 64 N 0.99 3.44 0.04 4.03 2.02 -1.26 -4.96 118.70 123.01 2dxc s GLU 64 Ca -0.08 2.22 -0.29 0.00 0.02 0.00 0.00 54.97 56.83 2dxc s GLU 64 Cb -0.12 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 2dxc s GLU 64 CO -0.03 -0.95 0.95 -2.00 0.02 0.00 0.00 175.26 173.25 2dxc s GLU 65 N -2.70 4.61 0.37 1.61 2.12 -1.26 -5.04 118.70 118.41 2dxc s GLU 65 Ca 0.66 1.39 -0.20 0.00 0.36 0.00 0.00 54.97 57.18 2dxc s GLU 65 Cb -0.40 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.47 2dxc s GLU 65 CO 0.48 0.08 0.87 -1.21 -0.54 0.00 0.00 175.26 174.95 2dxc s GLU 66 N 0.52 4.21 0.25 4.30 0.41 -1.26 -4.96 118.70 122.17 2dxc s GLU 66 Ca 0.48 1.00 -0.05 0.00 -0.41 0.00 0.00 54.97 55.99 2dxc s GLU 66 Cb -0.22 -2.38 0.33 0.00 -1.78 0.00 0.00 34.13 30.08 2dxc s GLU 66 CO 0.28 0.09 1.88 0.82 -0.49 0.00 0.00 175.26 177.84 2dxc h ILE 67 N 2.07 1.12 0.00 -1.63 2.04 -2.00 -1.10 117.51 118.01 2dxc h ILE 67 Ca -0.48 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2dxc h ILE 67 Cb 1.18 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2dxc h ILE 67 CO 0.63 0.21 -0.21 4.11 0.00 0.00 0.00 178.15 182.88 2dxc h TRP 68 N 1.13 0.00 -0.23 1.37 5.08 -1.99 -1.56 115.95 119.76 2dxc h TRP 68 Ca 0.39 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 60.22 2dxc h TRP 68 Cb 0.08 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.24 2dxc h TRP 68 CO -0.01 0.21 -0.39 0.93 -1.28 0.00 0.00 178.44 177.90 2dxc h GLU 69 N 0.00 0.66 -0.66 0.12 5.08 -1.60 0.17 114.58 118.35 2dxc h GLU 69 Ca -0.00 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2dxc h GLU 69 Cb 0.54 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 2dxc h GLU 69 CO 0.03 1.03 0.20 1.25 -1.00 0.00 0.00 179.01 180.52 2dxc h LEU 70 N 0.37 0.97 -0.81 1.33 5.85 -1.03 -1.19 115.31 120.80 2dxc h LEU 70 Ca 0.02 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 2dxc h LEU 70 Cb 0.99 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2dxc h LEU 70 CO 0.09 0.92 -0.02 0.78 -0.34 0.00 0.00 178.44 179.87 2dxc h ASN 71 N 0.96 0.85 -0.35 1.25 -0.26 -1.21 -2.13 115.58 114.69 2dxc h ASN 71 Ca 0.21 -0.23 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 2dxc h ASN 71 Cb 0.30 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2dxc h ASN 71 CO -0.01 0.92 0.03 0.74 -1.06 0.00 0.00 177.43 178.06 2dxc h THR 72 N 0.81 1.25 -0.32 2.81 2.02 -0.61 -1.17 112.91 117.69 2dxc h THR 72 Ca 0.15 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2dxc h THR 72 Cb 0.51 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 2dxc h THR 72 CO 0.03 0.30 0.21 0.15 0.37 0.00 0.00 175.52 176.58 2dxc h PHE 73 N 0.42 0.40 -0.60 3.16 3.57 -1.11 -0.86 116.94 121.92 2dxc h PHE 73 Ca 0.10 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.63 2dxc h PHE 73 Cb 0.40 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2dxc h PHE 73 CO 0.03 0.26 0.39 0.00 -2.23 0.00 0.00 178.31 176.76 2dxc h ALA 74 N 1.11 0.77 -0.36 2.41 0.00 -1.27 -1.60 119.26 120.33 2dxc h ALA 74 Ca 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2dxc h ALA 74 Cb -0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2dxc h ALA 74 CO -0.02 0.16 0.23 1.15 0.00 0.00 0.00 179.25 180.77 2dxc h THR 75 N 0.78 1.09 -0.59 0.00 2.02 -0.82 0.11 112.91 115.50 2dxc h THR 75 Ca 0.23 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2dxc h THR 75 Cb -0.04 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 2dxc h THR 75 CO -0.07 0.09 0.26 0.00 0.37 0.00 0.00 175.52 176.16 2dxc h GLU 77 N 0.82 0.54 -0.49 0.00 4.39 -1.10 -2.66 114.58 116.08 2dxc h GLU 77 Ca 0.20 -0.31 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 2dxc h GLU 77 Cb 0.17 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2dxc h GLU 77 CO -0.02 0.90 -0.15 0.00 -1.16 0.00 0.00 179.01 178.58 2dxc h LEU 79 N 0.83 0.73 -0.07 0.00 3.38 -0.93 -0.45 115.31 118.81 2dxc h LEU 79 Ca 0.12 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2dxc h LEU 79 Cb 0.70 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2dxc h LEU 79 CO 0.05 0.65 -0.71 0.00 0.09 0.00 0.00 178.44 178.52 2dxc h ALA 80 N 1.47 0.18 -0.73 1.53 0.00 -1.14 0.77 119.26 121.33 2dxc h ALA 80 Ca 0.19 -0.58 0.10 0.00 0.00 0.00 0.00 54.91 54.63 2dxc h ALA 80 Cb 0.13 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2dxc h ALA 80 CO -0.02 0.51 0.36 2.35 0.00 0.00 0.00 179.25 182.44 2dxc h TRP 81 N 0.22 0.63 -0.35 0.00 7.01 -0.23 -1.93 115.95 121.31 2dxc h TRP 81 Ca -0.07 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2dxc h TRP 81 Cb 1.36 -0.17 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 2dxc h TRP 81 CO 0.11 0.20 0.00 0.54 -2.79 0.00 0.00 178.44 176.51 2dxc n ARG 82 N -4.88 3.19 -1.02 2.65 5.12 -0.21 -4.94 116.66 116.57 2dxc n ARG 82 Ca 0.12 -1.83 -0.01 0.00 -1.93 0.00 0.00 57.85 54.20 2dxc n ARG 82 Cb 0.31 -1.90 -0.00 0.00 -1.16 0.00 0.00 32.46 29.71 2dxc n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxc n GLY 83 N 0.44 0.45 0.22 -0.13 0.00 -0.73 -4.92 105.19 100.53 2dxc n GLY 83 Ca 0.16 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 2dxc n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dxc h VAL 84 N 0.00 1.30 -2.66 1.61 2.07 -1.07 -3.47 116.25 114.03 2dxc h VAL 84 Ca -0.01 -1.52 0.11 0.00 0.82 0.00 0.00 66.70 66.10 2dxc h VAL 84 Cb 0.18 1.58 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 2dxc h VAL 84 CO 0.02 0.47 0.36 -1.66 0.02 0.00 0.00 177.57 176.77 2dxc s TRP 85 N -4.23 -0.22 0.31 1.57 -2.14 -1.24 -5.02 118.94 107.98 2dxc s TRP 85 Ca -0.06 -0.12 0.06 0.00 2.66 0.00 0.00 56.10 58.64 2dxc s TRP 85 Cb 0.13 0.65 -0.02 0.00 -3.10 0.00 0.00 33.47 31.13 2dxc s TRP 85 CO 0.80 -0.96 0.39 0.95 -2.66 0.00 0.00 176.95 175.47 2dxc s THR 86 N -3.57 4.22 0.40 0.66 -4.23 -1.26 -4.10 115.64 107.76 2dxc s THR 86 Ca 0.10 -1.10 0.08 0.00 -1.18 0.00 0.00 61.69 59.59 2dxc s THR 86 Cb -0.03 -3.45 0.23 0.00 1.34 0.00 0.00 72.50 70.59 2dxc s THR 86 CO 0.01 -0.21 2.01 0.00 -0.54 0.00 0.00 174.62 175.90 2dxc h ALA 87 N 1.06 1.64 -0.59 3.99 0.00 -1.96 -2.10 119.26 121.29 2dxc h ALA 87 Ca -0.47 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2dxc h ALA 87 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2dxc