#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb h SER 4 N 0.00 0.81 -0.17 -3.46 0.87 -2.05 -1.58 113.55 107.96 2dxb h SER 4 Ca 0.00 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 2dxb h SER 4 Cb 0.00 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2dxb h SER 4 CO 0.00 0.90 -0.01 0.40 -0.53 0.00 0.00 176.83 177.58 2dxb h ILE 5 N 0.69 1.27 -0.98 2.23 5.03 -2.05 -2.20 117.51 121.49 2dxb h ILE 5 Ca 0.14 -0.90 0.04 0.00 -0.12 0.00 0.00 64.86 64.02 2dxb h ILE 5 Cb 0.46 1.52 -0.06 0.00 -3.03 0.00 0.00 36.82 35.72 2dxb h ILE 5 CO 0.02 0.27 0.64 0.03 -0.68 0.00 0.00 178.15 178.43 2dxb h ARG 6 N 0.04 1.19 -0.73 2.37 2.47 -1.98 0.15 114.38 117.89 2dxb h ARG 6 Ca 0.05 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2dxb h ARG 6 Cb 0.41 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.43 2dxb h ARG 6 CO 0.01 0.79 0.44 0.93 0.56 0.00 0.00 179.97 182.70 2dxb h GLU 7 N 1.23 0.99 -0.52 0.04 5.08 -1.13 -0.86 114.58 119.40 2dxb h GLU 7 Ca 0.40 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 2dxb h GLU 7 Cb 0.03 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2dxb h GLU 7 CO -0.13 0.70 -0.09 1.49 -1.00 0.00 0.00 179.01 179.98 2dxb h GLU 8 N 0.99 0.96 0.03 2.33 4.81 -0.61 -0.72 114.58 122.38 2dxb h GLU 8 Ca 0.26 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2dxb h GLU 8 Cb -0.04 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2dxb h GLU 8 CO -0.05 1.00 -0.08 0.28 -0.73 0.00 0.00 179.01 179.43 2dxb h VAL 9 N 0.86 0.80 -0.23 0.32 2.07 -0.12 0.13 116.25 120.08 2dxb h VAL 9 Ca 0.14 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.57 2dxb h VAL 9 Cb 0.63 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2dxb h VAL 9 CO 0.04 0.00 -0.26 0.45 0.02 0.00 0.00 177.57 177.83 2dxb h HIS 10 N -0.16 0.49 -0.51 1.57 3.86 -1.07 -0.34 115.15 118.99 2dxb h HIS 10 Ca 0.02 -0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 2dxb h HIS 10 Cb 0.18 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2dxb h HIS 10 CO -0.13 0.66 0.02 -0.09 0.86 0.00 0.00 177.93 179.25 2dxb h ARG 11 N 0.39 0.85 0.05 2.45 2.43 -0.78 -2.25 114.38 117.52 2dxb h ARG 11 Ca 0.06 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2dxb h ARG 11 Cb 0.66 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2dxb h ARG 11 CO 0.05 0.84 -0.02 1.25 -1.51 0.00 0.00 179.97 180.57 2dxb h HIS 12 N 0.79 -0.06 -0.46 2.20 2.76 0.03 -0.61 115.15 119.80 2dxb h HIS 12 Ca 0.15 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.43 2dxb h HIS 12 Cb 0.45 0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 2dxb h HIS 12 CO 0.03 0.13 0.32 -0.07 -1.30 0.00 0.00 177.93 177.04 2dxb h LEU 13 N -0.26 0.13 0.22 0.26 3.38 -0.89 -1.47 115.31 116.69 2dxb h LEU 13 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 2dxb h LEU 13 Cb 0.23 -0.02 0.03 0.00 0.09 0.00 0.00 40.66 40.98 2dxb h LEU 13 CO 0.01 0.08 -1.46 1.23 0.09 0.00 0.00 178.44 178.39 2dxb h GLY 14 N 0.15 0.53 1.05 0.83 0.00 -1.12 -3.37 103.07 101.14 2dxb h GLY 14 Ca 0.21 -1.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.10 2dxb h GLY 14 CO -0.03 1.20 0.05 -0.84 0.00 0.00 0.00 176.54 176.92 2dxb h THR 15 N 0.13 1.26 0.00 4.70 2.02 -0.19 -2.92 112.91 117.90 2dxb h THR 15 Ca -0.24 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 2dxb h THR 15 Cb 2.12 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 69.33 2dxb h THR 15 CO 0.25 0.39 -0.02 -0.37 0.37 0.00 0.00 175.52 176.14 2dxb h VAL 16 N 0.90 0.49 0.00 3.16 -1.51 -1.46 -0.95 116.25 116.88 2dxb h VAL 16 Ca 0.17 -0.10 -0.02 0.00 -1.23 0.00 0.00 66.70 65.53 2dxb h VAL 16 Cb 0.49 1.07 -0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2dxb h VAL 16 CO 0.02 0.02 -0.07 0.00 -1.23 0.00 0.00 177.57 176.31 2dxb h ALA 17 N 1.98 1.68 0.00 5.19 0.00 -1.66 -0.65 119.26 125.79 2dxb h ALA 17 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2dxb h ALA 17 Cb 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2dxb h ALA 17 CO 0.00 0.09 -0.16 -0.07 0.00 0.00 0.00 179.25 179.11 2dxb h LEU 18 N 0.00 0.00 -2.09 0.00 3.38 -1.31 -2.69 115.31 112.60 2dxb h LEU 18 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dxb h LEU 18 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2dxb h LEU 18 CO 0.01 0.16 0.00 0.23 0.09 0.00 0.00 178.44 178.93 2dxb n MET 19 N -3.63 2.36 -1.61 1.13 2.81 -0.26 -4.94 117.12 112.98 2dxb n MET 19 Ca -0.01 -2.06 -0.50 0.00 -1.81 0.00 0.00 57.70 53.32 2dxb n MET 19 Cb 0.29 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.25 2dxb n MET 19 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2dxb n GLN 20 N 1.27 1.69 -1.25 0.03 -0.06 -1.02 -4.88 117.38 113.16 2dxb n GLN 20 Ca 0.19 0.57 -0.35 0.00 -2.00 0.00 0.00 57.00 55.41 2dxb n GLN 20 Cb 0.55 -2.59 0.10 0.00 -4.06 0.00 0.00 30.24 24.24 2dxb n GLN 20 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2dxb n PRO 21 N 7.21 0.37 -3.57 3.69 -0.02 -1.26 -5.03 135.00 136.39 2dxb n PRO 21 Ca 0.30 0.19 -0.07 0.00 -2.02 0.00 0.00 63.50 61.89 2dxb n PRO 21 Cb 0.27 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2dxb n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dxb s ALA 22 N -1.94 -1.78 -0.53 3.55 0.00 -1.26 -5.08 121.76 114.72 2dxb