#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dxb h SER 3 N 0.00 1.11 -0.39 4.04 0.87 -2.05 0.52 113.55 117.65 2dxb h SER 3 Ca 0.00 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 2dxb h SER 3 Cb 0.00 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2dxb h SER 3 CO 0.00 0.77 -0.35 -1.28 -0.53 0.00 0.00 176.83 175.43 2dxb h SER 4 N 1.29 0.99 -0.20 6.23 0.87 -2.05 -1.03 113.55 119.65 2dxb h SER 4 Ca 0.40 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2dxb h SER 4 Cb -0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 2dxb h SER 4 CO -0.12 1.24 -0.02 0.40 -0.53 0.00 0.00 176.83 177.80 2dxb h ILE 5 N 0.75 1.27 -0.80 2.23 1.08 -1.80 -2.43 117.51 117.81 2dxb h ILE 5 Ca 0.07 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.62 2dxb h ILE 5 Cb 0.95 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 36.13 2dxb h ILE 5 CO 0.09 0.28 0.53 0.03 -0.69 0.00 0.00 178.15 178.39 2dxb h ARG 6 N 0.11 1.05 -0.64 2.37 2.47 0.07 0.71 114.38 120.52 2dxb h ARG 6 Ca 0.05 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2dxb h ARG 6 Cb 0.43 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 2dxb h ARG 6 CO 0.01 0.69 0.42 0.93 0.56 0.00 0.00 179.97 182.59 2dxb h GLU 7 N 1.08 0.83 -0.25 0.04 5.08 -1.11 -0.27 114.58 119.97 2dxb h GLU 7 Ca 0.30 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 2dxb h GLU 7 Cb -0.11 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2dxb h GLU 7 CO -0.07 0.55 -0.18 1.49 -1.00 0.00 0.00 179.01 179.80 2dxb h GLU 8 N 0.86 0.44 -0.12 2.33 4.81 -0.89 -0.20 114.58 121.81 2dxb h GLU 8 Ca 0.24 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2dxb h GLU 8 Cb -0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2dxb h GLU 8 CO -0.06 0.61 0.03 0.28 -0.73 0.00 0.00 179.01 179.14 2dxb h VAL 9 N 0.41 1.20 -0.14 0.32 2.07 0.16 0.08 116.25 120.34 2dxb h VAL 9 Ca 0.07 -0.64 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 2dxb h VAL 9 Cb 0.55 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2dxb h VAL 9 CO 0.04 0.19 -0.42 0.45 0.02 0.00 0.00 177.57 177.85 2dxb h HIS 10 N -0.01 0.37 -0.65 1.57 3.86 -0.92 -1.25 115.15 118.13 2dxb h HIS 10 Ca 0.04 -0.10 -0.08 0.00 -1.16 0.00 0.00 60.37 59.06 2dxb h HIS 10 Cb 0.27 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 2dxb h HIS 10 CO 0.01 0.69 0.09 -0.09 0.86 0.00 0.00 177.93 179.49 2dxb h ARG 11 N 0.26 1.07 -0.19 2.45 2.43 -0.91 -1.97 114.38 117.52 2dxb h ARG 11 Ca 0.02 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2dxb h ARG 11 Cb 0.85 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2dxb h ARG 11 CO 0.07 0.99 0.10 1.25 -1.51 0.00 0.00 179.97 180.86 2dxb h HIS 12 N 1.00 0.27 -0.64 2.20 2.76 -0.45 -0.96 115.15 119.33 2dxb h HIS 12 Ca 0.20 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2dxb h HIS 12 Cb 0.45 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 2dxb h HIS 12 CO 0.03 0.28 0.42 -0.07 -1.30 0.00 0.00 177.93 177.29 2dxb h LEU 13 N 0.19 0.68 -0.18 0.26 3.38 -1.00 -1.65 115.31 116.99 2dxb h LEU 13 Ca 0.07 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 2dxb h LEU 13 Cb 0.10 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dxb h LEU 13 CO -0.01 0.48 -0.61 1.23 0.09 0.00 0.00 178.44 179.62 2dxb h GLY 14 N 0.80 0.81 0.95 0.83 0.00 -1.10 -3.33 103.07 102.03 2dxb h GLY 14 Ca 0.25 -1.07 -0.05 0.00 0.00 0.00 0.00 47.33 46.46 2dxb h GLY 14 CO -0.06 0.95 0.09 -0.84 0.00 0.00 0.00 176.54 176.68 2dxb h THR 15 N 0.45 1.24 -0.12 4.70 2.02 -0.67 -3.00 112.91 117.53 2dxb h THR 15 Ca -0.02 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.35 2dxb h THR 15 Cb 1.24 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2dxb h THR 15 CO 0.13 0.29 0.11 -0.37 0.37 0.00 0.00 175.52 176.05 2dxb h VAL 16 N 0.57 0.70 0.00 3.16 -1.51 -1.43 0.65 116.25 118.40 2dxb h VAL 16 Ca 0.13 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.60 2dxb h VAL 16 Cb 0.34 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 2dxb h VAL 16 CO 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 176.31 2dxb h ALA 17 N 1.90 1.70 0.00 5.19 0.00 -1.63 -0.55 119.26 125.87 2dxb h ALA 17 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 17 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2dxb h ALA 17 CO -0.00 0.05 -0.29 -0.07 0.00 0.00 0.00 179.25 178.93 2dxb h LEU 18 N 0.00 0.00 -1.57 0.00 3.38 -1.00 -2.81 115.31 113.31 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 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2dxb h LEU 18 CO 0.00 0.29 0.00 0.23 0.09 0.00 0.00 178.44 179.06 2dxb n MET 19 N -3.81 2.03 -1.60 1.13 2.81 -0.23 -4.94 117.12 112.52 2dxb n MET 19 Ca -0.01 -1.55 -0.51 0.00 -1.81 0.00 0.00 57.70 53.82 2dxb n MET 19 Cb 0.38 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 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 0.78 1.56 -1.64 0.03 -0.06 -1.06 -4.89 117.38 112.10 2dxb n GLN 20 Ca 0.17 0.52 -0.38 0.00 -2.00 0.00 0.00 57.00 55.31 2dxb n GLN 20 Cb 0.44 -2.52 0.05 0.00 -4.06 0.00 0.00 30.24 24.15 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 7.15 1.02 -3.65 3.69 -0.02 -1.26 -5.03 135.00 136.91 2dxb n PRO 21 Ca 0.31 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 2dxb