h ALA 87 CO 0.56 0.29 0.06 0.93 0.00 0.00 0.00 179.25 181.09 2dxc h GLU 88 N 0.44 0.98 -0.78 0.00 4.39 -1.99 0.20 114.58 117.82 2dxc h GLU 88 Ca 0.11 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.51 2dxc h GLU 88 Cb 0.09 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 2dxc h GLU 88 CO -0.01 0.93 0.34 0.93 -1.16 0.00 0.00 179.01 180.03 2dxc h GLU 89 N 0.92 1.14 -0.02 2.33 5.08 -1.79 -1.84 114.58 120.40 2dxc h GLU 89 Ca 0.18 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2dxc h GLU 89 Cb 0.45 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2dxc h GLU 89 CO 0.02 0.91 0.01 -0.09 -1.00 0.00 0.00 179.01 178.86 2dxc h ARG 90 N 1.11 0.03 -0.47 2.33 2.43 -0.78 -2.00 114.38 117.04 2dxc h ARG 90 Ca 0.26 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 2dxc h ARG 90 Cb 0.18 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2dxc h ARG 90 CO -0.03 0.07 0.21 0.00 -1.51 0.00 0.00 179.97 178.71 2dxc h ARG 91 N -0.01 0.40 -0.42 0.20 3.08 -0.73 0.50 114.38 117.40 2dxc h ARG 91 Ca 0.01 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2dxc h ARG 91 Cb 0.05 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2dxc h ARG 91 CO -0.00 0.27 0.25 -0.09 -1.07 0.00 0.00 179.97 179.32 2dxc h ARG 92 N 0.41 0.49 -0.21 0.04 1.12 -1.22 0.33 114.38 115.35 2dxc h ARG 92 Ca 0.21 -0.03 -0.15 0.00 -1.11 0.00 0.00 59.98 58.90 2dxc h ARG 92 Cb 0.16 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.01 2dxc h ARG 92 CO -0.17 0.32 -0.44 0.87 -3.11 0.00 0.00 179.97 177.44 2dxc h LYS 93 N 0.50 0.67 0.00 0.20 1.57 -0.92 -0.81 116.57 117.79 2dxc h LYS 93 Ca 0.17 -0.44 -0.18 0.00 -1.87 0.00 0.00 60.65 58.33 2dxc h LYS 93 Cb 0.00 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.39 2dxc h LYS 93 CO -0.07 1.06 -0.69 0.37 -0.57 0.00 0.00 179.45 179.55 2dxc h GLN 94 N 0.38 0.46 -0.01 3.15 4.15 0.15 -3.12 115.11 120.26 2dxc h GLN 94 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2dxc h GLN 94 Cb 1.05 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2dxc h GLN 94 CO 0.10 1.15 -0.52 0.09 -1.93 0.00 0.00 178.83 177.72 2dxc n ASN 95 N -4.15 1.82 0.06 -0.69 3.02 0.11 -4.53 115.26 110.90 2dxc n ASN 95 Ca -0.11 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.03 2dxc n ASN 95 Cb 0.71 0.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.43 2dxc n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dxc h ASP 97 N 0.00 0.00 0.37 0.00 3.32 -1.15 -1.69 116.42 117.27 2dxc h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dxc h ASP 97 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2dxc h ASP 97 CO 0.00 0.00 0.00 -0.37 -1.72 0.00 0.00 179.24 177.15 2dxc h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.78 -3.48 116.25 108.13 2dxc h VAL 98 Ca 0.08 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2dxc h VAL 98 Cb 0.44 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2dxc h VAL 98 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2dxc n GLY 99 N -0.68 -1.54 0.32 5.19 0.00 -0.64 -4.34 105.19 103.51 2dxc n GLY 99 Ca -0.01 -1.49 -0.05 0.00 0.00 