#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 0.83 -0.17 -3.46 0.87 -2.05 -0.03 113.55 109.54 2dxb h SER 4 Ca 0.00 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.13 2dxb h SER 4 Cb 0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.72 2dxb h SER 4 CO 0.00 1.14 -0.07 0.40 -0.53 0.00 0.00 176.83 177.77 2dxb h ILE 5 N 0.63 1.30 -0.41 2.23 1.08 -2.05 -1.96 117.51 118.33 2dxb h ILE 5 Ca 0.05 -1.10 -0.01 0.00 -0.39 0.00 0.00 64.86 63.41 2dxb h ILE 5 Cb 0.98 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.38 2dxb h ILE 5 CO 0.09 0.33 0.20 0.03 -0.69 0.00 0.00 178.15 178.10 2dxb h ARG 6 N 0.03 0.57 -0.59 2.37 2.47 -1.97 0.16 114.38 117.42 2dxb h ARG 6 Ca 0.04 -0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 2dxb h ARG 6 Cb 0.54 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 2dxb h ARG 6 CO 0.02 0.45 -0.03 0.93 0.56 0.00 0.00 179.97 181.90 2dxb h GLU 7 N 0.58 1.07 -0.36 0.04 5.08 -0.84 -0.68 114.58 119.48 2dxb h GLU 7 Ca 0.15 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.02 2dxb h GLU 7 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2dxb h GLU 7 CO -0.02 1.06 -0.29 1.49 -1.00 0.00 0.00 179.01 180.25 2dxb h GLU 8 N 0.96 0.76 0.39 2.33 4.81 -0.47 -0.96 114.58 122.40 2dxb h GLU 8 Ca 0.16 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2dxb h GLU 8 Cb 0.60 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2dxb h GLU 8 CO 0.04 0.95 -0.19 0.28 -0.73 0.00 0.00 179.01 179.36 2dxb h VAL 9 N 0.65 0.62 -0.13 0.32 2.07 -0.38 0.35 116.25 119.76 2dxb h VAL 9 Ca 0.08 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 2dxb h VAL 9 Cb 0.81 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2dxb h VAL 9 CO 0.07 0.01 -0.21 0.45 0.02 0.00 0.00 177.57 177.91 2dxb h HIS 10 N -0.55 0.23 -0.48 1.57 3.86 -1.11 -0.64 115.15 118.03 2dxb h HIS 10 Ca -0.05 -0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.03 2dxb h HIS 10 Cb 0.42 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 2dxb h HIS 10 CO -0.04 0.42 -0.09 -0.09 0.86 0.00 0.00 177.93 178.98 2dxb h ARG 11 N 0.20 0.86 -0.27 2.45 2.43 -0.94 -2.36 114.38 116.75 2dxb h ARG 11 Ca 0.04 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2dxb h ARG 11 Cb 0.49 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2dxb h ARG 11 CO 0.03 0.92 0.02 1.25 -1.51 0.00 0.00 179.97 180.69 2dxb h HIS 12 N 0.78 0.51 0.00 2.20 2.76 -0.01 -1.21 115.15 120.18 2dxb h HIS 12 Ca 0.13 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2dxb h HIS 12 Cb 0.60 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2dxb h HIS 12 CO 0.03 0.60 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.18 2dxb h LEU 13 N 0.27 0.00 0.19 0.26 3.38 -0.99 -2.03 115.31 116.39 2dxb h LEU 13 Ca 0.08 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2dxb h LEU 13 Cb 0.38 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.16 2dxb h LEU 13 CO 0.01 0.01 -1.16 1.23 0.09 0.00 0.00 178.44 178.62 2dxb h GLY 14 N 0.05 0.51 0.95 0.83 0.00 -1.03 -3.36 103.07 101.02 2dxb h GLY 14 Ca -0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.01 2dxb h GLY 14 CO 0.00 1.11 0.04 -0.84 0.00 0.00 0.00 176.54 176.85 2dxb h THR 15 N -0.07 1.25 -0.08 4.70 2.02 -0.78 -2.96 112.91 116.99 2dxb h THR 15 Ca -0.20 -0.94 0.02 0.00 0.77 0.00 0.00 66.41 66.06 2dxb h THR 15 Cb 1.91 1.04 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2dxb h THR 15 CO 0.22 0.32 0.12 -0.37 0.37 0.00 0.00 175.52 176.18 2dxb h VAL 16 N 0.56 0.35 0.00 3.16 -1.51 -1.54 0.10 116.25 117.37 2dxb h VAL 16 Ca 0.12 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.56 2dxb h VAL 16 Cb 0.42 0.90 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2dxb h VAL 16 CO 0.01 0.00 -0.14 0.00 -1.23 0.00 0.00 177.57 176.21 2dxb h ALA 17 N 1.84 1.76 0.00 5.19 0.00 -1.67 -1.11 119.26 125.27 2dxb h ALA 17 Ca 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2dxb h ALA 17 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dxb h ALA 17 CO -0.00 0.18 -0.16 -0.07 0.00 0.00 0.00 179.25 179.19 2dxb h LEU 18 N 0.00 0.00 -2.26 0.00 3.38 -0.93 -2.80 115.31 112.69 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 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2dxb h LEU 18 CO 0.02 0.16 0.00 