s ALA 22 Ca 0.72 0.76 -0.16 0.00 0.00 0.00 0.00 51.96 53.28 2dxb s ALA 22 Cb -0.32 0.48 0.11 0.00 0.00 0.00 0.00 23.12 23.39 2dxb s ALA 22 CO 0.52 -0.79 0.51 -0.51 0.00 0.00 0.00 175.76 175.49 2dxb s LEU 23 N -2.61 5.92 -0.49 0.00 1.43 -1.26 -5.01 118.68 116.65 2dxb s LEU 23 Ca 0.07 -1.61 -0.17 0.00 -1.03 0.00 0.00 54.13 51.38 2dxb s LEU 23 Cb -0.01 -2.22 0.07 0.00 0.03 0.00 0.00 46.19 44.05 2dxb s LEU 23 CO -0.06 -0.85 0.52 -2.28 0.23 0.00 0.00 176.35 173.91 2dxb s HIS 24 N 1.79 3.14 -0.45 0.29 2.46 -1.26 -5.03 115.29 116.22 2dxb s HIS 24 Ca 0.05 -0.73 -0.11 0.00 0.47 0.00 0.00 55.06 54.74 2dxb s HIS 24 Cb -0.28 -3.39 0.09 0.00 -0.13 0.00 0.00 32.58 28.88 2dxb s HIS 24 CO 0.05 -0.93 0.32 -1.14 -2.47 0.00 0.00 174.74 170.56 2dxb s GLN 25 N 2.18 2.65 0.32 2.88 0.74 -1.26 -5.07 119.66 122.10 2dxb s GLN 25 Ca 0.10 -1.55 -0.29 0.00 0.05 0.00 0.00 55.36 53.67 2dxb s GLN 25 Cb -0.22 -3.91 -0.10 0.00 1.10 0.00 0.00 33.01 29.88 2dxb s GLN 25 CO 0.09 -1.06 1.25 -0.65 -0.55 0.00 0.00 175.29 174.37 2dxb s GLN 26 N 1.45 4.43 -0.20 1.67 -0.21 -1.26 -5.01 119.66 120.53 2dxb s GLN 26 Ca 0.04 2.10 -0.06 0.00 0.02 0.00 0.00 55.36 57.46 2dxb s GLN 26 Cb -0.25 -3.10 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 2dxb s GLN 26 CO 0.02 -0.08 0.03 0.95 -2.12 0.00 0.00 175.29 174.09 2dxb s THR 27 N -1.14 4.25 -0.58 -0.19 -4.23 -1.26 -5.04 115.64 107.46 2dxb s THR 27 Ca 0.48 -0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.83 2dxb s THR 27 Cb -0.38 -2.92 0.22 0.00 1.34 0.00 0.00 72.50 70.76 2dxb s THR 27 CO 0.50 0.43 0.58 1.41 -0.54 0.00 0.00 174.62 177.00 2dxb n HIS 28 N 4.05 2.17 -3.63 3.99 8.25 -1.26 -4.93 115.22 123.86 2dxb n HIS 28 Ca -0.17 -3.97 -0.26 0.00 -0.26 0.00 0.00 57.72 53.06 2dxb n HIS 28 Cb 0.52 -0.43 0.02 0.00 1.12 0.00 0.00 29.99 31.23 2dxb n HIS 28 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dxb n ALA 29 N 1.51 -2.61 -1.27 -1.41 0.00 -1.26 -4.92 120.51 110.54 2dxb n ALA 29 Ca 0.26 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 2dxb n ALA 29 Cb 0.43 -2.76 0.09 0.00 0.00 0.00 0.00 19.45 17.21 2dxb n ALA 29 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dxb s PRO 30 N -5.33 2.22 0.75 0.00 0.04 -1.26 -5.00 135.00 126.41 2dxb s PRO 30 Ca 0.28 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 62.61 2dxb s PRO 30 Cb -0.11 -1.88 0.05 0.00 0.04 0.00 0.00 34.50 32.60 2dxb s PRO 30 CO 0.86 -1.71 1.13 0.00 0.04 0.00 0.00 177.00 177.33 2dxb s ALA 31 N -2.50 2.17 0.51 8.56 0.00 -1.26 -4.90 121.76 124.34 2dxb s ALA 31 Ca 0.66 0.55 0.20 0.00 0.00 0.00 0.00 51.96 53.38 2dxb s ALA 31 Cb -0.21 -3.36 1.29 0.00 0.00 0.00 0.00 23.12 20.83 2dxb s ALA 31 CO 0.49 -1.79 2.03 -1.35 0.00 0.00 0.00 175.76 175.15 2dxb h PRO 32 N -0.68 0.08 0.00 0.00 0.11 -1.96 0.13 132.00 129.68 2dxb h PRO 32 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2dxb h PRO 32 Cb 1.26 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2dxb h PRO 32 CO 0.50 0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.60 2dxb n THR 33 N -4.44 0.75 1.01 -1.15 -2.24 -1.26 -1.86 114.28 105.09 2dxb n THR 33 Ca 0.06 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.14 2dxb n THR 33 Cb 0.42 -0.95 0.02 0.00 -2.10 0.00 0.00 70.33 67.72 2dxb n THR 33 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dxb n GLU 34 N -1.36 1.26 -3.50 -0.78 1.02 0.03 -4.85 120.64 112.46 2dxb n GLU 34 Ca 0.06 -1.04 -0.42 0.00 -0.02 0.00 0.00 57.16 55.74 2dxb n GLU 34 Cb 0.13 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 2dxb n GLU 34 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2dxb s ILE 35 N -2.45 5.09 0.76 -3.67 -1.09 -0.78 -5.02 121.20 114.04 2dxb s ILE 35 Ca 0.19 -0.67 -0.09 0.00 -2.23 0.00 0.00 60.65 57.86 2dxb s ILE 35 Cb 0.18 -3.82 0.08 0.00 -1.58 0.00 0.00 42.46 37.32 2dxb s ILE 35 CO 0.56 -0.26 1.09 0.42 -1.23 0.00 0.00 174.94 175.51 2dxb s THR 36 N 1.65 2.16 0.31 2.92 -4.23 -1.26 -4.85 115.64 112.35 2dxb s THR 36 Ca 0.04 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 2dxb s THR 36 Cb -0.19 -2.99 0.17 0.00 1.34 0.00 0.00 72.50 70.84 2dxb s THR 36 CO 0.09 0.00 1.87 -0.74 -0.54 0.00 0.00 174.62 175.30 2dxb h HIS 37 N -0.82 0.73 -0.48 3.99 2.76 -1.99 -0.22 115.15 119.12 2dxb h HIS 37 Ca -0.45 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 57.65 2dxb h HIS 37 Cb 1.31 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 2dxb h HIS 37 CO 0.21 0.62 0.24 1.15 -1.30 0.00 0.00 177.93 178.85 2dxb h THR 38 N 0.70 1.18 -0.36 6.26 2.02 -1.99 -1.02 112.91 119.70 2dxb h THR 38 Ca 0.16 -0.51 -0.15 0.00 0.77 0.00 0.00 66.41 66.68 2dxb h THR 38 Cb 0.25 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2dxb h THR 38 CO -0.00 0.20 -0.39 -0.07 0.37 0.00 0.00 175.52 175.63 2dxb h LEU 39 N 0.64 0.91 -0.51 2.58 3.38 -1.84 -1.81 115.31 118.67 2dxb h LEU 39 Ca 0.17 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.75 2dxb h LEU 39 Cb 0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2dxb h LEU 39 CO -0.02 1.19 0.29 0.15 0.09 0.00 0.00 178.44 180.14 2dxb h PHE 40 N 0.70 0.54 -0.39 1.13 3.57 -0.78 0.12 116.94 121.83 2dxb h PHE 40 Ca 0.06 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.47 2dxb h PHE 40 Cb 0.96 