n PRO 21 Cb 0.25 -2.24 -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 -1.47 -1.62 -0.51 3.55 0.00 -1.26 -5.09 121.76 115.37 2dxb s ALA 22 Ca 0.75 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 2dxb s ALA 22 Cb -0.42 0.65 0.12 0.00 0.00 0.00 0.00 23.12 23.48 2dxb s ALA 22 CO 0.47 -0.90 0.43 -0.51 0.00 0.00 0.00 175.76 175.25 2dxb s LEU 23 N -2.78 5.94 -0.49 0.00 1.43 -1.26 -5.03 118.68 116.49 2dxb s LEU 23 Ca 0.08 -1.80 -0.18 0.00 -1.03 0.00 0.00 54.13 51.20 2dxb s LEU 23 Cb -0.02 -2.13 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2dxb s LEU 23 CO -0.03 -0.78 0.56 -2.28 0.23 0.00 0.00 176.35 174.05 2dxb s HIS 24 N 1.51 3.11 -0.40 0.29 2.46 -1.26 -5.03 115.29 115.96 2dxb s HIS 24 Ca 0.04 -0.65 -0.10 0.00 0.47 0.00 0.00 55.06 54.82 2dxb s HIS 24 Cb -0.28 -3.42 0.06 0.00 -0.13 0.00 0.00 32.58 28.81 2dxb s HIS 24 CO 0.02 -0.96 0.24 -1.14 -2.47 0.00 0.00 174.74 170.43 2dxb s GLN 25 N 2.33 2.71 0.30 2.88 0.74 -1.26 -5.07 119.66 122.29 2dxb s GLN 25 Ca 0.12 -1.30 -0.29 0.00 0.05 0.00 0.00 55.36 53.93 2dxb s GLN 25 Cb -0.21 -3.78 -0.10 0.00 1.10 0.00 0.00 33.01 30.03 2dxb s GLN 25 CO 0.10 -0.86 1.14 -0.65 -0.55 0.00 0.00 175.29 174.47 2dxb s GLN 26 N 1.49 4.56 -0.21 1.67 -0.21 -1.26 -5.02 119.66 120.68 2dxb s GLN 26 Ca 0.02 1.87 -0.06 0.00 0.02 0.00 0.00 55.36 57.21 2dxb s GLN 26 Cb -0.22 -3.14 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 2dxb s GLN 26 CO 0.04 0.12 0.03 0.95 -2.12 0.00 0.00 175.29 174.31 2dxb s THR 27 N -1.18 4.24 -0.60 -0.19 -4.23 -1.26 -5.03 115.64 107.39 2dxb s THR 27 Ca 0.46 -0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.82 2dxb s THR 27 Cb -0.33 -2.93 0.25 0.00 1.34 0.00 0.00 72.50 70.82 2dxb s THR 27 CO 0.43 0.41 0.69 1.41 -0.54 0.00 0.00 174.62 177.02 2dxb n HIS 28 N 4.25 2.88 -3.48 3.99 8.25 -1.26 -4.92 115.22 124.93 2dxb n HIS 28 Ca -0.17 -4.05 -0.17 0.00 -0.26 0.00 0.00 57.72 53.08 2dxb n HIS 28 Cb 0.52 -0.52 0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 1.02 -2.63 -1.31 -1.41 0.00 -1.26 -4.93 120.51 110.00 2dxb n ALA 29 Ca 0.28 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 2dxb n ALA 29 Cb 0.43 -1.92 0.08 0.00 0.00 0.00 0.00 19.45 18.04 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 -4.44 2.33 0.75 0.00 0.04 -1.26 -5.01 135.00 127.41 2dxb s PRO 30 Ca 0.12 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 2dxb s PRO 30 Cb -0.04 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.65 2dxb s PRO 30 CO 0.83 -1.61 1.12 0.00 0.04 0.00 0.00 177.00 177.38 2dxb s ALA 31 N -2.58 2.19 0.44 8.56 0.00 -1.26 -4.90 121.76 124.21 2dxb s ALA 31 Ca 0.65 0.48 0.17 0.00 0.00 0.00 0.00 51.96 53.26 2dxb s ALA 31 Cb -0.20 -3.34 1.09 0.00 0.00 0.00 0.00 23.12 20.67 2dxb s ALA 31 CO 0.50 -1.77 1.91 -1.35 0.00 0.00 0.00 175.76 175.05 2dxb h PRO 32 N -0.76 0.37 0.00 0.00 0.11 -1.96 0.03 132.00 129.78 2dxb h PRO 32 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2dxb h PRO 32 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dxb h PRO 32 CO 0.51 0.24 0.00 0.25 -0.21 0.00 0.00 178.00 178.79 2dxb n THR 33 N -4.47 0.57 0.96 -1.15 -2.24 -1.26 -1.72 114.28 104.97 2dxb n THR 33 Ca 0.15 0.14 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 2dxb n THR 33 Cb 0.57 -0.90 0.09 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.28 2.11 -3.63 -0.78 -0.58 -0.00 -4.85 120.64 111.63 2dxb n GLU 34 Ca 0.07 -1.80 -0.39 0.00 -0.42 0.00 0.00 57.16 54.62 2dxb n GLU 34 Cb 0.11 -1.44 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 2dxb n GLU 34 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2dxb s ILE 35 N -1.95 4.67 0.67 -3.67 -1.09 -0.70 -5.01 121.20 114.12 2dxb s ILE 35 Ca 0.26 -0.51 -0.05 0.00 -2.23 0.00 0.00 60.65 58.12 2dxb s ILE 35 Cb 0.19 -3.44 0.06 0.00 -1.58 0.00 0.00 42.46 37.69 2dxb s ILE 35 CO 0.31 -0.02 0.96 0.42 -1.23 0.00 0.00 174.94 175.38 2dxb s THR 36 N 1.61 2.36 0.24 2.92 -4.23 -1.26 -4.86 115.64 112.42 2dxb s THR 36 Ca 0.04 -0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 60.13 2dxb s THR 36 Cb -0.18 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 70.85 2dxb s THR 36 CO 0.07 0.00 1.83 -0.74 -0.54 0.00 0.00 174.62 175.24 2dxb h HIS 37 N -0.45 1.14 -0.19 3.99 2.76 -1.98 0.14 115.15 120.55 2dxb h HIS 37 Ca -0.44 -0.06 0.01 0.00 -2.20 0.00 0.00 60.37 57.68 2dxb h HIS 37 Cb 1.31 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 2dxb h HIS 37 CO 0.32 0.84 0.11 1.15 -1.30 0.00 0.00 177.93 179.05 2dxb h THR 38 N 1.12 1.02 -0.53 6.26 2.02 -1.99 -0.51 112.91 120.29 2dxb h THR 38 Ca 0.27 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.32 2dxb h THR 38 Cb 0.15 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2dxb h THR 38 CO -0.03 0.04 0.13 -0.07 0.37 0.00 0.00 175.52 175.97 2dxb h LEU 39 N 0.23 0.81 -0.50 2.58 4.07 -1.85 -1.71 115.31 118.94 2dxb h LEU 39 Ca 0.07 -0.23 0.05 0.00 0.08 0.00 0.00 57.88 57.86 2dxb h LEU 39 Cb -0.00 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.48 2dxb h LEU 39 CO -0.04 0.83 0.24 0.15 -1.08 0.00 0.00 178.44 178.54 2dxb h PHE 40 N 0.75 0.43 -0.39 1.13 3.57 -0.39 0.83 116.94 122.86 2dxb h PHE 40 Ca 0.17 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 2dxb h PHE 40 Cb 0.33 