0.23 0.09 0.00 0.00 178.44 178.94 2dxb n MET 19 N -3.56 2.46 -1.66 1.13 2.81 -0.43 -4.95 117.12 112.92 2dxb n MET 19 Ca -0.01 -2.23 -0.49 0.00 -1.81 0.00 0.00 57.70 53.16 2dxb n MET 19 Cb 0.31 -1.51 -0.05 0.00 -0.71 0.00 0.00 33.22 31.26 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 1.37 1.95 -1.81 0.03 -0.06 -1.06 -4.90 117.38 112.91 2dxb n GLN 20 Ca 0.20 0.70 -0.37 0.00 -2.00 0.00 0.00 57.00 55.53 2dxb n GLN 20 Cb 0.56 -2.60 0.06 0.00 -4.06 0.00 0.00 30.24 24.20 2dxb n GLN 20 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2dxb s PRO 21 N 4.37 2.71 0.18 3.69 0.02 -1.26 -5.03 135.00 139.68 2dxb s PRO 21 Ca 0.96 2.03 -0.23 0.00 0.02 0.00 0.00 61.00 63.77 2dxb s PRO 21 Cb -0.73 -1.91 0.06 0.00 0.02 0.00 0.00 34.50 31.94 2dxb s PRO 21 CO 0.52 -1.47 0.72 0.00 -0.33 0.00 0.00 177.00 176.44 2dxb s ALA 22 N -1.43 -1.51 -0.52 -1.55 0.00 -1.26 -5.09 121.76 110.40 2dxb s ALA 22 Ca 0.80 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2dxb s ALA 22 Cb -0.36 0.78 0.10 0.00 0.00 0.00 0.00 23.12 23.64 2dxb s ALA 22 CO 0.39 -0.88 0.52 -0.51 0.00 0.00 0.00 175.76 175.28 2dxb s LEU 23 N -2.79 5.72 -0.50 0.00 1.43 -1.26 -5.01 118.68 116.27 2dxb s LEU 23 Ca 0.06 -1.47 -0.17 0.00 -1.03 0.00 0.00 54.13 51.52 2dxb s LEU 23 Cb -0.03 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 44.02 2dxb s LEU 23 CO -0.04 -0.84 0.51 -2.28 0.23 0.00 0.00 176.35 173.92 2dxb s HIS 24 N 1.94 3.16 -0.47 0.29 2.46 -1.26 -5.03 115.29 116.37 2dxb s HIS 24 Ca 0.06 -0.86 -0.12 0.00 0.47 0.00 0.00 55.06 54.61 2dxb s HIS 24 Cb -0.26 -3.45 0.10 0.00 -0.13 0.00 0.00 32.58 28.84 2dxb s HIS 24 CO 0.06 -0.95 0.37 -1.14 -2.47 0.00 0.00 174.74 170.61 2dxb s GLN 25 N 2.05 2.76 0.36 2.88 0.74 -1.26 -5.07 119.66 122.12 2dxb s GLN 25 Ca 0.08 -1.56 -0.27 0.00 0.05 0.00 0.00 55.36 53.67 2dxb s GLN 25 Cb -0.23 -4.02 -0.09 0.00 1.10 0.00 0.00 33.01 29.76 2dxb s GLN 25 CO 0.08 -1.11 1.19 -0.65 -0.55 0.00 0.00 175.29 174.25 2dxb s GLN 26 N 1.51 4.22 -0.18 1.67 -0.21 -1.26 -5.01 119.66 120.39 2dxb s GLN 26 Ca 0.04 1.93 -0.07 0.00 0.02 0.00 0.00 55.36 57.28 2dxb s GLN 26 Cb -0.26 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 30.86 2dxb s GLN 26 CO 0.03 -0.21 0.05 0.95 -2.12 0.00 0.00 175.29 173.99 2dxb s THR 27 N -1.30 4.68 -0.51 -0.19 -4.23 -1.26 -5.03 115.64 107.79 2dxb s THR 27 Ca 0.53 -0.07 0.07 0.00 -1.18 0.00 0.00 61.69 61.04 2dxb s THR 27 Cb -0.33 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 70.64 2dxb s THR 27 CO 0.43 0.46 0.61 1.41 -0.54 0.00 0.00 174.62 176.99 2dxb n HIS 28 N 3.57 1.53 -3.55 3.99 8.25 -1.26 -4.95 115.22 122.81 2dxb n HIS 28 Ca -0.17 -3.84 -0.22 0.00 -0.26 0.00 0.00 57.72 53.23 2dxb n HIS 28 Cb 0.52 -0.42 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 1.26 -2.60 -0.96 -1.41 0.00 -1.26 -4.93 120.51 110.60 2dxb n ALA 29 Ca 0.25 -0.18 -0.31 0.00 0.00 0.00 0.00 53.44 53.20 2dxb n ALA 29 Cb 0.47 -2.70 0.14 0.00 0.00 0.00 0.00 19.45 17.35 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 -4.96 1.46 0.60 0.00 0.04 -1.26 -5.00 135.00 125.88 2dxb s PRO 30 Ca 0.24 1.31 -0.16 0.00 0.04 0.00 0.00 61.00 62.44 2dxb s PRO 30 Cb -0.09 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2dxb s PRO 30 CO 0.84 -2.25 1.07 0.00 0.04 0.00 0.00 177.00 176.70 2dxb s ALA 31 N -2.77 2.70 0.40 8.56 0.00 -1.26 -4.91 121.76 124.47 2dxb s ALA 31 Ca 0.64 0.43 0.17 0.00 0.00 0.00 0.00 51.96 53.20 2dxb s ALA 31 Cb -0.20 -3.25 1.07 0.00 0.00 0.00 0.00 23.12 20.74 2dxb s ALA 31 CO 0.57 -0.88 1.80 -1.35 0.00 0.00 0.00 175.76 175.90 2dxb h PRO 32 N 0.39 0.42 0.00 0.00 0.11 -1.96 0.19 132.00 131.16 2dxb h PRO 32 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2dxb h PRO 32 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2dxb h PRO 32 CO 0.57 0.28 0.00 0.25 -0.21 0.00 0.00 178.00 178.88 2dxb n THR 33 N -4.59 0.79 1.02 -1.15 -2.24 -1.26 -1.41 114.28 105.45 2dxb n THR 33 Ca 0.23 0.20 0.12 0.00 -2.27 0.00 0.00 64.05 62.33 2dxb n THR 33 Cb 0.79 -0.99 0.08 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.33 1.89 -3.54 -0.78 -0.58 0.68 -4.85 120.64 112.13 2dxb n GLU 34 Ca 0.05 -1.55 -0.41 0.00 -0.42 0.00 0.00 57.16 54.83 2dxb n GLU 34 Cb 0.11 -1.47 -0.11 0.00 -0.57 0.00 0.00 31.44 29.40 