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2dxb h PHE 40 CO 0.06 0.30 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.16 2dxb h ARG 41 N 0.58 0.74 -0.48 1.11 2.43 -1.11 -1.71 114.38 115.95 2dxb h ARG 41 Ca 0.21 -0.28 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2dxb h ARG 41 Cb 0.05 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 2dxb h ARG 41 CO -0.11 0.88 -0.02 0.00 -1.51 0.00 0.00 179.97 179.21 2dxb h ALA 42 N 1.13 0.64 -0.22 2.80 0.00 -0.51 -2.51 119.26 120.59 2dxb h ALA 42 Ca 0.10 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2dxb h ALA 42 Cb 0.68 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dxb h ALA 42 CO 0.05 0.46 -0.53 1.88 0.00 0.00 0.00 179.25 181.11 2dxb h TYR 43 N 0.70 0.80 -0.31 0.00 -1.99 -0.71 -3.11 116.97 112.35 2dxb h TYR 43 Ca 0.13 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.59 2dxb h TYR 43 Cb 0.53 -0.15 0.00 0.00 2.00 0.00 0.00 36.73 39.11 2dxb h TYR 43 CO 0.04 1.03 0.00 0.25 -0.00 0.00 0.00 178.16 179.48 2dxb n THR 44 N -3.98 0.54 -0.70 -2.88 -2.24 -0.65 -4.93 114.28 99.44 2dxb n THR 44 Ca -0.03 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.00 2dxb n THR 44 Cb 0.60 0.12 0.19 0.00 -2.10 0.00 0.00 70.33 69.15 2dxb n THR 44 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dxb s ARG 45 N -1.60 0.32 -0.37 -0.78 1.70 -0.95 -4.97 118.95 112.30 2dxb s ARG 45 Ca 0.22 1.20 -0.16 0.00 -0.47 0.00 0.00 55.73 56.52 2dxb s ARG 45 Cb 0.12 -1.67 -0.00 0.00 -0.57 0.00 0.00 34.95 32.83 2dxb s ARG 45 CO 0.13 -3.00 0.37 0.08 -1.08 0.00 0.00 175.30 171.81 2dxb s VAL 46 N -2.61 5.16 0.42 4.99 1.01 -1.26 -4.97 120.40 123.14 2dxb s VAL 46 Ca 0.67 -0.13 0.26 0.00 0.00 0.00 0.00 61.98 62.78 2dxb s VAL 46 Cb -0.23 -3.88 0.45 0.00 0.00 0.00 0.00 36.38 32.72 2dxb s VAL 46 CO 0.60 -0.20 1.65 -0.65 0.00 0.00 0.00 175.10 176.51 2dxb h PRO 47 N 8.55 0.15 0.00 2.72 0.11 -1.83 -2.03 132.00 139.68 2dxb h PRO 47 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2dxb h PRO 47 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dxb h PRO 47 CO 0.72 0.10 0.00 1.12 -0.21 0.00 0.00 178.00 179.73 2dxb h HIS 48 N 0.15 0.00 -1.08 0.65 2.07 -1.91 -3.39 115.15 111.65 2dxb h HIS 48 Ca 0.77 0.00 -0.69 0.00 -2.85 0.00 0.00 60.37 57.60 2dxb h HIS 48 Cb 2.30 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 32.18 2dxb h HIS 48 CO -0.01 0.00 2.08 -3.47 -3.07 0.00 0.00 177.93 173.46 2dxb n ASP 49 N -2.44 4.98 -0.35 3.10 2.03 -0.76 -4.69 116.55 118.41 2dxb n ASP 49 Ca 0.02 -2.93 0.07 0.00 0.52 0.00 0.00 54.79 52.48 2dxb n ASP 49 Cb 0.29 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 38.97 2dxb n ASP 49 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2dxb n VAL 50 N 6.06 0.00 -1.68 5.18 0.24 -1.26 -4.97 118.33 121.90 2dxb n VAL 50 Ca 0.47 -0.35 -0.46 0.00 -2.04 0.00 0.00 64.34 61.96 2dxb n VAL 50 Cb 0.45 1.18 -0.04 0.00 -1.47 0.00 0.00 33.84 33.96 2dxb n VAL 50 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dxb n GLY 51 N 1.09 1.37 0.00 7.63 0.00 -1.26 -2.03 105.19 111.99 2dxb n GLY 51 Ca 0.06 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2dxb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxb n GLY 52 N 3.91 1.76 3.77 -0.02 0.00 -1.26 -5.06 105.19 108.29 2dxb n GLY 52 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2dxb n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dxb s GLU 53 N -0.97 4.11 0.32 1.61 2.02 -0.86 -4.97 118.70 119.95 2dxb s GLU 53 Ca 0.00 1.99 -0.29 0.00 0.02 0.00 0.00 54.97 56.69 2dxb s GLU 53 Cb 0.00 -2.79 -0.10 0.00 0.10 0.00 0.00 34.13 31.34 2dxb s GLU 53 CO 0.00 -0.32 1.21 0.00 0.02 0.00 0.00 175.26 176.16 2dxb s ALA 54 N -1.31 3.42 0.22 5.21 0.00 -1.26 -5.03 121.76 123.02 2dxb s ALA 54 Ca 0.55 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 2dxb s ALA 54 Cb -0.34 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.38 2dxb s ALA 54 CO 0.44 -0.43 0.51 0.34 0.00 0.00 0.00 175.76 176.62 2dxb s ASP 55 N -0.72 -0.17 0.54 0.00 -1.08 -1.26 -5.18 116.67 108.80 2dxb s ASP 55 Ca 0.48 -0.70 0.02 0.00 -0.52 0.00 0.00 52.55 51.83 2dxb s ASP 55 Cb -0.36 0.58 0.03 0.00 -1.46 0.00 0.00 42.92 41.72 2dxb s ASP 55 CO 0.46 -1.10 0.76 0.68 0.52 0.00 0.00 175.17 176.49 2dxb s VAL 56 N -3.94 2.68 0.24 1.11 -7.23 -1.26 -5.07 120.40 106.93 2dxb s VAL 56 Ca 0.15 -0.70 -0.24 0.00 -1.81 0.00 0.00 61.98 59.39 2dxb s VAL 56 Cb -0.01 -2.98 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 2dxb s VAL 56 CO 0.03 0.00 0.82 -2.84 -0.31 0.00 0.00 175.10 172.80 2dxb s PRO 57 N -4.73 4.47 0.02 4.82 0.02 -1.26 -5.06 135.00 133.28 2dxb s PRO 57 Ca 0.57 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2dxb s PRO 57 Cb -0.10 -2.97 -0.02 0.00 0.02 0.00 0.00 34.50 31.43 2dxb s PRO 57 CO 0.38 0.41 -0.03 0.96 -0.33 0.00 0.00 177.00 178.38 2dxb s ILE 58 N -1.45 0.15 -0.65 2.83 -0.00 -1.26 -5.09 121.20 115.74 2dxb s ILE 58 Ca 0.43 -1.00 -0.27 0.00 -0.00 0.00 0.00 60.65 59.81 2dxb s ILE 58 Cb -0.19 -0.40 0.02 0.00 -0.00 0.00 0.00 42.46 41.89 2dxb s ILE 58 CO 0.24 -0.54 1.37 -0.70 -0.00 0.00 0.00 174.94 175.31 2dxb s GLU 59 N -1.69 3.21 0.36 0.37 2.12 -1.26 -4.97 118.70 116.84 2dxb s GLU 59 Ca -0.13 0.11 -0.28 0.00 0.36 0.00 0.00 54.97 55.03 