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2dxb h PHE 40 CO 0.02 0.20 -0.13 -0.09 -2.23 0.00 0.00 178.31 176.08 2dxb h ARG 41 N 0.46 0.70 -0.42 1.11 2.43 -0.93 -1.87 114.38 115.87 2dxb h ARG 41 Ca 0.23 -0.23 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2dxb h ARG 41 Cb 0.16 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2dxb h ARG 41 CO -0.18 0.80 -0.08 0.00 -1.51 0.00 0.00 179.97 179.01 2dxb h ALA 42 N 1.22 0.58 -0.13 2.80 0.00 -0.43 -2.38 119.26 120.91 2dxb h ALA 42 Ca 0.11 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2dxb h ALA 42 Cb 0.58 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2dxb h ALA 42 CO 0.04 0.44 -0.61 1.88 0.00 0.00 0.00 179.25 181.00 2dxb h TYR 43 N 0.63 0.60 -0.43 0.00 0.05 -0.77 -3.13 116.97 113.92 2dxb h TYR 43 Ca 0.11 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2dxb h TYR 43 Cb 0.60 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.24 2dxb h TYR 43 CO 0.05 0.96 0.00 0.25 -1.05 0.00 0.00 178.16 178.36 2dxb n THR 44 N -3.91 0.59 -0.70 -2.88 -2.24 -0.71 -4.94 114.28 99.49 2dxb n THR 44 Ca -0.03 -0.58 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 2dxb n THR 44 Cb 0.64 0.28 0.22 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.44 -0.23 -0.33 -0.78 1.70 -0.90 -4.97 118.95 112.01 2dxb s ARG 45 Ca 0.29 0.93 -0.15 0.00 -0.47 0.00 0.00 55.73 56.33 2dxb s ARG 45 Cb 0.15 -1.63 -0.02 0.00 -0.57 0.00 0.00 34.95 32.89 2dxb s ARG 45 CO 0.19 -3.29 0.35 0.08 -1.08 0.00 0.00 175.30 171.56 2dxb s VAL 46 N -2.59 5.18 0.35 4.99 1.01 -1.26 -4.98 120.40 123.09 2dxb s VAL 46 Ca 0.67 0.12 0.16 0.00 0.00 0.00 0.00 61.98 62.93 2dxb s VAL 46 Cb -0.23 -3.78 0.34 0.00 0.00 0.00 0.00 36.38 32.70 2dxb s VAL 46 CO 0.62 -0.03 1.66 -0.65 0.00 0.00 0.00 175.10 176.70 2dxb h PRO 47 N 8.42 0.29 0.00 2.72 0.11 -1.82 -2.27 132.00 139.45 2dxb h PRO 47 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2dxb h PRO 47 Cb 1.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2dxb h PRO 47 CO 0.68 0.20 0.00 -2.39 -0.21 0.00 0.00 178.00 176.27 2dxb n HIS 48 N -5.03 0.59 -2.72 0.65 1.44 -1.14 -4.45 115.22 104.57 2dxb n HIS 48 Ca 0.32 0.22 -0.43 0.00 -2.01 0.00 0.00 57.72 55.82 2dxb n HIS 48 Cb 1.02 -0.86 -0.00 0.00 0.12 0.00 0.00 29.99 30.27 2dxb n HIS 48 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2dxb s ASP 49 N -3.92 6.89 0.00 4.39 2.15 -0.86 -4.69 116.67 120.64 2dxb s ASP 49 Ca 0.06 -2.57 0.15 0.00 0.43 0.00 0.00 52.55 50.62 2dxb s ASP 49 Cb 0.10 -2.51 -0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2dxb s ASP 49 CO 0.39 -1.04 0.75 1.33 -0.17 0.00 0.00 175.17 176.44 2dxb n VAL 50 N 5.77 0.00 -1.67 1.11 0.24 -1.26 -4.97 118.33 117.54 2dxb n VAL 50 Ca 0.43 -0.29 -0.51 0.00 -2.04 0.00 0.00 64.34 61.93 2dxb n VAL 50 Cb 0.45 1.12 -0.06 0.00 -1.47 0.00 0.00 33.84 33.89 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 1.18 1.05 0.31 7.63 0.00 -1.26 -1.96 105.19 112.13 2dxb n GLY 51 Ca 0.05 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 3.85 0.70 3.77 -0.02 0.00 -1.26 -5.06 105.19 107.18 2dxb n GLY 52 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.90 4.00 0.37 1.61 2.02 -0.83 -4.97 118.70 120.00 2dxb s GLU 53 Ca 0.00 1.72 -0.27 0.00 0.02 0.00 0.00 54.97 56.44 2dxb s GLU 53 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.58 2dxb s GLU 53 CO 0.00 -0.33 1.23 0.00 0.02 0.00 0.00 175.26 176.18 2dxb s ALA 54 N -1.52 3.30 0.18 5.21 0.00 -1.26 -5.02 121.76 122.64 2dxb s ALA 54 Ca 0.59 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 2dxb s ALA 54 Cb -0.27 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.45 2dxb s ALA 54 CO 0.34 -0.59 0.49 0.34 0.00 0.00 0.00 175.76 176.34 2dxb s ASP 55 N -0.83 -0.25 0.60 0.00 -1.08 -1.26 -5.18 116.67 108.67 2dxb s ASP 55 Ca 0.53 -0.46 -0.01 0.00 -0.52 0.00 0.00 52.55 52.10 2dxb s ASP 55 Cb -0.35 0.55 0.05 0.00 -1.46 0.00 0.00 42.92 41.71 2dxb s ASP 55 CO 0.45 -1.01 0.85 0.68 0.52 0.00 0.00 175.17 176.67 2dxb s VAL 56 N -3.86 2.53 0.19 1.11 -7.23 -1.26 -5.07 120.40 106.81 2dxb s VAL 56 Ca 0.08 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 2dxb s VAL 56 Cb -0.00 -2.95 -0.08 0.00 0.56 0.00 0.00 36.38 33.91 2dxb s VAL 56 CO -0.05 0.00 0.79 -2.84 -0.31 0.00 0.00 175.10 172.70 2dxb s PRO 57 N -4.90 4.55 0.03 4.82 0.02 -1.26 -5.06 135.00 133.20 2dxb s PRO 57 Ca 0.59 1.15 0.02 0.00 0.02 0.00 0.00 61.00 62.79 2dxb s PRO 57 Cb -0.10 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.23 2dxb s PRO 57 CO 0.40 0.52 -0.08 0.96 -0.33 0.00 0.00 177.00 178.47 2dxb s ILE 58 N -1.24 0.58 -0.65 2.83 -4.36 -1.26 -5.08 121.20 112.02 2dxb s ILE 58 Ca 0.38 -0.91 -0.27 0.00 -0.26 0.00 0.00 60.65 59.59 2dxb s ILE 58 Cb -0.22 -0.60 0.01 0.00 1.25 0.00 0.00 42.46 42.89 2dxb s ILE 58 CO 0.26 -0.25 1.54 -0.70 0.24 0.00 0.00 174.94 176.03 2dxb s GLU 59 N -1.26 3.00 0.49 0.37 2.12 -1.26 -4.96 118.70 117.20 2dxb s GLU 59 Ca -0.06 0.25 -0.24 0.00 0.36 0.00 0.00 54.97 55.28 2dxb s GLU 59 Cb -0.08 -4.25 -0.07 0.00 0.26 0.00 0.00 34.13 29.99 2dxb s GLU 59 CO 0.00 -2.32 1.36 0.66 -0.54 0.00 0.00 175.26 174.42 2dxb n TYR 60 N 10.71 2.38 -4.19 5.30 4.01 -1.26 -5.02 117.16 129.09 2dxb n TYR 60 Ca 0.12 0.45 -0.12 0.00 -0.16 