0.00 0.00 46.02 44.46 2dxc n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxc h GLN 100 N 0.00 -0.15 0.38 1.61 5.75 -1.94 -0.83 115.11 119.93 2dxc h GLN 100 Ca 0.00 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2dxc h GLN 100 Cb 0.00 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 2dxc h GLN 100 CO 0.00 -0.10 -0.23 1.15 -2.65 0.00 0.00 178.83 177.00 2dxc h THR 101 N -0.16 0.52 -0.42 2.39 2.02 -2.00 -2.88 112.91 112.38 2dxc h THR 101 Ca 0.23 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 2dxc h THR 101 Cb 0.53 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2dxc h THR 101 CO -0.64 0.00 -0.08 0.58 0.37 0.00 0.00 175.52 175.75 2dxc h VAL 102 N -0.58 1.25 -0.98 3.16 2.07 -1.73 0.12 116.25 119.55 2dxc h VAL 102 Ca -0.04 -1.09 0.16 0.00 0.82 0.00 0.00 66.70 66.54 2dxc h VAL 102 Cb 0.48 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 31.16 2dxc h VAL 102 CO 0.04 0.37 0.59 0.22 0.02 0.00 0.00 177.57 178.82 2dxc h TYR 103 N 0.67 1.05 0.00 1.57 3.20 -0.98 -2.20 116.97 120.29 2dxc h TYR 103 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2dxc h TYR 103 Cb 0.53 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2dxc h TYR 103 CO 0.03 0.31 -0.81 1.28 -1.64 0.00 0.00 178.16 177.32 2dxc n LEU 104 N -4.73 0.36 0.02 2.82 4.77 -1.10 -4.60 117.00 114.54 2dxc n LEU 104 Ca 0.21 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.75 2dxc n LEU 104 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.43 2dxc n LEU 104 CO 0.23 0.09 -0.24 1.23 -1.33 0.00 0.00 177.39 177.38 2dxc h GLY 105 N 2.43 0.04 -2.77 -0.72 0.00 -0.61 -3.47 103.07 97.97 2dxc h GLY 105 Ca 0.00 -0.09 -0.44 0.00 0.00 0.00 0.00 47.33 46.80 2dxc h GLY 105 CO 0.00 0.08 -0.33 1.06 0.00 0.00 0.00 176.54 177.35 2dxc s MET 106 N -2.64 3.10 0.60 4.80 -1.94 -0.84 -5.04 119.30 117.34 2dxc s MET 106 Ca -0.03 -1.01 -0.16 0.00 -1.71 0.00 0.00 55.69 52.78 2dxc s MET 106 Cb 0.09 -2.81 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 2dxc s MET 106 CO 0.83 0.04 1.06 -2.14 -0.01 0.00 0.00 175.02 174.80 2dxc s PRO 107 N -4.19 3.24 0.05 2.03 0.02 -1.26 -4.91 135.00 129.98 2dxc s PRO 107 Ca 0.46 1.22 -0.12 0.00 0.02 0.00 0.00 61.00 62.58 2dxc s PRO 107 Cb -0.10 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 2dxc s PRO 107 CO 0.31 -0.88 1.21 -0.92 -0.33 0.00 0.00 177.00 176.39 2dxc h TYR 108 N 0.36 -0.66 0.00 6.54 3.20 -1.97 -0.09 116.97 124.35 2dxc h TYR 108 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 2dxc h TYR 108 Cb 1.22 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.81 2dxc h TYR 108 CO 0.58 -0.18 0.00 1.88 -1.64 0.00 0.00 178.16 178.81 2dxc h TYR 109 N -0.12 0.00 -0.36 -3.82 0.99 -1.99 -1.77 116.97 109.90 2dxc h TYR 109 Ca 0.03 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.65 2dxc h TYR 109 Cb 0.21 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.93 2dxc h TYR 109 CO -0.71 0.00 -0.23 0.78 -0.00 0.00 0.00 178.16 177.99 2dxc h GLY 110 N 1.68 0.78 1.50 3.88 0.00 -1.40 -1.34 103.07 108.18 2dxc h GLY 110 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 