2dxb s GLU 59 Cb -0.08 -4.16 -0.12 0.00 0.26 0.00 0.00 34.13 30.03 2dxb s GLU 59 CO -0.02 -2.09 1.39 0.66 -0.54 0.00 0.00 175.26 174.66 2dxb n TYR 60 N 9.67 2.63 -4.31 5.30 4.01 -1.26 -5.02 117.16 128.19 2dxb n TYR 60 Ca 0.08 0.50 -0.16 0.00 -0.16 0.00 0.00 57.90 58.16 2dxb n TYR 60 Cb 0.49 -2.47 -0.10 0.00 -0.31 0.00 0.00 39.34 36.95 2dxb n TYR 60 CO 0.00 0.00 0.00 -3.38 -0.46 0.00 0.00 176.86 173.02 2dxb s HIS 61 N -1.09 1.49 0.46 -0.72 -3.43 -1.26 -5.15 115.29 105.59 2dxb s HIS 61 Ca 0.54 -0.77 0.02 0.00 -0.80 0.00 0.00 55.06 54.05 2dxb s HIS 61 Cb -0.52 -0.79 0.01 0.00 -1.43 0.00 0.00 32.58 29.84 2dxb s HIS 61 CO 0.63 0.11 0.67 -1.21 -2.00 0.00 0.00 174.74 172.93 2dxb s GLU 62 N -3.77 2.91 -0.07 -0.38 0.41 -1.26 -5.11 118.70 111.43 2dxb s GLU 62 Ca 0.22 -0.69 -0.04 0.00 -0.41 0.00 0.00 54.97 54.06 2dxb s GLU 62 Cb 0.03 -2.59 0.03 0.00 -1.78 0.00 0.00 34.13 29.83 2dxb s GLU 62 CO 0.05 -0.35 0.17 0.21 -0.49 0.00 0.00 175.26 174.85 2dxb s LYS 63 N -4.55 0.14 0.61 1.61 2.20 -1.26 -5.14 119.74 113.36 2dxb s LYS 63 Ca 0.51 0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 56.29 2dxb s LYS 63 Cb -0.10 -0.10 -0.03 0.00 -1.51 0.00 0.00 37.83 36.10 2dxb s LYS 63 CO 0.37 -0.13 1.21 -1.21 -0.36 0.00 0.00 175.35 175.23 2dxb s GLU 64 N 0.90 2.85 -0.01 4.03 2.02 -1.26 -4.97 118.70 122.26 2dxb s GLU 64 Ca -0.07 1.82 -0.25 0.00 0.02 0.00 0.00 54.97 56.50 2dxb s GLU 64 Cb -0.09 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2dxb s GLU 64 CO -0.05 -1.30 0.76 -2.00 0.02 0.00 0.00 175.26 172.69 2dxb s GLU 65 N -3.42 4.47 0.52 1.61 2.12 -1.26 -5.05 118.70 117.69 2dxb s GLU 65 Ca 0.77 1.02 -0.17 0.00 0.36 0.00 0.00 54.97 56.95 2dxb s GLU 65 Cb -0.30 -3.41 -0.07 0.00 0.26 0.00 0.00 34.13 30.60 2dxb s GLU 65 CO 0.35 0.15 1.00 -1.21 -0.54 0.00 0.00 175.26 175.01 2dxb s GLU 66 N 0.44 3.87 0.19 4.30 0.41 -1.26 -4.96 118.70 121.68 2dxb s GLU 66 Ca 0.39 1.00 -0.11 0.00 -0.41 0.00 0.00 54.97 55.84 2dxb s GLU 66 Cb -0.19 -2.12 0.11 0.00 -1.78 0.00 0.00 34.13 30.14 2dxb s GLU 66 CO 0.21 -0.34 1.80 0.82 -0.49 0.00 0.00 175.26 177.26 2dxb h ILE 67 N 0.88 1.21 0.00 -1.63 1.08 -2.00 -2.44 117.51 114.61 2dxb h ILE 67 Ca -0.47 -0.53 -0.06 0.00 -0.39 0.00 0.00 64.86 63.40 2dxb h ILE 67 Cb 1.19 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 2dxb h ILE 67 CO 0.61 0.23 -0.31 4.11 -0.69 0.00 0.00 178.15 182.10 2dxb h TRP 68 N 0.89 0.00 -0.23 1.37 5.08 -1.99 -1.99 115.95 119.08 2dxb h TRP 68 Ca 0.23 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.16 2dxb h TRP 68 Cb 0.05 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.21 2dxb h TRP 68 CO -0.01 0.31 -0.00 0.93 -1.28 0.00 0.00 178.44 178.39 2dxb h GLU 69 N 0.00 0.41 -0.76 0.12 5.08 -1.83 0.89 114.58 118.49 2dxb h GLU 69 Ca -0.00 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.20 2dxb h GLU 69 Cb 0.55 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2dxb h GLU 69 CO 0.04 0.59 0.37 1.25 -1.00 0.00 0.00 179.01 180.26 2dxb h LEU 70 N 0.18 0.99 -0.90 1.33 5.85 -1.24 0.33 115.31 121.85 2dxb h LEU 70 Ca 0.07 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2dxb h LEU 70 Cb 0.41 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2dxb h LEU 70 CO 0.01 0.85 -0.06 0.78 -0.34 0.00 0.00 178.44 179.68 2dxb h ASN 71 N 1.07 0.73 -0.35 1.25 -0.26 -1.19 -1.97 115.58 114.86 2dxb h ASN 71 Ca 0.26 -0.19 -0.09 0.00 -0.56 0.00 0.00 56.30 55.72 2dxb h ASN 71 Cb 0.11 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 2dxb h ASN 71 CO -0.03 0.83 -0.12 0.74 -1.06 0.00 0.00 177.43 177.79 2dxb h THR 72 N 0.69 1.28 -0.21 2.81 2.02 -0.26 -1.17 112.91 118.07 2dxb h THR 72 Ca 0.13 -1.20 0.01 0.00 0.77 0.00 0.00 66.41 66.11 2dxb h THR 72 Cb 0.51 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 2dxb h THR 72 CO 0.03 0.39 0.13 0.15 0.37 0.00 0.00 175.52 176.59 2dxb h PHE 73 N 0.49 0.24 -0.92 3.16 3.57 -0.77 -1.37 116.94 121.35 2dxb h PHE 73 Ca 0.09 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 2dxb h PHE 73 Cb 0.64 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 2dxb h PHE 73 CO 0.05 0.15 0.52 0.00 -2.23 0.00 0.00 178.31 176.80 2dxb h ALA 74 N 1.09 1.18 -0.30 2.41 0.00 -1.27 -1.86 119.26 120.50 2dxb h ALA 74 Ca 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2dxb h ALA 74 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2dxb h ALA 74 CO -0.03 0.67 0.14 1.15 0.00 0.00 0.00 179.25 181.17 2dxb h THR 75 N 1.28 1.16 -0.66 0.00 2.02 -0.83 -0.04 112.91 115.84 2dxb h THR 75 Ca 0.33 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 2dxb h THR 75 Cb -0.00 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2dxb h THR 75 CO -0.06 0.17 0.30 0.00 0.37 0.00 0.00 175.52 176.30 2dxb h GLU 77 N 0.93 0.36 -0.24 0.00 4.39 -1.24 -2.46 114.58 116.32 2dxb h GLU 77 Ca 0.23 -0.22 -0.16 0.00 0.34 0.00 0.00 59.36 59.55 2dxb h GLU 77 Cb 0.16 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 2dxb h GLU 77 CO -0.02 0.80 -0.50 0.00 -1.16 0.00 0.00 179.01 178.12 2dxb h LEU 79 N 0.51 0.92 -0.06 0.00 3.38 -0.88 0.93 115.31 120.11 2dxb h LEU 79 Ca 0.02 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2dxb h LEU 79 Cb 1.05 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2dxb