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 -2.18 4.91 0.73 -3.67 -1.09 -0.50 -5.01 121.20 114.39 2dxb s ILE 35 Ca 0.25 -0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 57.90 2dxb s ILE 35 Cb 0.19 -3.70 0.07 0.00 -1.58 0.00 0.00 42.46 37.44 2dxb s ILE 35 CO 0.40 -0.22 1.05 0.42 -1.23 0.00 0.00 174.94 175.35 2dxb s THR 36 N 1.62 2.22 0.22 2.92 -4.23 -1.26 -4.85 115.64 112.28 2dxb s THR 36 Ca 0.04 -0.23 -0.09 0.00 -1.18 0.00 0.00 61.69 60.23 2dxb s THR 36 Cb -0.19 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 70.84 2dxb s THR 36 CO 0.08 0.00 1.87 -0.74 -0.54 0.00 0.00 174.62 175.29 2dxb h HIS 37 N -0.69 1.08 -0.21 3.99 2.76 -1.98 0.10 115.15 120.20 2dxb h HIS 37 Ca -0.45 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 57.76 2dxb h HIS 37 Cb 1.32 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 2dxb h HIS 37 CO 0.30 0.71 -0.00 1.15 -1.30 0.00 0.00 177.93 178.79 2dxb h THR 38 N 1.13 0.85 -0.34 6.26 2.02 -1.99 0.18 112.91 121.01 2dxb h THR 38 Ca 0.30 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.36 2dxb h THR 38 Cb -0.06 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2dxb h THR 38 CO -0.06 0.01 -0.19 -0.07 0.37 0.00 0.00 175.52 175.58 2dxb h LEU 39 N 0.07 0.65 -0.40 2.58 3.38 -1.84 -1.20 115.31 118.54 2dxb h LEU 39 Ca 0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2dxb h LEU 39 Cb 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2dxb h LEU 39 CO -0.17 0.84 0.23 0.15 0.09 0.00 0.00 178.44 179.58 2dxb h PHE 40 N 0.58 0.53 -0.64 1.13 3.57 -0.06 0.95 116.94 122.99 2dxb h PHE 40 Ca 0.09 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 2dxb h PHE 40 Cb 0.65 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 2dxb h PHE 40 CO 0.03 0.39 0.14 -0.09 -2.23 0.00 0.00 178.31 176.54 2dxb h ARG 41 N 0.52 1.02 -0.41 1.11 2.43 -0.44 -1.92 114.38 116.68 2dxb h ARG 41 Ca 0.14 -0.24 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2dxb h ARG 41 Cb 0.02 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 2dxb h ARG 41 CO -0.03 0.92 -0.03 0.00 -1.51 0.00 0.00 179.97 179.32 2dxb h ALA 42 N 1.17 0.56 -0.18 2.80 0.00 -0.67 -2.61 119.26 120.33 2dxb h ALA 42 Ca 0.20 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2dxb h ALA 42 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2dxb h ALA 42 CO 0.00 0.37 -0.50 1.88 0.00 0.00 0.00 179.25 181.01 2dxb h TYR 43 N 0.58 0.61 -0.34 0.00 0.05 -0.72 -3.21 116.97 113.93 2dxb h TYR 43 Ca 0.11 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.69 2dxb h TYR 43 Cb 0.53 -0.12 0.00 0.00 1.01 0.00 0.00 36.73 38.15 2dxb h TYR 43 CO 0.04 0.90 0.00 0.25 -1.05 0.00 0.00 178.16 178.30 2dxb n THR 44 N -3.98 0.45 -0.86 -2.88 -2.24 -0.73 -4.95 114.28 99.09 2dxb n THR 44 Ca -0.02 -0.51 -0.29 0.00 -2.27 0.00 0.00 64.05 60.95 2dxb n THR 44 Cb 0.57 0.36 0.20 0.00 -2.10 0.00 0.00 70.33 69.35 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 -1.55 0.18 -0.27 -0.78 1.70 -0.99 -4.98 118.95 112.25 2dxb s ARG 45 Ca 0.30 0.88 -0.16 0.00 -0.47 0.00 0.00 55.73 56.28 2dxb s ARG 45 Cb 0.16 -1.68 -0.03 0.00 -0.57 0.00 0.00 34.95 32.83 2dxb s ARG 45 CO 0.22 -3.00 0.43 0.14 -1.08 0.00 0.00 175.30 172.01 2dxb s VAL 46 N -2.71 5.13 0.46 4.99 -7.23 -1.26 -4.97 120.40 114.81 2dxb s VAL 46 Ca 0.66 0.65 0.27 0.00 -1.81 0.00 0.00 61.98 61.75 2dxb s VAL 46 Cb -0.22 -3.76 0.47 0.00 0.56 0.00 0.00 36.38 33.43 2dxb s VAL 46 CO 0.60 0.11 1.76 -0.65 -0.31 0.00 0.00 175.10 176.61 2dxb h PRO 47 N 8.14 0.20 0.00 4.82 0.11 -1.82 -2.24 132.00 141.21 2dxb h PRO 47 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2dxb h PRO 47 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2dxb h PRO 47 CO 0.68 0.13 0.00 -2.39 -0.21 0.00 0.00 178.00 176.21 2dxb n HIS 48 N -4.46 0.00 -2.63 0.65 1.44 -1.15 -4.41 115.22 104.65 2dxb n HIS 48 Ca 0.27 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.55 2dxb n HIS 48 Cb 1.11 -0.47 0.00 0.00 0.12 0.00 0.00 29.99 30.76 2dxb n HIS 48 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 2dxb n ASP 49 N -1.47 5.03 -0.46 4.39 2.03 -0.85 -4.71 116.55 120.52 2dxb n ASP 49 Ca 0.05 -2.99 0.09 0.00 0.52 0.00 0.00 54.79 52.46 2dxb n ASP 49 Cb 0.21 -1.59 0.01 0.00 -0.72 0.00 0.00 41.12 39.02 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 