47.33 46.48 2dxc h GLY 110 CO 0.00 0.61 -0.69 3.21 0.00 0.00 0.00 176.54 179.67 2dxc h ARG 111 N 0.63 0.49 -0.36 4.80 3.08 -0.56 -1.30 114.38 121.17 2dxc h ARG 111 Ca 0.09 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 2dxc h ARG 111 Cb 0.73 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2dxc h ARG 111 CO 0.06 1.00 0.21 -1.49 -1.07 0.00 0.00 179.97 178.68 2dxc h TRP 112 N 0.35 0.48 -0.12 3.04 4.06 -1.27 -1.54 115.95 120.95 2dxc h TRP 112 Ca -0.02 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.89 2dxc h TRP 112 Cb 1.26 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 29.26 2dxc h TRP 112 CO 0.05 0.35 -0.03 1.25 -3.56 0.00 0.00 178.44 176.50 2dxc h LEU 113 N 0.46 0.24 -1.21 -4.49 5.85 -1.19 -1.74 115.31 113.23 2dxc h LEU 113 Ca 0.13 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.54 2dxc h LEU 113 Cb 0.02 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2dxc h LEU 113 CO -0.02 0.55 0.55 -0.07 -0.34 0.00 0.00 178.44 179.11 2dxc h LEU 114 N -0.08 0.85 -0.71 2.25 3.38 -1.21 -1.84 115.31 117.95 2dxc h LEU 114 Ca 0.03 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 2dxc h LEU 114 Cb 0.45 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2dxc h LEU 114 CO 0.01 0.55 -0.56 0.74 0.09 0.00 0.00 178.44 179.28 2dxc h THR 115 N 0.97 1.24 -0.42 0.22 2.02 -1.14 -0.84 112.91 114.95 2dxc h THR 115 Ca 0.36 -2.03 -0.15 0.00 0.77 0.00 0.00 66.41 65.37 2dxc h THR 115 Cb 0.18 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 2dxc h THR 115 CO -0.13 0.55 -0.31 0.00 0.37 0.00 0.00 175.52 176.01 2dxc h ALA 116 N 1.44 0.60 -0.50 6.16 0.00 -0.53 -1.36 119.26 125.07 2dxc h ALA 116 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2dxc h ALA 116 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2dxc h ALA 116 CO 0.07 0.65 -0.01 0.00 0.00 0.00 0.00 179.25 179.96 2dxc h ALA 117 N 0.81 1.05 -0.47 0.00 0.00 -1.13 -3.08 119.26 116.43 2dxc h ALA 117 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2dxc h ALA 117 Cb 0.89 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2dxc h ALA 117 CO 0.08 0.59 0.18 -0.09 0.00 0.00 0.00 179.25 180.01 2dxc h ARG 118 N 0.78 0.71 -0.19 0.00 9.65 -0.75 -2.86 114.38 121.72 2dxc h ARG 118 Ca 0.15 -0.13 -0.06 0.00 -1.10 0.00 0.00 59.98 58.83 2dxc h ARG 118 Cb 0.49 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2dxc h ARG 118 CO 0.02 0.65 -0.15 0.97 2.80 0.00 0.00 179.97 184.26 2dxc h ILE 119 N 0.61 1.20 -0.77 1.20 6.09 -1.19 0.16 117.51 124.81 2dxc h ILE 119 Ca 0.15 -0.91 -0.03 0.00 -1.37 0.00 0.00 64.86 62.70 2dxc h ILE 119 Cb 0.21 1.23 -0.04 0.00 0.47 0.00 0.00 36.82 38.70 2dxc h ILE 119 CO -0.01 0.29 0.37 -0.07 -3.07 0.00 0.00 178.15 175.66 2dxc h LEU 120 N 0.29 1.01 0.05 2.19 3.38 -1.43 -2.22 115.31 118.57 2dxc h LEU 120 Ca 0.06 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2dxc h LEU 120 Cb 0.44 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2dxc h LEU 120 CO 0.03 0.86 -0.51 0.58 0.09 0.00 0.00 178.44 179.48 2dxc h VAL 121 N 1.09 1.53 -0.36 1.22 2.07 -1.22 0.49 116.25 121.06 2dxc h VAL 