h LEU 79 CO 0.10 0.78 -0.37 0.00 0.09 0.00 0.00 178.44 179.04 2dxb h ALA 80 N 1.37 0.13 -0.73 1.53 0.00 -1.19 0.21 119.26 120.58 2dxb h ALA 80 Ca 0.25 -0.46 0.14 0.00 0.00 0.00 0.00 54.91 54.83 2dxb h ALA 80 Cb 0.10 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 2dxb h ALA 80 CO -0.03 0.22 0.28 2.35 0.00 0.00 0.00 179.25 182.07 2dxb h TRP 81 N -0.14 0.47 -0.27 0.00 7.01 -0.04 -0.17 115.95 122.81 2dxb h TRP 81 Ca -0.03 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.01 2dxb h TRP 81 Cb 1.03 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 2dxb h TRP 81 CO 0.13 0.05 0.00 0.54 -2.79 0.00 0.00 178.44 176.38 2dxb n ARG 82 N -5.02 2.82 -1.62 2.65 5.12 0.29 -4.92 116.66 115.98 2dxb n ARG 82 Ca 0.13 -1.48 -0.12 0.00 -1.93 0.00 0.00 57.85 54.45 2dxb n ARG 82 Cb 0.40 -1.85 -0.04 0.00 -1.16 0.00 0.00 32.46 29.81 2dxb n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2dxb n GLY 83 N 0.31 0.90 0.12 -0.13 0.00 -0.08 -4.89 105.19 101.43 2dxb n GLY 83 Ca 0.13 -0.43 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 2dxb n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dxb h VAL 84 N 0.00 1.51 -2.49 1.61 2.07 -0.79 -3.47 116.25 114.69 2dxb h VAL 84 Ca -0.26 -2.55 0.15 0.00 0.82 0.00 0.00 66.70 64.85 2dxb h VAL 84 Cb 0.93 2.39 -0.08 0.00 -1.52 0.00 0.00 31.29 33.00 2dxb h VAL 84 CO 0.36 0.74 0.43 -1.66 0.02 0.00 0.00 177.57 177.45 2dxb s TRP 85 N -3.30 -0.16 0.29 1.57 -2.14 -1.24 -5.01 118.94 108.95 2dxb s TRP 85 Ca -0.02 -0.16 0.06 0.00 2.66 0.00 0.00 56.10 58.65 2dxb s TRP 85 Cb 0.11 0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 31.10 2dxb s TRP 85 CO 0.80 -0.90 0.33 0.95 -2.66 0.00 0.00 176.95 175.47 2dxb s THR 86 N -3.42 4.37 0.38 0.66 -4.23 -1.26 -4.08 115.64 108.06 2dxb s THR 86 Ca 0.11 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 2dxb s THR 86 Cb -0.02 -3.48 0.26 0.00 1.34 0.00 0.00 72.50 70.59 2dxb s THR 86 CO 0.02 -0.26 2.03 0.00 -0.54 0.00 0.00 174.62 175.87 2dxb h ALA 87 N 1.20 1.62 -0.59 3.99 0.00 -1.96 -1.72 119.26 121.80 2dxb h ALA 87 Ca -0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 2dxb h ALA 87 Cb 1.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2dxb h ALA 87 CO 0.58 0.34 0.21 0.93 0.00 0.00 0.00 179.25 181.31 2dxb h GLU 88 N 0.66 0.88 -0.60 0.00 4.39 -1.99 -0.00 114.58 117.91 2dxb h GLU 88 Ca 0.18 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2dxb h GLU 88 Cb -0.05 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 2dxb h GLU 88 CO -0.04 0.74 0.06 1.49 -1.16 0.00 0.00 179.01 180.10 2dxb h GLU 89 N 0.86 1.01 0.21 2.33 4.81 -1.73 -2.09 114.58 119.98 2dxb h GLU 89 Ca 0.20 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2dxb h GLU 89 Cb 0.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2dxb h GLU 89 CO -0.01 0.97 -0.10 -0.09 -0.73 0.00 0.00 179.01 179.04 2dxb h ARG 90 N 0.91 -0.27 -0.52 1.92 2.43 -0.70 -2.26 114.38 115.90 2dxb h ARG 90 Ca 0.18 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.45 2dxb h ARG 90 Cb 0.47 0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.01 2dxb h ARG 90 CO 0.02 -0.15 0.12 0.00 -1.51 0.00 0.00 179.97 178.46 2dxb h ARG 91 N -0.32 0.26 -0.42 0.20 3.08 -0.92 0.64 114.38 116.90 2dxb h ARG 91 Ca -0.03 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2dxb h ARG 91 Cb 0.25 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2dxb h ARG 91 CO 0.05 0.17 0.24 -0.09 -1.07 0.00 0.00 179.97 179.27 2dxb h ARG 92 N 0.27 0.47 -0.22 0.04 1.12 -1.27 0.42 114.38 115.22 2dxb h ARG 92 Ca 0.26 -0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.90 2dxb h ARG 92 Cb 0.34 -0.11 0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2dxb h ARG 92 CO -0.32 0.31 -0.67 0.87 -3.11 0.00 0.00 179.97 177.05 2dxb h LYS 93 N 0.49 0.82 0.16 0.20 1.57 -0.77 -0.64 116.57 118.40 2dxb h LYS 93 Ca 0.17 -0.59 -0.27 0.00 -1.87 0.00 0.00 60.65 58.09 2dxb h LYS 93 Cb 0.02 0.10 0.03 0.00 0.08 0.00 0.00 32.23 32.46 2dxb h LYS 93 CO -0.09 1.21 -1.14 0.37 -0.57 0.00 0.00 179.45 179.24 2dxb h GLN 94 N 0.59 0.49 -0.01 3.15 4.15 0.45 -3.17 115.11 120.76 2dxb h GLN 94 Ca -0.02 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.66 2dxb h GLN 94 Cb 1.29 0.26 0.00 0.00 0.21 0.00 0.00 27.48 29.24 2dxb h GLN 94 CO 0.14 1.34 -0.58 0.09 -1.93 0.00 0.00 178.83 177.89 2dxb n ASN 95 N -3.91 1.66 0.05 -0.69 3.02 0.15 -4.56 115.26 110.98 2dxb n ASN 95 Ca -0.15 -1.33 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 2dxb n ASN 95 Cb 0.95 0.62 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 2dxb n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dxb h ASP 97 N 0.00 0.00 0.56 0.00 3.32 -1.17 -2.05 116.42 117.08 2dxb h ASP 97 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dxb h ASP 97 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2dxb h ASP 97 CO 0.00 0.00 0.00 -0.37 -1.72 0.00 0.00 179.24 177.15 2dxb h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.79 -3.49 116.25 108.11 2dxb h VAL 98 Ca 0.04 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.30 2dxb h VAL 98 Cb 0.32 0.96 0.00 0.00 -2.13 0.00 0.00 31.29 30.44 2dxb h VAL 98 CO -0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 2dxb n GLY 99 N -0.38 -2.09 0.25 5.19 0.00 -0.77 -4.35 105.19 103.04 2dxb n GLY 99 Ca 0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 2dxb n GLY 99 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxb h GLN 100 N 0.00 -0.04 0.62 1.61 5.75 -1.94 -0.93 115.11 120.19 2dxb h GLN 100 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2dxb h GLN 100 Cb 0.00 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.56 2dxb h GLN 100 CO 0.00 -0.02 -0.32 1.15 -2.65 0.00 0.00 178.83 176.99 2dxb h THR 101 N -0.04 0.35 -0.50 2.39 2.02 -2.00 -2.90 112.91 112.23 2dxb h THR 101 Ca 0.28 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.37 2dxb h THR 101 Cb 0.46 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 2dxb h THR 101 CO -0.62 0.00 -0.03 0.58 0.37 0.00 0.00 175.52 175.82 2dxb h VAL 102 N -0.86 1.25 -0.92 3.16 2.07 -1.74 0.10 116.25 119.31 2dxb h VAL 102 Ca -0.08 -1.08 0.16 0.00 0.82 0.00 0.00 66.70 66.52 2dxb h VAL 102 Cb 0.67 0.90 -0.10 0.00 -1.52 0.00 0.00 31.29 31.24 2dxb h VAL 102 CO 0.13 0.38 0.51 0.22 0.02 0.00 0.00 177.57 178.83 2dxb h TYR 103 N 0.79 0.90 0.00 1.57 3.20 -1.07 -1.63 116.97 120.73 2dxb h TYR 103 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2dxb h TYR 103 Cb 0.51 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2dxb h TYR 103 CO 0.03 0.22 -1.34 1.28 -1.64 0.00 0.00 178.16 176.71 2dxb n LEU 104 N -4.82 0.28 0.04 2.82 4.77 -1.11 -4.55 117.00 114.43 2dxb n LEU 104 Ca 0.19 -0.19 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2dxb n LEU 104 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 2dxb n LEU 104 CO 0.21 0.07 -0.15 1.23 -1.33 0.00 0.00 177.39 177.42 2dxb h GLY 105 N 3.21 0.00 -2.98 -0.72 0.00 -0.58 -3.47 103.07 98.53 2dxb h GLY 105 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2dxb h GLY 105 CO 0.00 0.00 -0.38 1.06 0.00 0.00 0.00 176.54 177.22 2dxb s MET 106 N -2.76 3.28 0.65 4.80 -1.94 -0.63 -5.04 119.30 117.66 2dxb s MET 106 Ca -0.02 -0.87 -0.15 0.00 -1.71 0.00 0.00 55.69 52.94 2dxb s MET 106 Cb 0.09 -2.85 -0.00 0.00 2.01 0.00 0.00 34.83 34.07 2dxb s MET 106 CO 0.81 0.24 1.11 -2.14 -0.01 0.00 0.00 175.02 175.03 2dxb s PRO 107 N -4.09 2.81 0.11 2.03 0.02 -1.26 -4.89 135.00 129.74 2dxb s PRO 107 Ca 0.40 1.41 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 2dxb s PRO 107 Cb -0.09 -1.95 -0.10 0.00 0.02 0.00 0.00 34.50 32.38 2dxb s PRO 107 CO 0.30 -1.24 1.47 -0.92 -0.33 0.00 0.00 177.00 176.28 2dxb h TYR 108 N 0.08 -1.44 0.00 6.54 3.20 -1.97 -0.69 116.97 122.68 2dxb h TYR 108 Ca -0.47 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.47 2dxb h TYR 108 Cb 1.25 0.66 0.00 0.00 1.54 0.00 0.00 36.73 40.18 2dxb h TYR 108 CO 0.54 -0.44 0.00 1.88 -1.64 0.00 0.00 178.16 178.50 2dxb h TYR 109 N -0.40 0.00 -0.74 -3.82 0.99 -1.99 -2.62 116.97 108.39 2dxb h TYR 109 Ca 0.05 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 2dxb h TYR 109 Cb 0.54 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.24 2dxb h TYR 109 CO -0.66 0.00 0.25 0.78 -0.00 0.00 0.00 178.16 178.53 2dxb h GLY 110 N 2.28 1.21 1.62 3.88 0.00 -1.51 -0.50 103.07 110.06 2dxb h GLY 110 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 47.33 46.51 2dxb h GLY 110 CO 0.00 0.65 -0.44 3.21 0.00 0.00 0.00 176.54 179.96 2dxb h ARG 111 N 1.09 0.41 -0.52 4.80 3.08 -1.01 -1.16 114.38 121.07 2dxb h ARG 111 Ca 0.24 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2dxb h ARG 111 Cb 0.28 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 2dxb h ARG 111 CO -0.01 0.78 0.21 -1.49 -1.07 0.00 0.00 179.97 178.38 2dxb h TRP 112 N 0.34 0.79 -0.16 3.04 4.06 -1.29 -2.00 115.95 120.74 2dxb h TRP 112 Ca 0.03 -0.06 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 2dxb h TRP 112 Cb 0.91 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.83 2dxb h TRP 112 CO 0.03 0.65 -0.21 1.25 -3.56 0.00 0.00 178.44 176.60 2dxb h LEU 113 N 0.70 0.45 -0.80 -4.49 5.85 -0.90 -2.18 115.31 113.94 2dxb h LEU 113 Ca 0.17 -0.51 0.04 0.00 0.84 0.00 0.00 57.88 58.42 2dxb h LEU 113 Cb 0.20 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2dxb h LEU 113 CO -0.01 0.87 0.50 -0.07 -0.34 0.00 0.00 178.44 179.39 2dxb h LEU 114 N 0.04 0.83 -0.99 2.25 3.38 -1.20 -1.83 115.31 117.79 2dxb h LEU 114 Ca 0.02 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2dxb h LEU 114 Cb 0.77 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2dxb h LEU 114 CO 0.05 0.57 -0.49 0.74 0.09 0.00 0.00 178.44 179.40 2dxb h THR 115 N 0.98 1.30 -0.48 0.22 2.02 -1.36 0.41 112.91 116.00 2dxb h THR 115 Ca 0.32 -1.70 -0.07 0.00 0.77 0.00 0.00 66.41 65.73 2dxb h THR 115 Cb 0.03 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 2dxb h THR 115 CO -0.12 0.48 0.03 0.00 0.37 0.00 0.00 175.52 176.28 2dxb h ALA 116 N 1.51 0.64 -0.67 6.16 0.00 -0.71 -0.68 119.26 125.51 2dxb h ALA 116 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2dxb h ALA 116 Cb 0.89 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2dxb h ALA 116 CO 0.06 0.42 0.31 0.00 0.00 0.00 0.00 179.25 180.04 2dxb h ALA 117 N 0.94 0.87 -0.23 0.00 0.00 -0.84 -3.05 119.26 116.95 2dxb h ALA 117 Ca 0.14 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2dxb h ALA 117 Cb 0.47 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2dxb