4.65 0.00 -1.68 5.18 0.24 -1.26 -5.00 118.33 120.46 2dxb n VAL 50 Ca 0.41 -0.33 -0.46 0.00 -2.04 0.00 0.00 64.34 61.92 2dxb n VAL 50 Cb 0.41 1.24 -0.04 0.00 -1.47 0.00 0.00 33.84 33.98 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 1.24 1.39 0.15 7.63 0.00 -1.26 -1.97 105.19 112.37 2dxb n GLY 51 Ca 0.08 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 3.99 1.02 3.77 -0.02 0.00 -1.26 -5.06 105.19 107.63 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 -0.95 4.29 0.36 1.61 2.02 -0.83 -4.97 118.70 120.21 2dxb s GLU 53 Ca 0.00 1.92 -0.28 0.00 0.02 0.00 0.00 54.97 56.64 2dxb s GLU 53 Cb 0.00 -2.91 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 2dxb s GLU 53 CO 0.00 -0.14 1.26 0.00 0.02 0.00 0.00 175.26 176.40 2dxb s ALA 54 N -1.28 3.37 0.21 5.21 0.00 -1.26 -5.02 121.76 122.98 2dxb s ALA 54 Ca 0.52 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.51 2dxb s ALA 54 Cb -0.33 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.35 2dxb s ALA 54 CO 0.43 -0.62 0.46 0.34 0.00 0.00 0.00 175.76 176.37 2dxb s ASP 55 N -0.69 -0.14 0.48 0.00 -1.08 -1.26 -5.18 116.67 108.80 2dxb s ASP 55 Ca 0.52 -0.71 0.02 0.00 -0.52 0.00 0.00 52.55 51.85 2dxb s ASP 55 Cb -0.37 0.55 0.01 0.00 -1.46 0.00 0.00 42.92 41.65 2dxb s ASP 55 CO 0.48 -1.05 0.68 0.68 0.52 0.00 0.00 175.17 176.49 2dxb s VAL 56 N -3.94 3.43 0.14 1.11 -7.23 -1.26 -5.06 120.40 107.58 2dxb s VAL 56 Ca 0.15 -0.64 -0.30 0.00 -1.81 0.00 0.00 61.98 59.38 2dxb s VAL 56 Cb -0.00 -3.26 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 2dxb s VAL 56 CO 0.02 -0.17 0.98 -2.84 -0.31 0.00 0.00 175.10 172.78 2dxb s PRO 57 N -4.58 4.71 0.09 4.82 0.02 -1.26 -5.04 135.00 133.76 2dxb s PRO 57 Ca 0.52 1.49 0.05 0.00 0.02 0.00 0.00 61.00 63.08 2dxb s PRO 57 Cb -0.10 -3.35 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 2dxb s PRO 57 CO 0.37 0.24 -0.13 0.96 -0.33 0.00 0.00 177.00 178.11 2dxb s ILE 58 N -0.21 1.15 -0.65 2.83 -4.36 -1.26 -5.08 121.20 113.62 2dxb s ILE 58 Ca 0.46 -1.50 -0.27 0.00 -0.26 0.00 0.00 60.65 59.08 2dxb s ILE 58 Cb -0.24 -1.27 0.03 0.00 1.25 0.00 0.00 42.46 42.23 2dxb s ILE 58 CO 0.31 -0.35 1.19 -0.70 0.24 0.00 0.00 174.94 175.63 2dxb s GLU 59 N -2.24 3.34 0.49 0.37 2.12 -1.26 -4.98 118.70 116.54 2dxb s GLU 59 Ca 0.03 -0.07 -0.24 0.00 0.36 0.00 0.00 54.97 55.05 2dxb s GLU 59 Cb -0.07 -4.10 -0.07 0.00 0.26 0.00 0.00 34.13 30.15 2dxb s GLU 59 CO 0.02 -1.87 1.40 0.66 -0.54 0.00 0.00 175.26 174.94 2dxb n TYR 60 N 8.69 2.54 -4.20 5.30 4.01 -1.26 -5.02 117.16 127.22 2dxb n TYR 60 Ca 0.05 0.44 -0.12 0.00 -0.16 0.00 0.00 57.90 58.10 2dxb n TYR 60 Cb 0.49 -2.42 -0.10 0.00 -0.31 0.00 0.00 39.34 36.99 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 -1.23 1.05 0.54 -0.72 -3.43 -1.26 -5.15 115.29 105.09 2dxb s HIS 61 Ca 0.65 -0.93 0.02 0.00 -0.80 0.00 0.00 55.06 54.00 2dxb s HIS 61 Cb -0.44 -0.59 0.03 0.00 -1.43 0.00 0.00 32.58 30.15 2dxb s HIS 61 CO 0.54 -0.14 0.76 -1.21 -2.00 0.00 0.00 174.74 172.70 2dxb s GLU 62 N -3.85 2.57 -0.12 -0.38 0.41 -1.26 -5.12 118.70 110.95 2dxb s GLU 62 Ca 0.16 -0.80 -0.08 0.00 -0.41 0.00 0.00 54.97 53.84 2dxb s GLU 62 Cb 0.05 -2.50 0.04 0.00 -1.78 0.00 0.00 34.13 29.94 2dxb s GLU 62 CO -0.01 -0.68 0.29 0.21 -0.49 0.00 0.00 175.26 174.58 2dxb s LYS 63 N -4.74 0.30 0.51 1.61 2.20 -1.26 -5.14 119.74 113.22 2dxb s LYS 63 Ca 0.57 0.52 -0.22 0.00 -0.36 0.00 0.00 55.97 56.48 2dxb s LYS 63 Cb -0.10 0.02 -0.06 0.00 -1.51 0.00 0.00 37.83 36.18 2dxb s LYS 63 CO 0.38 -0.11 1.26 -1.21 -0.36 0.00 0.00 175.35 175.31 2dxb s GLU 64 N 0.79 3.42 0.05 4.03 2.02 -1.26 -4.97 118.70 122.79 2dxb s GLU 64 Ca -0.05 1.99 -0.27 0.00 0.02 0.00 0.00 54.97 56.66 2dxb s GLU 64 Cb -0.06 -2.31 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 2dxb s GLU 64 CO -0.05 -0.89 0.83 -2.00 0.02 0.00 0.00 175.26 173.17 2dxb s GLU 65 N -2.84 4.55 0.50 1.61 2.12 -1.26 -5.04 118.70 118.35 2dxb s GLU 65 Ca 0.68 1.18 -0.18 0.00 0.36 0.00 0.00 54.97 57.02 2dxb s GLU 65 Cb -0.34 -3.38 -0.08 0.00 0.26 0.00 0.00 34.13 30.59 2dxb s GLU 65 CO 0.40 0.23 0.99 -1.21 -0.54 0.00 0.00 175.26 175.14 2dxb s GLU 66 N 0.06 3.92 0.28 4.30 0.41 -1.26 -4.95 118.70 121.47 2dxb s GLU 66 Ca 0.42 1.06 -0.02 0.00 -0.41 0.00 