0.00 0.00 57.90 58.19 2dxb n TYR 60 Cb 0.50 -2.40 -0.10 0.00 -0.31 0.00 0.00 39.34 37.03 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 -1.24 1.01 0.38 -0.72 -3.43 -1.26 -5.16 115.29 104.88 2dxb s HIS 61 Ca 0.66 -1.03 0.02 0.00 -0.80 0.00 0.00 55.06 53.90 2dxb s HIS 61 Cb -0.45 -0.59 -0.01 0.00 -1.43 0.00 0.00 32.58 30.10 2dxb s HIS 61 CO 0.54 -0.26 0.58 -1.21 -2.00 0.00 0.00 174.74 172.38 2dxb s GLU 62 N -3.92 3.21 -0.03 -0.38 0.41 -1.26 -5.12 118.70 111.62 2dxb s GLU 62 Ca 0.20 -0.57 -0.01 0.00 -0.41 0.00 0.00 54.97 54.17 2dxb s GLU 62 Cb 0.06 -2.66 0.02 0.00 -1.78 0.00 0.00 34.13 29.77 2dxb s GLU 62 CO 0.00 -0.04 0.06 0.21 -0.49 0.00 0.00 175.26 175.00 2dxb s LYS 63 N -4.37 0.04 0.40 1.61 2.20 -1.26 -5.13 119.74 113.23 2dxb s LYS 63 Ca 0.44 0.15 -0.25 0.00 -0.36 0.00 0.00 55.97 55.95 2dxb s LYS 63 Cb -0.10 -0.08 -0.08 0.00 -1.51 0.00 0.00 37.83 36.06 2dxb s LYS 63 CO 0.35 -0.07 1.20 -1.21 -0.36 0.00 0.00 175.35 175.26 2dxb s GLU 64 N 0.49 4.03 0.08 4.03 2.02 -1.26 -4.98 118.70 123.10 2dxb s GLU 64 Ca -0.04 1.91 -0.30 0.00 0.02 0.00 0.00 54.97 56.56 2dxb s GLU 64 Cb -0.05 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2dxb s GLU 64 CO -0.02 -0.36 0.99 -2.00 0.02 0.00 0.00 175.26 173.89 2dxb s GLU 65 N -2.29 4.63 0.40 1.61 2.12 -1.26 -5.04 118.70 118.88 2dxb s GLU 65 Ca 0.57 1.48 -0.19 0.00 0.36 0.00 0.00 54.97 57.19 2dxb s GLU 65 Cb -0.32 -3.39 -0.10 0.00 0.26 0.00 0.00 34.13 30.57 2dxb s GLU 65 CO 0.41 0.09 0.88 -1.21 -0.54 0.00 0.00 175.26 174.90 2dxb s GLU 66 N 0.35 4.15 0.21 4.30 0.41 -1.26 -4.96 118.70 121.89 2dxb s GLU 66 Ca 0.49 0.97 -0.10 0.00 -0.41 0.00 0.00 54.97 55.93 2dxb s GLU 66 Cb -0.23 -2.26 0.25 0.00 -1.78 0.00 0.00 34.13 30.11 2dxb s GLU 66 CO 0.30 0.02 1.78 0.82 -0.49 0.00 0.00 175.26 177.68 2dxb h ILE 67 N 1.88 0.87 0.00 -1.63 1.08 -2.00 -0.76 117.51 116.95 2dxb h ILE 67 Ca -0.49 -0.18 -0.03 0.00 -0.39 0.00 0.00 64.86 63.77 2dxb h ILE 67 Cb 1.18 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2dxb h ILE 67 CO 0.62 0.10 -0.15 4.11 -0.69 0.00 0.00 178.15 182.14 2dxb h TRP 68 N 0.53 0.00 -0.22 1.37 5.08 -1.99 -1.89 115.95 118.84 2dxb h TRP 68 Ca 0.29 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 60.06 2dxb h TRP 68 Cb 0.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.44 2dxb h TRP 68 CO -0.12 0.15 -0.66 0.93 -1.28 0.00 0.00 178.44 177.46 2dxb h GLU 69 N 0.00 0.81 -0.40 0.12 5.08 -1.53 -0.79 114.58 117.87 2dxb h GLU 69 Ca -0.00 -0.58 -0.13 0.00 -1.00 0.00 0.00 59.36 57.65 2dxb h GLU 69 Cb 0.39 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2dxb h GLU 69 CO 0.02 1.20 -0.27 1.25 -1.00 0.00 0.00 179.01 180.21 2dxb h LEU 70 N 0.59 0.87 -0.69 1.33 5.85 -1.04 -1.16 115.31 121.06 2dxb h LEU 70 Ca -0.02 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.24 2dxb h LEU 70 Cb 1.27 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2dxb h LEU 70 CO 0.14 1.09 -0.26 0.78 -0.34 0.00 0.00 178.44 179.85 2dxb h ASN 71 N 0.72 0.75 -0.34 1.25 2.35 -1.30 -1.62 115.58 117.40 2dxb h ASN 71 Ca 0.09 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.50 2dxb h ASN 71 Cb 0.82 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 2dxb h ASN 71 CO 0.07 0.98 0.00 0.74 -1.65 0.00 0.00 177.43 177.57 2dxb h THR 72 N 0.64 1.26 -0.04 2.81 2.02 -0.98 -0.25 112.91 118.37 2dxb h THR 72 Ca 0.08 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2dxb h THR 72 Cb 0.77 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2dxb h THR 72 CO 0.06 0.32 0.02 0.15 0.37 0.00 0.00 175.52 176.44 2dxb h PHE 73 N 0.41 0.05 -0.84 3.16 3.57 -1.11 -0.70 116.94 121.48 2dxb h PHE 73 Ca 0.10 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2dxb h PHE 73 Cb 0.45 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 2dxb h PHE 73 CO 0.04 0.03 0.54 0.00 -2.23 0.00 0.00 178.31 176.70 2dxb h ALA 74 N 1.01 1.08 -0.39 2.41 0.00 -1.21 -1.54 119.26 120.62 2dxb h ALA 74 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2dxb h ALA 74 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2dxb h ALA 74 CO -0.00 0.42 0.21 1.15 0.00 0.00 0.00 179.25 181.02 2dxb h THR 75 N 1.09 1.15 -0.58 0.00 2.02 -0.72 0.20 112.91 116.08 2dxb h THR 75 Ca 0.32 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2dxb h THR 75 Cb -0.06 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 2dxb h THR 75 CO -0.09 0.16 0.27 0.00 0.37 0.00 0.00 175.52 176.23 2dxb h GLU 77 N 0.78 0.23 -0.33 0.00 4.39 -1.18 -2.53 114.58 115.95 2dxb h GLU 77 Ca 0.20 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 2dxb h GLU 77 Cb 0.12 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2dxb h GLU 77 CO -0.02 0.75 -0.41 0.00 -1.16 0.00 0.00 179.01 178.17 2dxb h LEU 79 N 0.65 1.06 -0.13 0.00 3.38 -0.90 -0.31 115.31 119.06 2dxb h LEU 79 Ca 0.05 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2dxb h LEU 79 Cb 0.97 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2dxb h LEU 79 CO 0.09 0.88 -0.28 0.00 0.09 0.00 0.00 178.44 179.22 2dxb h ALA 80 N 1.29 0.21 -0.77 1.53 0.00 -1.20 0.56 119.26 120.87 2dxb h ALA 80 Ca 0.29 -0.40 0.15 0.00 0.00 0.00 0.00 54.91 54.94 2dxb h ALA 80 Cb 0.08 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 2dxb h ALA 80 