h ALA 117 CO 0.02 0.45 0.06 0.00 0.00 0.00 0.00 179.25 179.78 2dxb h ARG 118 N 0.94 0.15 -0.74 0.00 2.47 -0.41 -2.79 114.38 114.00 2dxb h ARG 118 Ca 0.23 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2dxb h ARG 118 Cb 0.15 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.40 2dxb h ARG 118 CO -0.03 0.10 0.48 0.97 0.56 0.00 0.00 179.97 182.06 2dxb h ILE 119 N 0.15 1.19 -0.88 2.04 -0.00 -1.04 0.18 117.51 119.14 2dxb h ILE 119 Ca 0.10 -0.35 -0.00 0.00 -0.00 0.00 0.00 64.86 64.61 2dxb h ILE 119 Cb 0.09 0.11 -0.04 0.00 -0.00 0.00 0.00 36.82 36.97 2dxb h ILE 119 CO -0.12 0.19 0.54 -0.07 -0.00 0.00 0.00 178.15 178.69 2dxb h LEU 120 N 1.00 1.05 0.15 2.19 3.38 -1.40 -2.39 115.31 119.30 2dxb h LEU 120 Ca 0.27 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 2dxb h LEU 120 Cb -0.11 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.40 2dxb h LEU 120 CO -0.06 0.79 -0.92 0.58 0.09 0.00 0.00 178.44 178.92 2dxb h VAL 121 N 1.21 1.46 -0.38 1.22 2.07 -1.13 0.12 116.25 120.82 2dxb h VAL 121 Ca 0.32 -2.55 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 2dxb h VAL 121 Cb -0.07 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 2dxb h VAL 121 CO -0.06 0.73 0.05 0.44 0.02 0.00 0.00 177.57 178.74 2dxb h ASP 122 N -0.32 0.53 -0.50 0.57 3.32 -0.66 -1.61 116.42 117.76 2dxb h ASP 122 Ca -0.17 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.80 2dxb h ASP 122 Cb 1.70 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 41.12 2dxb h ASP 122 CO 0.16 0.57 0.00 0.29 -1.72 0.00 0.00 179.24 178.54 2dxb n LYS 123 N -4.30 2.53 -3.21 3.56 5.02 -0.90 -4.94 118.16 115.92 2dxb n LYS 123 Ca 0.02 -1.94 -0.23 0.00 -2.02 0.00 0.00 58.31 54.14 2dxb n LYS 123 Cb 0.22 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.72 2dxb n LYS 123 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2dxb n GLN 124 N 0.89 -4.55 0.17 1.97 6.02 -0.60 -4.86 117.38 116.42 2dxb n GLN 124 Ca 0.18 0.74 0.07 0.00 -0.01 0.00 0.00 57.00 57.98 2dxb n GLN 124 Cb 0.54 -5.56 0.09 0.00 1.02 0.00 0.00 30.24 26.33 2dxb n GLN 124 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2dxb h PHE 125 N -1.34 0.00 -3.46 1.08 0.04 -1.02 -3.45 116.94 108.79 2dxb h PHE 125 Ca -0.50 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.13 2dxb h PHE 125 Cb 1.34 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 39.29 2dxb h PHE 125 CO 0.58 0.24 -0.45 0.14 -0.60 0.00 0.00 178.31 178.22 2dxb s VAL 126 N -3.09 0.08 0.49 -0.55 -7.23 -0.87 -5.03 120.40 104.19 2dxb s VAL 126 Ca 0.05 -0.70 -0.07 0.00 -1.81 0.00 0.00 61.98 59.45 2dxb s VAL 126 Cb 0.06 -0.52 -0.04 0.00 0.56 0.00 0.00 36.38 36.44 2dxb s VAL 126 CO 0.71 -0.38 0.82 0.42 -0.31 0.00 0.00 175.10 176.35 2dxb s THR 127 N -1.54 4.86 0.39 5.32 -4.23 -1.26 -4.22 115.64 114.96 2dxb s THR 127 Ca -0.13 0.36 0.06 0.00 -1.18 0.00 0.00 61.69 60.80 2dxb s THR 127 Cb -0.06 -3.84 0.23 0.00 1.34 0.00 0.00 72.50 70.16 2dxb s THR 127 CO 0.01 -0.83 2.00 0.25 -0.54 0.00 0.00 174.62 175.51 2dxb h LEU 128 N 0.33 0.46 -0.50 4.79 5.85 -1.96 -1.52 115.31 122.76 2dxb h LEU 128 Ca -0.47 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.25 2dxb h LEU 128 Cb 1.20 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2dxb h LEU 128 CO 0.62 0.40 0.28 0.74 -0.34 0.00 0.00 178.44 180.14 2dxb h THR 129 N 0.52 1.01 -0.63 1.05 2.02 -1.99 0.78 112.91 115.68 2dxb h THR 129 Ca 0.13 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2dxb h THR 129 Cb 0.06 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 2dxb h THR 129 CO -0.02 0.10 0.29 -0.33 0.37 0.00 0.00 175.52 175.93 2dxb h GLU 130 N 0.55 0.91 0.05 6.66 5.08 -1.68 -0.11 114.58 126.04 2dxb h GLU 130 Ca 0.21 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2dxb h GLU 130 Cb 0.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2dxb h GLU 130 CO -0.12 0.74 -0.02 1.25 -1.00 0.00 0.00 179.01 179.86 2dxb h LEU 131 N 0.87 -0.06 -0.53 1.33 5.85 -0.68 -0.12 115.31 121.97 2dxb h LEU 131 Ca 0.21 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2dxb h LEU 131 Cb 0.14 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2dxb h LEU 131 CO -0.02 0.04 0.31 0.45 -0.34 0.00 0.00 178.44 178.88 2dxb h HIS 132 N -0.15 0.58 -0.56 1.25 3.86 -0.70 -1.21 115.15 118.23 2dxb h HIS 132 Ca -0.01 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.14 2dxb h HIS 132 Cb 0.13 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 2dxb h HIS 132 CO -0.05 0.33 0.02 -0.91 0.86 0.00 0.00 177.93 178.18 2dxb h ASN 133 N 0.62 0.92 -0.54 2.45 2.35 -0.89 -1.22 115.58 119.26 2dxb h ASN 133 Ca 0.21 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2dxb h ASN 133 Cb 0.03 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 2dxb h ASN 133 CO -0.10 0.97 0.36 0.50 -1.65 0.00 0.00 177.43 177.51 2dxb h LYS 134 N 0.88 0.71 -0.57 0.81 1.63 -0.54 -0.16 116.57 119.33 2dxb h LYS 134 Ca 0.17 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2dxb h LYS 134 Cb 0.49 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2dxb h LYS 134 CO 0.02 0.47 0.37 0.82 -3.45 0.00 0.00 179.45 177.68 2dxb h ILE 135 N 0.73 1.12 -0.14 2.00 1.08 -0.81 -0.63 117.51 120.87 2dxb h ILE 135 Ca 0.20 -0.26 0.01 