121 Ca 0.27 -2.23 -0.03 0.00 0.82 0.00 0.00 66.70 65.52 2dxc h VAL 121 Cb 0.12 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2dxc h VAL 121 CO -0.03 0.63 0.10 0.44 0.02 0.00 0.00 177.57 178.73 2dxc h ASP 122 N -0.40 0.48 -0.52 0.57 3.32 -0.69 -1.52 116.42 117.66 2dxc h ASP 122 Ca -0.08 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2dxc h ASP 122 Cb 1.31 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2dxc h ASP 122 CO 0.10 0.47 0.00 0.29 -1.72 0.00 0.00 179.24 178.38 2dxc n LYS 123 N -4.35 2.84 -2.86 3.56 5.02 -0.84 -4.95 118.16 116.57 2dxc n LYS 123 Ca 0.02 -2.14 -0.20 0.00 -2.02 0.00 0.00 58.31 53.97 2dxc n LYS 123 Cb 0.17 -1.64 0.01 0.00 -0.02 0.00 0.00 35.03 33.55 2dxc n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dxc n GLN 124 N 0.93 -3.35 0.20 1.97 6.02 -0.57 -4.85 117.38 117.72 2dxc n GLN 124 Ca 0.20 0.75 0.09 0.00 -0.01 0.00 0.00 57.00 58.02 2dxc n GLN 124 Cb 0.63 -5.48 0.13 0.00 1.02 0.00 0.00 30.24 26.54 2dxc n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dxc h PHE 125 N -0.72 0.00 -3.64 1.08 0.04 -1.16 -3.44 116.94 109.10 2dxc h PHE 125 Ca -0.44 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.13 2dxc h PHE 125 Cb 1.31 0.00 -0.25 0.00 2.20 0.00 0.00 35.95 39.21 2dxc h PHE 125 CO 0.61 0.15 -0.63 0.08 -0.60 0.00 0.00 178.31 177.93 2dxc s VAL 126 N -3.13 0.04 0.55 -0.55 1.01 -0.92 -5.03 120.40 112.36 2dxc s VAL 126 Ca 0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 2dxc s VAL 126 Cb 0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 2dxc s VAL 126 CO 0.69 -0.16 0.90 0.42 0.00 0.00 0.00 175.10 176.95 2dxc s THR 127 N -0.48 4.69 0.42 3.92 -4.23 -1.26 -4.19 115.64 114.51 2dxc s THR 127 Ca -0.05 0.46 0.11 0.00 -1.18 0.00 0.00 61.69 61.03 2dxc s THR 127 Cb -0.04 -3.82 0.18 0.00 1.34 0.00 0.00 72.50 70.17 2dxc s THR 127 CO 0.00 -0.93 1.97 0.25 -0.54 0.00 0.00 174.62 175.37 2dxc h LEU 128 N -0.05 0.15 -0.69 4.79 5.85 -1.96 -1.89 115.31 121.51 2dxc h LEU 128 Ca -0.46 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.21 2dxc h LEU 128 Cb 1.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2dxc h LEU 128 CO 0.62 0.28 0.31 0.74 -0.34 0.00 0.00 178.44 180.05 2dxc h THR 129 N 0.16 1.24 -0.74 1.05 2.02 -1.99 0.26 112.91 114.91 2dxc h THR 129 Ca 0.03 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.46 2dxc h THR 129 Cb 0.29 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2dxc h THR 129 CO 0.02 0.28 0.25 -0.33 0.37 0.00 0.00 175.52 176.11 2dxc h GLU 130 N 0.97 1.13 -0.09 6.66 5.08 -1.73 0.95 114.58 127.55 2dxc h GLU 130 Ca 0.23 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2dxc h GLU 130 Cb 0.16 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2dxc h GLU 130 CO -0.03 0.95 0.02 1.25 -1.00 0.00 0.00 179.01 180.20 2dxc h LEU 131 N 1.09 0.13 -0.73 1.33 5.85 -1.03 -0.15 115.31 121.81 2dxc h LEU 131 Ca 0.24 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2dxc h LEU 131 Cb 0.27 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 2dxc h LEU 131 CO -0.01 0.35 0.46 0.45 -0.34 0.00 0.00 178.44 179.35 