CO -0.04 0.21 0.32 2.35 0.00 0.00 0.00 179.25 182.09 2dxb h TRP 81 N 0.00 0.55 -0.36 0.00 7.01 0.14 -1.42 115.95 121.87 2dxb h TRP 81 Ca 0.00 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2dxb h TRP 81 Cb 0.87 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 27.81 2dxb h TRP 81 CO 0.10 0.07 0.00 0.54 -2.79 0.00 0.00 178.44 176.37 2dxb n ARG 82 N -4.99 3.42 -1.12 2.65 5.12 -0.16 -4.93 116.66 116.65 2dxb n ARG 82 Ca 0.15 -1.96 -0.04 0.00 -1.93 0.00 0.00 57.85 54.07 2dxb n ARG 82 Cb 0.43 -1.98 -0.02 0.00 -1.16 0.00 0.00 32.46 29.73 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 0.38 0.69 0.14 -0.13 0.00 -0.54 -4.91 105.19 100.81 2dxb n GLY 83 Ca 0.17 -0.63 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 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 1.47 -2.41 1.61 2.07 -1.09 -3.48 116.25 114.42 2dxb h VAL 84 Ca -0.08 -2.32 0.17 0.00 0.82 0.00 0.00 66.70 65.28 2dxb h VAL 84 Cb 0.32 2.25 -0.06 0.00 -1.52 0.00 0.00 31.29 32.28 2dxb h VAL 84 CO 0.12 0.67 0.51 -1.66 0.02 0.00 0.00 177.57 177.24 2dxb s TRP 85 N -3.47 -0.05 0.35 1.57 -2.14 -1.24 -5.01 118.94 108.94 2dxb s TRP 85 Ca -0.02 -0.30 0.08 0.00 2.66 0.00 0.00 56.10 58.52 2dxb s TRP 85 Cb 0.12 0.67 -0.03 0.00 -3.10 0.00 0.00 33.47 31.12 2dxb s TRP 85 CO 0.79 -0.88 0.26 0.95 -2.66 0.00 0.00 176.95 175.41 2dxb s THR 86 N -2.86 3.25 0.40 0.66 -4.23 -1.26 -4.15 115.64 107.45 2dxb s THR 86 Ca 0.15 -1.46 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2dxb s THR 86 Cb -0.02 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.98 2dxb s THR 86 CO 0.04 -0.15 2.04 0.00 -0.54 0.00 0.00 174.62 176.01 2dxb h ALA 87 N 1.30 1.67 -0.61 3.99 0.00 -1.96 -2.12 119.26 121.52 2dxb h ALA 87 Ca -0.44 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2dxb h ALA 87 Cb 1.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 2dxb h ALA 87 CO 0.60 0.30 0.10 0.93 0.00 0.00 0.00 179.25 181.17 2dxb h GLU 88 N 0.57 0.99 -0.67 0.00 4.39 -1.99 0.14 114.58 118.01 2dxb h GLU 88 Ca 0.15 -0.25 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 2dxb h GLU 88 Cb -0.03 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 2dxb h GLU 88 CO -0.03 0.91 0.15 0.93 -1.16 0.00 0.00 179.01 179.81 2dxb h GLU 89 N 0.93 1.08 -0.00 2.33 5.08 -1.80 -2.20 114.58 120.00 2dxb h GLU 89 Ca 0.19 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2dxb h GLU 89 Cb 0.41 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 2dxb h GLU 89 CO 0.01 0.97 0.00 -0.09 -1.00 0.00 0.00 179.01 178.90 2dxb h ARG 90 N 1.01 0.00 -0.51 2.33 2.43 -0.93 -2.24 114.38 116.47 2dxb h ARG 90 Ca 0.21 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 2dxb h ARG 90 Cb 0.39 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 2dxb h ARG 90 CO 0.01 0.09 0.22 0.00 -1.51 0.00 0.00 179.97 178.77 2dxb h ARG 91 N -0.09 0.41 -0.81 0.20 3.08 -0.83 0.49 114.38 116.84 2dxb h ARG 91 Ca 0.00 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dxb h ARG 91 Cb 0.09 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 2dxb h ARG 91 CO -0.00 0.27 0.49 -0.09 -1.07 0.00 0.00 179.97 179.57 2dxb h ARG 92 N 0.42 1.09 0.08 0.04 1.12 -1.30 0.34 114.38 116.17 2dxb h ARG 92 Ca 0.24 -0.10 -0.28 0.00 -1.11 0.00 0.00 59.98 58.73 2dxb h ARG 92 Cb 0.22 -0.23 0.02 0.00 -0.01 0.00 0.00 29.97 29.97 2dxb h ARG 92 CO -0.21 0.77 -1.16 0.87 -3.11 0.00 0.00 179.97 177.13 2dxb h LYS 93 N 1.10 0.58 0.22 0.20 1.57 -0.89 -0.55 116.57 118.81 2dxb h LYS 93 Ca 0.29 -0.73 -0.31 0.00 -1.87 0.00 0.00 60.65 58.03 2dxb h LYS 93 Cb -0.04 0.23 0.04 0.00 0.08 0.00 0.00 32.23 32.54 2dxb h LYS 93 CO -0.05 1.31 -1.33 0.37 -0.57 0.00 0.00 179.45 179.18 2dxb h GLN 94 N 0.28 0.52 -0.01 3.15 4.15 0.11 -3.13 115.11 120.17 2dxb h GLN 94 Ca -0.16 -0.85 0.00 0.00 0.77 0.00 0.00 58.65 58.42 2dxb h GLN 94 Cb 1.82 0.31 0.00 0.00 0.21 0.00 0.00 27.48 29.82 2dxb h GLN 94 CO 0.22 1.40 -0.36 0.09 -1.93 0.00 0.00 178.83 178.25 2dxb n ASN 95 N -3.80 1.83 0.03 -0.69 3.02 0.12 -4.57 115.26 111.19 2dxb n ASN 95 Ca -0.16 -1.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 2dxb n ASN 95 Cb 1.04 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.65 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 0.63 0.00 5.19 -1.12 -2.17 116.42 118.95 2dxb h ASP 97 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2dxb h ASP 97 Cb 0.35 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.86 2dxb h ASP 97 CO 0.00 0.01 0.00 -0.37 -3.12 0.00 0.00 179.24 175.76 2dxb h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.79 -3.49 116.25 108.12 2dxb h VAL 98 Ca -0.00 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 2dxb h VAL 98 Cb 0.03 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 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 -0.39 -1.64 0.31 5.19 0.00 -0.82 -4.33 105.19 103.52 2dxb n GLY 99 Ca -0.01 -1.45 0.01 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 -0.03 0.41 1.61 5.75 -1.94 -0.00 115.11 120.91 2dxb h GLN 100 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 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 -0.20 1.15 -2.65 0.00 0.00 178.83 177.12 2dxb h THR 101 N -0.03 0.60 -0.07 2.39 2.02 -2.00 -2.99 112.91 112.84 2dxb h THR 101 