0.00 -0.39 0.00 0.00 64.86 64.42 2dxb h ILE 135 Cb -0.07 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 33.97 2dxb h ILE 135 CO -0.05 0.14 0.07 0.58 -0.69 0.00 0.00 178.15 178.20 2dxb h VAL 136 N 0.75 1.00 -0.53 1.67 2.07 -0.50 -0.94 116.25 119.77 2dxb h VAL 136 Ca 0.22 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.61 2dxb h VAL 136 Cb -0.06 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2dxb h VAL 136 CO -0.06 0.03 0.02 1.05 0.02 0.00 0.00 177.57 178.62 2dxb h GLU 137 N 0.15 0.90 -0.42 1.57 -0.00 -0.81 -2.34 114.58 113.63 2dxb h GLU 137 Ca 0.05 -0.25 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 2dxb h GLU 137 Cb 0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 28.75 28.64 2dxb h GLU 137 CO -0.04 0.88 0.27 1.98 -0.00 0.00 0.00 179.01 182.11 2dxb h MET 138 N 0.83 0.55 -0.95 1.06 4.05 -0.81 0.19 114.93 119.86 2dxb h MET 138 Ca 0.16 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 2dxb h MET 138 Cb 0.47 -0.12 -0.05 0.00 -0.80 0.00 0.00 31.60 31.10 2dxb h MET 138 CO 0.02 0.38 0.60 0.00 0.23 0.00 0.00 176.91 178.14 2dxb h ARG 139 N 0.56 1.28 -0.16 0.39 3.08 -0.93 -1.90 114.38 116.69 2dxb h ARG 139 Ca 0.15 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 2dxb h ARG 139 Cb -0.05 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.72 2dxb h ARG 139 CO -0.03 0.87 -0.65 0.93 -1.07 0.00 0.00 179.97 180.02 2dxb h GLU 140 N 1.30 0.60 -0.32 0.04 5.08 -0.92 -1.70 114.58 118.67 2dxb h GLU 140 Ca 0.35 -0.43 0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2dxb h GLU 140 Cb -0.10 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2dxb h GLU 140 CO -0.07 1.05 0.06 -0.09 -1.00 0.00 0.00 179.01 178.96 2dxb h ARG 141 N 0.44 0.16 -0.04 2.33 2.43 -0.17 0.18 114.38 119.72 2dxb h ARG 141 Ca -0.02 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2dxb h ARG 141 Cb 1.23 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.74 2dxb h ARG 141 CO 0.12 0.11 0.01 0.28 -1.51 0.00 0.00 179.97 178.98 2dxb h VAL 142 N 0.17 1.19 0.00 0.20 2.07 -1.27 -2.51 116.25 116.09 2dxb h VAL 142 Ca 0.15 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 2dxb h VAL 142 Cb 0.17 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2dxb h VAL 142 CO -0.20 0.15 -0.10 0.00 0.02 0.00 0.00 177.57 177.44 2dxb h ALA 143 N 0.79 1.21 0.00 1.67 0.00 -0.98 -2.33 119.26 119.62 2dxb h ALA 143 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2dxb h ALA 143 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2dxb h ALA 143 CO 0.00 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.03 2dxb h SER 144 N 0.00 0.00 0.00 0.00 4.64 -0.53 -3.47 113.55 114.19 2dxb h SER 144 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dxb h SER 144 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2dxb h SER 144 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 2dxb n GLY 145 N 1.14 0.79 0.15 -0.77 0.00 -0.88 -4.94 105.19 100.68 2dxb n GLY 145 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2dxb n GLY 145 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dxb h GLN 146 N 3.35 0.00 0.00 1.61 4.15 -1.65 -3.40 115.11 119.17 2dxb h GLN 146 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2dxb h GLN 146 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2dxb h GLN 146 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.31 2dxb n GLY 147 N 0.49 0.32 2.60 2.39 0.00 -1.24 -4.23 105.19 105.53 2dxb n GLY 147 Ca 0.03 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.96 2dxb n GLY 147 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dxb s LEU 148 N -1.56 0.38 0.00 0.99 2.96 0.24 -4.24 118.68 117.45 2dxb s LEU 148 Ca 0.00 -1.41 0.00 0.00 -0.22 0.00 0.00 54.13 52.50 2dxb s LEU 148 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 46.19 46.65 2dxb s LEU 148 CO 0.00 -0.37 0.00 0.61 -1.32 0.00 0.00 176.35 175.27 2dxb n GLY 149 N 4.85 1.59 0.54 7.98 0.00 -1.26 -1.22 105.19 117.68 2dxb n GLY 149 Ca 0.01 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.77 2dxb n GLY 149 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dxb n GLU 150 N 12.76 1.69 0.04 1.61 0.28 -1.26 -3.82 120.64 131.94 2dxb n GLU 150 Ca 0.00 -1.07 -0.22 0.00 -0.16 0.00 0.00 57.16 55.71 2dxb n GLU 150 Cb 0.00 -1.30 -0.14 0.00 1.43 0.00 0.00 31.44 31.43 2dxb n GLU 150 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 2dxb h TYR 151 N 1.88 0.61 -3.11 -1.84 -1.99 -1.65 -3.46 116.97 107.40 2dxb h TYR 151 Ca 0.00 -0.44 -0.34 0.00 2.00 0.00 0.00 58.73 59.95 2dxb h TYR 151 Cb 0.42 -0.02 -0.37 0.00 2.00 0.00 0.00 36.73 38.75 2dxb h TYR 151 CO 0.16 1.68 -0.68 -1.17 -0.00 0.00 0.00 178.16 178.15 2dxb s LEU 152 N -7.31 0.04 0.60 3.88 2.96 -0.36 -4.96 118.68 113.52 2dxb s LEU 152 Ca -0.18 0.10 -0.15 0.00 -0.22 0.00 0.00 54.13 53.67 2dxb s LEU 152 Cb 0.05 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 2dxb s LEU 152 CO 0.81 -0.27 1.05 -2.16 -1.32 0.00 0.00 176.35 174.46 2dxb s PRO 153 N 2.24 3.37 0.00 0.98 0.04 -1.26 0.81 135.00 141.18 2dxb s PRO 153 Ca 0.04 1.12 0.15 0.00 0.04 0.00 0.00 61.00 62.35 2dxb s PRO 153 Cb -0.13 -2.04 0.90 0.00 0.04 0.00 0.00 34.50 33.27 2dxb s PRO 153 CO -0.06 -0.76 1.31 -0.35 0.04 0.00 0.00 177.00 177.18