2dxc h HIS 132 N -0.09 0.86 -0.65 1.25 3.86 -0.72 -1.37 115.15 118.31 2dxc h HIS 132 Ca 0.03 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.18 2dxc h HIS 132 Cb 0.27 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2dxc h HIS 132 CO 0.01 0.50 0.09 -0.91 0.86 0.00 0.00 177.93 178.48 2dxc h ASN 133 N 0.90 1.04 -0.62 2.45 2.35 -0.68 -2.26 115.58 118.76 2dxc h ASN 133 Ca 0.29 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 2dxc h ASN 133 Cb 0.01 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 2dxc h ASN 133 CO -0.11 1.04 0.13 0.50 -1.65 0.00 0.00 177.43 177.34 2dxc h LYS 134 N 1.01 1.03 -0.54 0.81 1.63 -0.52 -0.33 116.57 119.67 2dxc h LYS 134 Ca 0.20 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 2dxc h LYS 134 Cb 0.46 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2dxc h LYS 134 CO 0.02 0.93 0.20 0.82 -3.45 0.00 0.00 179.45 177.97 2dxc h ILE 135 N 0.98 1.22 -0.50 2.00 1.08 -1.05 -0.13 117.51 121.11 2dxc h ILE 135 Ca 0.20 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2dxc h ILE 135 Cb 0.38 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 2dxc h ILE 135 CO 0.01 0.27 0.27 0.58 -0.69 0.00 0.00 178.15 178.59 2dxc h VAL 136 N 0.73 1.17 -0.74 1.67 2.07 -1.05 -1.82 116.25 118.29 2dxc h VAL 136 Ca 0.18 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2dxc h VAL 136 Cb 0.22 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 2dxc h VAL 136 CO -0.01 0.18 0.43 -0.33 0.02 0.00 0.00 177.57 177.86 2dxc h GLU 137 N 0.66 1.02 -0.53 1.57 5.08 -0.70 -1.91 114.58 119.78 2dxc h GLU 137 Ca 0.17 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2dxc h GLU 137 Cb 0.05 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2dxc h GLU 137 CO -0.03 0.74 0.22 0.52 -1.00 0.00 0.00 179.01 179.46 2dxc h MET 138 N 1.02 0.78 -0.55 2.33 2.86 -0.74 -0.49 114.93 120.14 2dxc h MET 138 Ca 0.26 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2dxc h MET 138 Cb 0.00 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2dxc h MET 138 CO -0.05 0.68 0.29 0.00 1.06 0.00 0.00 176.91 178.89 2dxc h ARG 139 N 0.71 0.79 -0.52 1.72 3.08 -1.11 -1.67 114.38 117.38 2dxc h ARG 139 Ca 0.18 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2dxc h ARG 139 Cb 0.19 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2dxc h ARG 139 CO -0.02 0.62 -0.01 0.93 -1.07 0.00 0.00 179.97 180.42 2dxc h GLU 140 N 0.75 0.88 -0.58 0.04 5.08 -1.16 -0.88 114.58 118.72 2dxc h GLU 140 Ca 0.19 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2dxc h GLU 140 Cb 0.08 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2dxc h GLU 140 CO -0.03 0.89 0.35 -0.09 -1.00 0.00 0.00 179.01 179.13 2dxc h ARG 141 N 0.81 0.67 -0.27 2.33 2.43 -0.66 0.74 114.38 120.43 2dxc h ARG 141 Ca 0.15 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2dxc h ARG 141 Cb 0.50 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2dxc h ARG 141 CO 0.03 0.44 -0.01 0.28 -1.51 0.00 0.00 179.97 179.20 2dxc h VAL 142 N 0.69 1.26 -0.52 0.20 2.07 -0.99 -2.46 116.25 116.49 2dxc h VAL 142 Ca 0.24 