0.00 54.97 56.01 2dxb s GLU 66 Cb -0.21 -2.13 0.40 0.00 -1.78 0.00 0.00 34.13 30.41 2dxb s GLU 66 CO 0.25 -0.30 1.89 0.82 -0.49 0.00 0.00 175.26 177.43 2dxb h ILE 67 N 1.14 1.22 0.00 -1.63 2.04 -2.00 -1.94 117.51 116.33 2dxb h ILE 67 Ca -0.48 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 2dxb h ILE 67 Cb 1.19 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2dxb h ILE 67 CO 0.61 0.26 -0.36 4.11 0.00 0.00 0.00 178.15 182.77 2dxb h TRP 68 N 0.97 0.00 -0.16 1.37 5.08 -1.99 -2.21 115.95 119.01 2dxb h TRP 68 Ca 0.24 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 60.13 2dxb h TRP 68 Cb 0.10 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.26 2dxb h TRP 68 CO 0.01 0.36 -0.20 0.93 -1.28 0.00 0.00 178.44 178.25 2dxb h GLU 69 N 0.00 0.42 -0.72 0.12 5.08 -1.75 -0.07 114.58 117.67 2dxb h GLU 69 Ca -0.00 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 2dxb h GLU 69 Cb 0.83 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 2dxb h GLU 69 CO 0.05 0.82 0.44 1.25 -1.00 0.00 0.00 179.01 180.56 2dxb h LEU 70 N 0.06 0.86 -0.85 1.33 5.85 -1.30 0.12 115.31 121.37 2dxb h LEU 70 Ca 0.02 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2dxb h LEU 70 Cb 0.76 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2dxb h LEU 70 CO 0.05 0.66 0.05 0.78 -0.34 0.00 0.00 178.44 179.65 2dxb h ASN 71 N 0.98 0.87 -0.21 1.25 2.35 -1.31 -1.71 115.58 117.79 2dxb h ASN 71 Ca 0.26 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2dxb h ASN 71 Cb -0.04 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2dxb h ASN 71 CO -0.05 0.90 0.02 0.74 -1.65 0.00 0.00 177.43 177.39 2dxb h THR 72 N 0.85 1.24 -0.32 2.81 2.02 -0.47 -0.52 112.91 118.52 2dxb h THR 72 Ca 0.17 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.60 2dxb h THR 72 Cb 0.43 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 2dxb h THR 72 CO 0.01 0.25 0.08 0.15 0.37 0.00 0.00 175.52 176.38 2dxb h PHE 73 N 0.15 0.14 -0.78 3.16 3.57 -0.79 -0.82 116.94 121.56 2dxb h PHE 73 Ca 0.06 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2dxb h PHE 73 Cb 0.35 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2dxb h PHE 73 CO 0.03 0.04 0.36 0.00 -2.23 0.00 0.00 178.31 176.51 2dxb h ALA 74 N 1.22 1.18 -0.35 2.41 0.00 -1.20 -1.70 119.26 120.82 2dxb h ALA 74 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2dxb h ALA 74 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2dxb h ALA 74 CO -0.18 0.62 0.18 1.15 0.00 0.00 0.00 179.25 181.02 2dxb h THR 75 N 1.11 1.16 -0.60 0.00 2.02 -0.42 -0.21 112.91 115.97 2dxb h THR 75 Ca 0.27 -0.43 -0.07 0.00 0.77 0.00 0.00 66.41 66.95 2dxb h THR 75 Cb 0.12 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2dxb h THR 75 CO -0.03 0.16 0.10 0.00 0.37 0.00 0.00 175.52 176.12 2dxb h GLU 77 N 0.91 0.50 -0.36 0.00 4.39 -1.17 -2.71 114.58 116.15 2dxb h GLU 77 Ca 0.19 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 2dxb h GLU 77 Cb 0.39 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2dxb h GLU 77 CO 0.01 0.96 -0.34 0.00 -1.16 0.00 0.00 179.01 178.48 2dxb h LEU 79 N 0.68 0.62 0.01 0.00 3.38 -0.99 0.12 115.31 119.12 2dxb h LEU 79 Ca 0.07 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 2dxb h LEU 79 Cb 0.89 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2dxb h LEU 79 CO 0.08 0.58 -0.69 0.00 0.09 0.00 0.00 178.44 178.50 2dxb h ALA 80 N 1.51 0.07 -0.76 1.53 0.00 -1.21 0.17 119.26 120.59 2dxb h ALA 80 Ca 0.16 -0.60 0.10 0.00 0.00 0.00 0.00 54.91 54.57 2dxb h ALA 80 Cb 0.17 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2dxb h ALA 80 CO -0.01 0.41 0.39 2.35 0.00 0.00 0.00 179.25 182.38 2dxb h TRP 81 N -0.04 0.70 -0.28 0.00 7.01 -0.22 -1.24 115.95 121.88 2dxb h TRP 81 Ca -0.09 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.94 2dxb h TRP 81 Cb 1.40 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 2dxb h TRP 81 CO 0.14 0.24 0.00 0.54 -2.79 0.00 0.00 178.44 176.57 2dxb n ARG 82 N -4.84 2.47 -1.12 2.65 5.12 -0.01 -4.92 116.66 116.00 2dxb n ARG 82 Ca 0.13 -1.36 -0.04 0.00 -1.93 0.00 0.00 57.85 54.64 2dxb n ARG 82 Cb 0.30 -1.67 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 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 0.51 0.70 0.15 -0.13 0.00 -0.47 -4.90 105.19 101.06 2dxb n GLY 83 Ca 0.12 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.66 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 1.29 -2.14 1.61 2.07 -0.87 -3.47 116.25 114.75 2dxb h VAL 84 Ca -0.09 -1.90 0.20 0.00 0.82 0.00 0.00 66.70 65.73 2dxb h VAL 84 Cb 0.39 2.05 -0.10 0.00 -1.52 0.00 0.00 31.29 32.10 2dxb h VAL 84 CO 0.13 0.53 0.56 -1.66 0.02 0.00 0.00 177.57 177.14 2dxb s TRP 85 N -3.67 -0.15 0.33 1.57 -2.14 -1.22 -5.01 118.94 108.66 2dxb s TRP 85 Ca -0.01 -0.08 0.07 0.00 2.66 0.00 0.00 56.10 58.73 2dxb s TRP 85 Cb 0.12 0.60 -0.02 0.00 -3.10 0.00 0.00 33.47 31.08 2dxb s TRP 85 CO 0.74 -0.66 0.40 0.95 -2.66 0.00 0.00 176.95 175.72 2dxb s THR 86 N -3.07 3.97 0.36 0.66 -4.23 -1.26 -4.03 115.64 108.03 2dxb s THR 86 Ca 0.11 -1.12 0.06 0.00 -1.18 0.00 0.00 61.69 59.56 2dxb s THR 86 Cb -0.00 -3.36 0.17 0.00 1.34 0.00 0.00 72.50 70.64 2dxb s THR 86 CO -0.01 -0.17 1.90 0.00 -0.54 0.00 0.00 174.62 175.80 2dxb h ALA 87 N 1.03 1.43 -0.53 3.99 0.00 -1.96 -2.52 119.26 120.71 2dxb h ALA 87 Ca -0.46 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2dxb h ALA 87 Cb 1.25 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2dxb h ALA 87 CO 0.55 0.40 0.07 0.93 0.00 0.00 0.00 179.25 181.20 2dxb h GLU 88 N 0.43 0.85 -0.48 0.00 4.39 -1.99 0.26 114.58 118.03 2dxb h GLU 88 Ca 0.09 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.49 2dxb h GLU 88 Cb 0.31 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2dxb h GLU 88 CO 0.01 0.80 -0.10 0.93 -1.16 0.00 0.00 179.01 179.49 2dxb h GLU 89 N 0.80 0.86 0.05 2.33 5.08 -1.87 -2.15 114.58 119.69 2dxb h GLU 89 Ca 0.17 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2dxb h GLU 89 Cb 0.38 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2dxb h GLU 89 CO 0.01 0.92 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.83 2dxb h ARG 90 N 0.78 -0.07 -0.43 2.33 2.43 -0.98 -2.07 114.38 116.36 2dxb h ARG 90 Ca 0.13 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.37 2dxb h ARG 90 Cb 0.60 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 2dxb h ARG 90 CO 0.04 0.03 0.11 0.00 -1.51 0.00 0.00 179.97 178.64 2dxb h ARG 91 N -0.15 0.25 -0.87 0.20 3.08 -0.80 0.42 114.38 116.52 2dxb h ARG 91 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.04 2dxb h ARG 91 Cb 0.13 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 2dxb h ARG 91 CO 0.01 0.17 0.58 -0.09 -1.07 0.00 0.00 179.97 179.56 2dxb h ARG 92 N 0.26 1.13 -0.04 0.04 1.12 -1.30 0.52 114.38 116.12 2dxb h ARG 92 Ca 0.21 -0.07 -0.24 0.00 -1.11 0.00 0.00 59.98 58.77 2dxb h ARG 92 Cb 0.24 -0.26 0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2dxb h ARG 92 CO -0.25 0.75 -0.92 0.87 -3.11 0.00 0.00 179.97 177.31 2dxb h LYS 93 N 1.17 0.69 0.25 0.20 1.57 -0.81 -0.35 116.57 119.29 2dxb h LYS 93 Ca 0.32 -0.69 -0.34 0.00 -1.87 0.00 0.00 60.65 58.07 2dxb h LYS 93 Cb -0.12 0.18 0.04 0.00 0.08 0.00 0.00 32.23 32.41 2dxb h LYS 93 CO -0.08 1.28 -1.51 0.37 -0.57 0.00 0.00 179.45 178.95 2dxb h GLN 94 N 0.37 0.52 -0.01 3.15 4.15 0.01 -3.10 115.11 120.20 2dxb h GLN 94 Ca -0.10 -0.89 0.00 0.00 0.77 0.00 0.00 58.65 58.43 2dxb h GLN 94 Cb 1.57 0.33 0.00 0.00 0.21 0.00 0.00 27.48 29.60 2dxb h GLN 94 CO 0.18 1.43 -0.37 0.09 -1.93 0.00 0.00 178.83 178.23 2dxb n ASN 95 N -3.70 1.88 0.06 -0.69 3.02 0.18 -4.56 115.26 111.46 2dxb n ASN 95 Ca -0.17 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 52.93 2dxb n ASN 95 Cb 1.10 0.44 0.00 0.00 -0.61 0.00 0.00 39.78 40.71 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 0.48 0.00 5.19 -1.08 -2.13 116.42 118.88 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 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2dxb h ASP 97 CO 0.00 0.00 0.00 -0.37 -3.12 0.00 0.00 179.24 175.75 2dxb h VAL 98 N 0.00 0.00 0.00 -1.35 -1.51 -1.78 -3.49 116.25 108.12 2dxb h VAL 98 Ca 0.09 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2dxb h VAL 98 Cb 0.47 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 30.54 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 -0.50 -1.77 0.25 5.19 0.00 -0.80 -4.32 105.19 103.25 2dxb n GLY 99 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 0.11 1.61 5.75 -1.94 -0.42 115.11 120.23 2dxb h GLN 100 Ca 0.00 