Ca 0.36 -0.08 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 2dxb h THR 101 Cb 0.58 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 2dxb h THR 101 CO -0.81 0.02 -0.41 0.58 0.37 0.00 0.00 175.52 175.27 2dxb h VAL 102 N -0.59 1.30 -0.56 3.16 2.07 -1.71 -0.42 116.25 119.50 2dxb h VAL 102 Ca -0.06 -1.47 0.06 0.00 0.82 0.00 0.00 66.70 66.05 2dxb h VAL 102 Cb 0.45 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 2dxb h VAL 102 CO 0.09 0.43 0.37 0.22 0.02 0.00 0.00 177.57 178.70 2dxb h TYR 103 N 0.12 0.52 0.00 1.57 3.20 -0.85 -2.28 116.97 119.26 2dxb h TYR 103 Ca 0.01 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2dxb h TYR 103 Cb 0.78 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.87 2dxb h TYR 103 CO 0.01 0.28 -0.43 1.28 -1.64 0.00 0.00 178.16 177.66 2dxb n LEU 104 N -4.47 0.22 0.01 2.82 4.77 -1.15 -4.65 117.00 114.55 2dxb n LEU 104 Ca 0.08 -0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 55.54 2dxb n LEU 104 Cb 0.23 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.19 2dxb n LEU 104 CO 0.34 0.06 -0.31 1.23 -1.33 0.00 0.00 177.39 177.38 2dxb h GLY 105 N 1.28 0.04 -2.97 -0.72 0.00 -0.98 -3.47 103.07 96.24 2dxb h GLY 105 Ca 0.00 -0.10 -0.45 0.00 0.00 0.00 0.00 47.33 46.78 2dxb h GLY 105 CO 0.00 0.09 -0.38 1.06 0.00 0.00 0.00 176.54 177.31 2dxb s MET 106 N -2.63 3.28 0.64 4.80 -1.94 -0.87 -5.05 119.30 117.54 2dxb s MET 106 Ca -0.04 -0.86 -0.15 0.00 -1.71 0.00 0.00 55.69 52.92 2dxb s MET 106 Cb 0.08 -2.85 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 2dxb s MET 106 CO 0.82 0.24 1.10 -2.14 -0.01 0.00 0.00 175.02 175.03 2dxb s PRO 107 N -4.09 2.94 0.07 2.03 0.02 -1.26 -4.90 135.00 129.81 2dxb s PRO 107 Ca 0.40 1.36 -0.16 0.00 0.02 0.00 0.00 61.00 62.62 2dxb s PRO 107 Cb -0.09 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.41 2dxb s PRO 107 CO 0.30 -1.14 1.27 -0.92 -0.33 0.00 0.00 177.00 176.19 2dxb h TYR 108 N 0.18 -0.88 0.00 6.54 3.20 -1.97 -1.04 116.97 122.99 2dxb h TYR 108 Ca -0.47 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2dxb h TYR 108 Cb 1.24 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.93 2dxb h TYR 108 CO 0.55 -0.23 0.00 1.88 -1.64 0.00 0.00 178.16 178.72 2dxb h TYR 109 N -0.15 0.00 -0.61 -3.82 0.05 -1.99 -2.32 116.97 108.13 2dxb h TYR 109 Ca 0.05 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 2dxb h TYR 109 Cb 0.27 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.99 2dxb h TYR 109 CO -0.75 0.00 0.14 0.78 -1.05 0.00 0.00 178.16 177.28 2dxb h GLY 110 N 1.87 1.03 1.24 3.88 0.00 -1.58 -0.25 103.07 109.27 2dxb h GLY 110 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.56 2dxb h GLY 110 CO 0.00 0.58 -0.37 3.21 0.00 0.00 0.00 176.54 179.96 2dxb h ARG 111 N 0.91 0.83 -0.56 4.80 3.08 -0.85 -0.29 114.38 122.30 2dxb h ARG 111 Ca 0.19 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2dxb h ARG 111 Cb 0.34 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2dxb h ARG 111 CO 0.00 1.06 0.37 -1.49 -1.07 0.00 0.00 179.97 178.84 2dxb h TRP 112 N 0.69 0.71 -0.09 3.04 4.06 -1.30 -1.46 115.95 121.59 2dxb h TRP 112 Ca 0.06 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 2dxb h TRP 112 Cb 0.93 -0.24 -0.00 0.00 -1.00 0.00 0.00 29.16 28.85 2dxb h TRP 112 CO 0.05 0.46 -0.02 1.25 -3.56 0.00 0.00 178.44 176.62 2dxb h LEU 113 N 0.76 0.18 -1.06 -4.49 5.85 -0.87 -1.66 115.31 114.02 2dxb h LEU 113 Ca 0.20 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.62 2dxb h LEU 113 Cb -0.08 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 2dxb h LEU 113 CO -0.04 0.51 0.63 -0.07 -0.34 0.00 0.00 178.44 179.12 2dxb h LEU 114 N -0.14 0.99 -0.76 2.25 3.38 -0.97 -1.83 115.31 118.23 2dxb h LEU 114 Ca 0.02 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2dxb h LEU 114 Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2dxb h LEU 114 CO 0.01 0.64 -0.61 0.74 0.09 0.00 0.00 178.44 179.31 2dxb h THR 115 N 1.13 1.44 -0.41 0.22 2.02 -1.19 -0.15 112.91 115.96 2dxb h THR 115 Ca 0.41 -2.09 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 2dxb h THR 115 Cb 0.17 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.68 2dxb h THR 115 CO -0.16 0.60 0.04 0.00 0.37 0.00 0.00 175.52 176.37 2dxb h ALA 116 N 1.37 0.55 -0.47 6.16 0.00 -0.51 -0.49 119.26 125.87 2dxb h ALA 116 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2dxb h ALA 116 Cb 1.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2dxb h ALA 116 CO 0.08 0.29 0.12 0.00 0.00 0.00 0.00 179.25 179.74 2dxb h ALA 117 N 0.92 0.62 -0.53 0.00 0.00 -1.17 -3.06 119.26 116.03 2dxb h ALA 117 Ca 0.12 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.89 2dxb h ALA 117 Cb 0.41 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2dxb h ALA 117 CO 0.01 0.30 0.24 -0.09 0.00 0.00 0.00 179.25 179.71 2dxb h ARG 118 N 0.63 0.44 -0.18 0.00 9.65 -0.63 -2.21 114.38 122.09 2dxb h ARG 118 Ca 0.15 -0.03 -0.05 0.00 -1.10 0.00 0.00 59.98 58.95 2dxb h ARG 118 Cb 0.32 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.78 2dxb h ARG 118 CO 0.00 0.29 -0.13 0.97 2.80 0.00 0.00 179.97 183.90 2dxb h ILE 119 N 0.46 1.19 -0.79 1.20 -0.00 -1.04 0.14 117.51 118.66 2dxb h ILE 119 Ca 0.24 -0.84 -0.03 0.00 -0.00 0.00 0.00 64.86 64.24 2dxb h ILE 119 Cb 0.20 1.20 -0.04 0.00 -0.00 0.00 0.00 36.82 38.19 2dxb h ILE 119 CO -0.20 0.26 0.39 -0.07 -0.00 0.00 0.00 178.15 178.53 2dxb h LEU 120 N 0.27 1.02 0.11 2.19 3.38 -1.31 -2.47 115.31 118.50 2dxb h LEU 120 Ca 0.05 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2dxb h LEU 120 Cb 0.40 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.91 2dxb h LEU 120 CO 0.02 0.86 -0.62 0.58 0.09 0.00 0.00 178.44 179.37 2dxb h VAL 121 N 1.13 1.58 -0.41 1.22 2.07 -1.17 0.11 116.25 120.78 2dxb h VAL 121 Ca 0.27 -2.