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 2dxc h VAL 142 Cb 0.03 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2dxc h VAL 142 CO -0.11 0.30 0.12 0.00 0.02 0.00 0.00 177.57 177.90 2dxc h ALA 143 N 0.82 1.25 0.00 1.67 0.00 -0.76 -2.78 119.26 119.46 2dxc h ALA 143 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2dxc h ALA 143 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dxc h ALA 143 CO 0.01 0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.45 2dxc h SER 144 N 0.76 0.00 0.00 0.00 4.64 -0.83 -3.46 113.55 114.66 2dxc h SER 144 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2dxc h SER 144 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2dxc h SER 144 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2dxc n GLY 145 N 0.10 0.67 0.12 -0.77 0.00 -1.05 -4.94 105.19 99.32 2dxc n GLY 145 Ca 0.02 -0.38 0.13 0.00 0.00 0.00 0.00 46.02 45.79 2dxc n GLY 145 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxc h GLN 146 N 0.91 0.00 0.00 1.61 4.15 -1.66 -3.42 115.11 116.70 2dxc h GLN 146 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2dxc h GLN 146 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2dxc h GLN 146 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 2dxc n GLY 147 N 0.91 -0.09 2.61 2.39 0.00 -1.24 -4.30 105.19 105.47 2dxc n GLY 147 Ca 0.04 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 44.10 2dxc n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxc s LEU 148 N -2.06 0.33 0.00 0.99 2.96 0.15 -4.50 118.68 116.55 2dxc s LEU 148 Ca 0.00 -1.36 0.00 0.00 -0.22 0.00 0.00 54.13 52.55 2dxc s LEU 148 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 46.19 46.69 2dxc s LEU 148 CO 0.00 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.26 2dxc n GLY 149 N 4.89 1.07 1.76 7.98 0.00 -1.26 -0.87 105.19 118.75 2dxc n GLY 149 Ca 0.01 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 2dxc n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dxc n GLU 150 N 3.44 2.80 0.03 1.61 0.28 -1.26 -3.57 120.64 123.97 2dxc n GLU 150 Ca 0.00 -2.30 -0.22 0.00 -0.16 0.00 0.00 57.16 54.48 2dxc n GLU 150 Cb 0.00 -1.97 -0.14 0.00 1.43 0.00 0.00 31.44 30.76 2dxc n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dxc h TYR 151 N 1.72 0.56 -2.92 -1.84 -1.99 -1.45 -3.46 116.97 107.58 2dxc h TYR 151 Ca 0.27 -0.41 -0.30 0.00 2.00 0.00 0.00 58.73 60.29 2dxc h TYR 151 Cb 2.06 -0.02 -0.36 0.00 2.00 0.00 0.00 36.73 40.41 2dxc h TYR 151 CO 1.03 1.72 -0.63 -1.17 -0.00 0.00 0.00 178.16 179.11 2dxc s LEU 152 N -7.22 -0.08 0.51 3.88 2.96 -0.53 -4.96 118.68 113.25 2dxc s LEU 152 Ca -0.20 0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.66 2dxc s LEU 152 Cb 0.06 0.31 -0.07 0.00 0.50 0.00 0.00 46.19 46.99 2dxc s LEU 152 CO 0.80 -0.27 1.10 -2.16 -1.32 0.00 0.00 176.35 174.49 2dxc s PRO 153 N 2.30 3.59 0.00 0.98 0.04 -1.26 0.32 135.00 140.98 2dxc s PRO 153 Ca 0.04 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.65 2dxc s PRO 153 Cb -0.13 -2.11 0.19 0.00 0.04 0.00 0.00 34.50 32.49 2dxc s PRO 153 CO -0.08 -0.64 0.67 -0.35 0.04 0.00 0.00 177.00 176.65