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.30 2dxb h VAL 121 Cb 0.10 3.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 2dxb h VAL 121 CO -0.04 0.69 0.22 0.44 0.02 0.00 0.00 177.57 178.91 2dxb h ASP 122 N -0.53 0.49 -0.41 0.57 3.32 -0.73 -0.66 116.42 118.46 2dxb h ASP 122 Ca -0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2dxb h ASP 122 Cb 1.48 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.91 2dxb h ASP 122 CO 0.11 0.39 0.00 0.29 -1.72 0.00 0.00 179.24 178.32 2dxb n LYS 123 N -4.43 2.13 -2.75 3.56 5.02 -0.93 -4.95 118.16 115.80 2dxb n LYS 123 Ca 0.03 -1.74 -0.22 0.00 -2.02 0.00 0.00 58.31 54.37 2dxb n LYS 123 Cb 0.09 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.92 -3.51 0.18 1.97 6.02 -0.25 -4.87 117.38 117.84 2dxb n GLN 124 Ca 0.17 0.96 0.07 0.00 -0.01 0.00 0.00 57.00 58.19 2dxb n GLN 124 Cb 0.43 -5.74 0.17 0.00 1.02 0.00 0.00 30.24 26.12 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 -0.79 0.00 -3.57 1.08 0.04 -1.05 -3.45 116.94 109.22 2dxb h PHE 125 Ca -0.52 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.12 2dxb h PHE 125 Cb 1.37 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.33 2dxb h PHE 125 CO 0.54 0.28 -0.46 0.14 -0.60 0.00 0.00 178.31 178.22 2dxb s VAL 126 N -3.18 0.10 0.47 -0.55 -7.23 -0.90 -5.03 120.40 104.08 2dxb s VAL 126 Ca 0.04 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.34 2dxb s VAL 126 Cb 0.07 -0.69 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 2dxb s VAL 126 CO 0.70 -0.46 0.76 0.42 -0.31 0.00 0.00 175.10 176.21 2dxb s THR 127 N -2.01 4.82 0.42 5.32 -4.23 -1.26 -4.16 115.64 114.55 2dxb s THR 127 Ca -0.10 0.09 0.10 0.00 -1.18 0.00 0.00 61.69 60.60 2dxb s THR 127 Cb -0.04 -3.83 0.21 0.00 1.34 0.00 0.00 72.50 70.18 2dxb s THR 127 CO -0.01 -0.78 2.01 0.25 -0.54 0.00 0.00 174.62 175.55 2dxb h LEU 128 N 0.26 0.26 -0.68 4.79 5.85 -1.96 -1.61 115.31 122.21 2dxb h LEU 128 Ca -0.47 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2dxb h LEU 128 Cb 1.21 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2dxb h LEU 128 CO 0.61 0.30 0.36 0.74 -0.34 0.00 0.00 178.44 180.11 2dxb h THR 129 N 0.28 1.22 -0.53 1.05 2.02 -1.99 0.72 112.91 115.68 2dxb h THR 129 Ca 0.07 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2dxb h THR 129 Cb 0.17 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 2dxb h THR 129 CO 0.00 0.25 0.07 -0.33 0.37 0.00 0.00 175.52 175.88 2dxb h GLU 130 N 0.94 0.89 -0.18 6.66 5.08 -1.69 0.05 114.58 126.34 2dxb h GLU 130 Ca 0.24 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2dxb h GLU 130 Cb 0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2dxb h GLU 130 CO -0.04 0.88 0.06 1.25 -1.00 0.00 0.00 179.01 180.16 2dxb h LEU 131 N 0.78 0.25 -0.55 1.33 5.85 -1.08 -0.05 115.31 121.85 2dxb h LEU 131 Ca 0.16 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2dxb h LEU 131 Cb 0.43 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 2dxb h LEU 131 CO 0.01 0.37 0.36 0.45 -0.34 0.00 0.00 178.44 179.29 2dxb h HIS 132 N 0.12 0.68 -0.29 1.25 3.86 -0.74 -1.33 115.15 118.68 2dxb h HIS 132 Ca 0.06 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.20 2dxb h HIS 132 Cb 0.21 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 2dxb h HIS 132 CO -0.00 0.42 -0.18 -0.91 0.86 0.00 0.00 177.93 178.11 2dxb h ASN 133 N 0.73 0.52 -0.61 2.45 2.35 -0.82 -1.57 115.58 118.62 2dxb h ASN 133 Ca 0.20 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.73 2dxb h ASN 133 Cb -0.07 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 2dxb h ASN 133 CO -0.05 0.72 0.11 0.50 -1.65 0.00 0.00 177.43 177.06 2dxb h LYS 134 N 0.48 1.01 -0.49 0.81 1.63 -0.59 -0.29 116.57 119.12 2dxb h LYS 134 Ca 0.08 -0.26 -0.05 0.00 -0.85 0.00 0.00 60.65 59.56 2dxb h LYS 134 Cb 0.59 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2dxb h LYS 134 CO 0.04 0.94 0.11 0.82 -3.45 0.00 0.00 179.45 177.90 2dxb h ILE 135 N 0.92 1.24 -0.29 2.00 2.04 -0.94 0.10 117.51 122.59 2dxb h ILE 135 Ca 0.19 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 2dxb h ILE 135 Cb 0.41 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2dxb h ILE 135 CO 0.01 0.31 0.15 0.58 0.00 0.00 0.00 178.15 179.20 2dxb h VAL 136 N 0.68 1.14 -0.45 1.67 2.07 -1.08 -0.89 116.25 119.39 2dxb h VAL 136 Ca 0.15 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 2dxb h VAL 136 Cb 0.35 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2dxb h VAL 136 CO 0.00 0.15 0.08 -0.08 0.02 0.00 0.00 177.57 177.74 2dxb h GLU 137 N 0.34 0.69 -0.57 1.57 4.22 -0.87 -1.75 114.58 118.21 2dxb h GLU 137 Ca 0.10 -0.14 -0.10 0.00 0.08 0.00 0.00 59.36 59.30 2dxb h GLU 137 Cb 0.10 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dxb h GLU 137 CO -0.01 0.66 -0.03 1.98 -2.18 0.00 0.00 179.01 179.42 2dxb h MET 138 N 0.67 1.03 -0.43 1.92 4.05 -0.63 -1.02 114.93 120.53 2dxb h MET 138 Ca 0.15 -0.34 -0.02 0.00 -0.28 0.00 0.00 59.70 59.20 2dxb h MET 138 Cb 0.30 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 2dxb h MET 138 CO 0.00 1.04 0.20 0.00 0.23 0.00 0.00 176.91 178.38 2dxb h ARG 139 N 0.92 0.62 -0.45 0.39 3.08 -0.74 -2.31 114.38 115.89 2dxb h ARG 139 Ca 0.16 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2dxb h ARG 139 Cb 0.59 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2dxb h ARG 139 CO 0.04 0.54 -0.03 0.93 -1.07 0.00 0.00 179.97 180.38 2dxb h GLU 140 N 0.55 0.75 -0.25 0.04 5.08 -1.18 -1.67 114.58 117.89 2dxb h GLU 140 Ca 0.15 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2dxb h GLU 140 Cb 0.13 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2dxb h GLU 140 CO -0.02 0.78 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.66 2dxb h ARG 141 N 0.70 0.05 0.24 2.33 2.43 -0.80 0.15 114.38 119.48 2dxb h ARG 141 Ca 0.13 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2dxb h ARG 141 Cb 0.47 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2dxb h ARG 141 CO 0.02 0.04 -0.11 0.28 -1.51 0.00 0.00 179.97 178.68 2dxb h VAL 142 N 0.05 0.82 -0.58 0.20 2.07 -1.12 -2.90 116.25 114.79 2dxb h VAL 142 Ca 0.12 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2dxb h VAL 142 Cb 0.17 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2dxb h VAL 142 CO -0.22 0.07 0.38 0.00 0.02 0.00 0.00 177.57 177.82 2dxb h ALA 143 N 0.26 1.60 0.00 1.67 0.00 -1.09 -2.39 119.26 119.31 2dxb h ALA 143 Ca -0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2dxb h ALA 143 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2dxb h ALA 143 CO 0.05 0.37 -0.18 0.66 0.00 0.00 0.00 179.25 180.15 2dxb h SER 144 N 0.77 0.00 0.00 0.00 4.64 -0.68 -3.47 113.55 114.81 2dxb h SER 144 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2dxb h SER 144 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2dxb h SER 144 CO -0.05 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 176.71 2dxb n GLY 145 N 0.21 0.90 0.24 -0.77 0.00 -0.90 -4.97 105.19 99.89 2dxb n GLY 145 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 2dxb n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dxb n GLN 146 N -2.04 1.32 0.00 1.61 10.64 -1.11 -0.03 117.38 127.78 2dxb n GLN 146 Ca 0.00 -0.48 0.00 0.00 -1.83 0.00 0.00 57.00 54.69 2dxb n GLN 146 Cb 0.00 -1.44 0.00 0.00 -0.86 0.00 0.00 30.24 27.94 2dxb n GLN 146 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dxb n GLY 147 N 1.04 -0.07 2.49 2.61 0.00 -1.25 -4.22 105.19 105.79 2dxb n GLY 147 Ca 0.19 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.13 0.93 0.00 0.99 2.96 0.13 -4.37 118.68 117.19 2dxb s LEU 148 Ca 0.00 -1.94 0.00 0.00 -0.22 0.00 0.00 54.13 51.97 2dxb s LEU 148 Cb 0.00 -0.41 0.00 0.00 0.50 0.00 0.00 46.19 46.28 2dxb s LEU 148 CO 0.00 -0.35 0.00 0.61 -1.32 0.00 0.00 176.35 175.29 2dxb n GLY 149 N 4.37 2.64 0.50 7.98 0.00 -1.26 -0.69 105.19 118.74 2dxb n GLY 149 Ca 0.07 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 14.00 1.68 0.03 1.61 0.28 -1.26 -4.06 120.64 132.92 2dxb n GLU 150 Ca 0.00 -1.00 -0.16 0.00 -0.16 0.00 0.00 57.16 55.83 2dxb n GLU 150 Cb 0.00 -1.44 -0.14 0.00 1.43 0.00 0.00 31.44 31.29 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 2.25 0.37 -2.80 -1.84 0.05 -1.35 -3.46 116.97 110.19 2dxb h TYR 151 Ca 0.00 -0.27 -0.24 0.00 0.05 0.00 0.00 58.73 58.27 2dxb h TYR 151 Cb 0.48 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 37.88 2dxb h TYR 151 CO 0.05 1.41 -0.55 -1.17 -1.05 0.00 0.00 178.16 176.85 2dxb s LEU 152 N -6.82 -0.26 0.65 3.88 2.96 -0.73 -4.95 118.68 113.41 2dxb s LEU 152 Ca -0.12 0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 54.09 2dxb s LEU 152 Cb 0.07 0.63 -0.01 0.00 0.50 0.00 0.00 46.19 47.38 2dxb s LEU 152 CO 0.83 -0.25 1.07 -2.16 -1.32 0.00 0.00 176.35 174.51 2dxb s PRO 153 N 2.40 2.98 0.83 0.98 0.04 -1.26 0.19 135.00 141.17 2dxb s PRO 153 Ca 0.03 1.19 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 2dxb s PRO 153 Cb -0.13 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.53 2dxb s PRO 153 CO -0.09 -1.08 1.18 -2.14 0.04 0.00 0.00 177.00 174.91 2dxb s PRO 154 N -4.39 1.50 0.31 0.56 0.02 -1.26 -4.32 135.00 127.42 2dxb s PRO 154 Ca 0.63 1.65 -0.28 0.00 0.02 0.00 0.00 61.00 63.02 2dxb s PRO 154 Cb -0.17 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 2dxb s PRO 154 CO 0.44 -2.30 1.09 0.21 -0.33 0.00 0.00 177.00 176.12 2dxb s LYS 155 N -4.34 4.50 0.00 5.54 2.20 0.96 -4.89 119.74 123.71 2dxb s LYS 155 Ca 0.70 1.75 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 2dxb s LYS 155 Cb -0.26 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2dxb s LYS 155 CO 0.53 0.10 0.00 0.00 -0.36 0.00 0.00 175.35 175.62 2dxb n ALA 156 N 0.86 0.01 -1.22 3.13 0.00 -1.26 -5.00 120.51 117.03 2dxb n ALA 156 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dxb n ALA 156 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 2dxb n ALA 156 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86