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2dxb h GLN 100 Cb 0.00 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2dxb h GLN 100 CO 0.00 0.00 -0.05 1.15 -2.65 0.00 0.00 178.83 177.28 2dxb h THR 101 N 0.00 0.93 -0.09 2.39 2.02 -2.00 -2.86 112.91 113.30 2dxb h THR 101 Ca 0.32 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 2dxb h THR 101 Cb 0.49 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2dxb h THR 101 CO -0.68 0.04 -0.53 0.58 0.37 0.00 0.00 175.52 175.29 2dxb h VAL 102 N -0.22 1.36 -0.95 3.16 2.07 -1.73 0.05 116.25 119.99 2dxb h VAL 102 Ca -0.02 -1.82 0.12 0.00 0.82 0.00 0.00 66.70 65.81 2dxb h VAL 102 Cb 0.18 1.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 2dxb h VAL 102 CO 0.03 0.54 0.61 0.22 0.02 0.00 0.00 177.57 178.98 2dxb h TYR 103 N 0.19 1.02 0.00 1.57 3.20 -0.86 -1.89 116.97 120.21 2dxb h TYR 103 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2dxb h TYR 103 Cb 1.01 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2dxb h TYR 103 CO 0.02 0.41 -0.77 1.28 -1.64 0.00 0.00 178.16 177.46 2dxb n LEU 104 N -4.59 0.33 0.01 2.82 4.77 -1.10 -4.60 117.00 114.65 2dxb n LEU 104 Ca 0.18 -0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.72 2dxb n LEU 104 Cb 0.38 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.33 2dxb n LEU 104 CO 0.29 0.08 -0.29 1.23 -1.33 0.00 0.00 177.39 177.37 2dxb h GLY 105 N 2.21 0.02 -2.88 -0.72 0.00 -0.83 -3.47 103.07 97.41 2dxb h GLY 105 Ca 0.00 -0.06 -0.45 0.00 0.00 0.00 0.00 47.33 46.82 2dxb h GLY 105 CO 0.00 0.05 -0.34 1.06 0.00 0.00 0.00 176.54 177.31 2dxb s MET 106 N -2.64 3.25 0.57 4.80 -1.94 -0.72 -5.04 119.30 117.57 2dxb s MET 106 Ca -0.03 -0.83 -0.18 0.00 -1.71 0.00 0.00 55.69 52.94 2dxb s MET 106 Cb 0.09 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 34.07 2dxb s MET 106 CO 0.82 0.17 1.08 -2.14 -0.01 0.00 0.00 175.02 174.95 2dxb s PRO 107 N -4.15 3.34 0.10 2.03 0.02 -1.26 -4.90 135.00 130.18 2dxb s PRO 107 Ca 0.41 1.40 -0.23 0.00 0.02 0.00 0.00 61.00 62.60 2dxb s PRO 107 Cb -0.09 -2.02 -0.07 0.00 0.02 0.00 0.00 34.50 32.34 2dxb s PRO 107 CO 0.31 -0.82 1.38 -0.92 -0.33 0.00 0.00 177.00 176.63 2dxb h TYR 108 N 0.85 -1.25 0.00 6.54 3.20 -1.97 0.67 116.97 125.02 2dxb h TYR 108 Ca -0.48 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2dxb h TYR 108 Cb 1.24 0.60 0.00 0.00 1.54 0.00 0.00 36.73 40.11 2dxb h TYR 108 CO 0.55 -0.31 0.00 1.88 -1.64 0.00 0.00 178.16 178.64 2dxb h TYR 109 N -0.18 0.00 -0.36 -3.82 0.99 -1.99 -2.31 116.97 109.30 2dxb h TYR 109 Ca 0.07 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.72 2dxb h TYR 109 Cb 0.37 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.08 2dxb h TYR 109 CO -0.81 0.00 -0.11 0.78 -0.00 0.00 0.00 178.16 178.02 2dxb h GLY 110 N 2.10 0.68 1.28 3.88 0.00 -1.26 -1.24 103.07 108.52 2dxb h GLY 110 Ca 0.00 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.64 2dxb h GLY 110 CO 0.00 0.45 -0.70 3.21 0.00 0.00 0.00 176.54 179.51 2dxb h ARG 111 N 0.58 0.72 -0.39 4.80 3.08 -0.79 -1.37 114.38 121.00 2dxb h ARG 111 Ca 0.10 -0.54 0.02 0.00 0.07 0.00 0.00 59.98 59.63 2dxb h ARG 111 Cb 0.54 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 2dxb h ARG 111 CO 0.03 1.16 0.22 -1.49 -1.07 0.00 0.00 179.97 178.82 2dxb h TRP 112 N 0.51 0.41 -0.01 3.04 4.06 -1.34 -1.41 115.95 121.21 2dxb h TRP 112 Ca -0.03 0.01 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2dxb h TRP 112 Cb 1.30 -0.13 -0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2dxb h TRP 112 CO 0.07 0.23 0.00 1.25 -3.56 0.00 0.00 178.44 176.43 2dxb h LEU 113 N 0.44 0.01 -1.14 -4.49 5.85 -1.17 -1.30 115.31 113.51 2dxb h LEU 113 Ca 0.16 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2dxb h LEU 113 Cb 0.03 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 2dxb h LEU 113 CO -0.09 0.23 0.59 -0.07 -0.34 0.00 0.00 178.44 178.77 2dxb h LEU 114 N -0.21 0.89 -0.58 2.25 3.38 -1.16 -1.92 115.31 117.96 2dxb h LEU 114 Ca 0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2dxb h LEU 114 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2dxb h LEU 114 CO 0.00 0.55 -0.70 0.74 0.09 0.00 0.00 178.44 179.12 2dxb h THR 115 N 1.00 1.48 -0.61 0.22 2.02 -1.10 -0.24 112.91 115.68 2dxb h THR 115 Ca 0.41 -2.34 -0.08 0.00 0.77 0.00 0.00 66.41 65.17 2dxb h THR 115 Cb 0.28 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 2dxb h THR 115 CO -0.17 0.67 0.04 0.00 0.37 0.00 0.00 175.52 176.44 2dxb h ALA 116 N 1.24 0.93 -0.35 6.16 0.00 -0.51 -0.17 119.26 126.56 2dxb h ALA 116 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 2dxb h ALA 116 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2dxb h ALA 116 CO 0.10 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.71 2dxb h ALA 117 N 1.08 0.83 -0.43 0.00 0.00 -1.14 -3.08 119.26 116.51 2dxb h ALA 117 Ca 0.18 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 2dxb h ALA 117 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2dxb h ALA 117 CO 0.02 0.64 0.17 -0.09 0.00 0.00 0.00 179.25 179.99 2dxb h ARG 118 N 0.63 0.65 -0.38 0.00 9.65 -0.36 -2.89 114.38 121.68 2dxb h ARG 118 Ca 0.08 -0.12 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 2dxb h ARG 118 Cb 0.81 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.26 2dxb h ARG 118 CO 0.07 0.60 0.03 0.97 2.80 0.00 0.00 179.97 184.44 2dxb h ILE 119 N 0.56 1.20 -0.69 1.20 6.09 -1.01 0.26 117.51 125.11 2dxb h ILE 119 Ca 0.14 -0.77 -0.05 0.00 -1.37 0.00 0.00 64.86 62.81 2dxb h ILE 119 Cb 0.20 0.88 -0.03 0.00 0.47 0.00 0.00 36.82 38.33 2dxb h ILE 119 CO -0.01 0.27 0.24 -0.07 -3.07 0.00 0.00 178.15 175.51 2dxb h LEU 120 N 0.56 0.97 0.10 2.19 3.38 -1.44 -2.07 115.31 118.99 2dxb h LEU 120 Ca 0.12 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2dxb h LEU 120 Cb 0.31 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.83 2dxb h LEU 120 CO 0.01 0.89 -0.63 0.58 0.09 0.00 0.00 178.44 179.37 2dxb h VAL 121 N 1.02 1.56 -0.22 1.22 2.07 -1.21 -0.39 116.25 120.29 2dxb h VAL 121 Ca 0.23 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.28 2dxb h VAL 121 Cb 0.25 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 2dxb h VAL 121 CO -0.01 0.68 0.01 0.44 0.02 0.00 0.00 177.57 178.71 2dxb h ASP 122 N -0.46 0.29 -0.55 0.57 3.32 -0.47 -1.78 116.42 117.33 2dxb h ASP 122 Ca -0.11 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.91 2dxb h ASP 122 Cb 1.47 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.95 2dxb h ASP 122 CO 0.12 0.34 0.00 0.29 -1.72 0.00 0.00 179.24 178.26 2dxb n LYS 123 N -4.37 4.02 -2.81 3.56 5.02 -0.78 -4.95 118.16 117.85 2dxb n LYS 123 Ca 0.00 -2.72 -0.18 0.00 -2.02 0.00 0.00 58.31 53.40 2dxb n LYS 123 Cb 0.18 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 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 0.78 -2.96 0.21 1.97 6.02 -0.67 -4.84 117.38 117.89 2dxb n GLN 124 Ca 0.24 0.64 0.11 0.00 -0.01 0.00 0.00 57.00 57.98 2dxb n GLN 124 Cb 0.97 -5.32 0.19 0.00 1.02 0.00 0.00 30.24 27.10 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 -0.51 0.00 -2.98 1.08 0.04 -1.33 -3.44 116.94 109.80 2dxb h PHE 125 Ca -0.39 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.25 2dxb h PHE 125 Cb 1.27 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 39.19 2dxb h PHE 125 CO 0.65 0.07 -0.31 0.14 -0.60 0.00 0.00 178.31 178.26 2dxb s VAL 126 N -3.21 0.02 0.61 -0.55 -7.23 -0.90 -5.03 120.40 104.11 2dxb s VAL 126 Ca 0.06 -0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 59.94 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 0.67 -0.10 1.03 0.42 -0.31 0.00 0.00 175.10 176.81 2dxb s THR 127 N -0.37 4.67 0.44 5.32 -4.23 -1.26 -4.15 115.64 116.06 2dxb s THR 127 Ca -0.05 0.91 0.12 0.00 -1.18 0.00 0.00 61.69 61.49 2dxb s THR 127 Cb -0.03 -3.84 0.20 0.00 1.34 0.00 0.00 72.50 70.17 2dxb s THR 127 CO 0.02 -1.10 2.01 0.25 -0.54 0.00 0.00 174.62 175.26 2dxb h LEU 128 N -0.21 0.13 -0.34 4.79 5.85 -1.96 -2.03 115.31 121.53 2dxb h LEU 128 Ca -0.44 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 2dxb h LEU 128 Cb 1.19 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2dxb h LEU 128 CO 0.62 0.23 0.19 0.74 -0.34 0.00 0.00 178.44 179.88 2dxb h THR 129 N 0.14 1.13 -0.95 1.05 2.02 -1.99 0.58 112.91 114.89 2dxb h THR 129 Ca 0.03 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 2dxb h THR 129 Cb 0.22 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 2dxb h THR 129 CO 0.01 0.13 0.58 -0.33 0.37 0.00 0.00 175.52 176.29 2dxb h GLU 130 N 0.43 1.29 -0.21 6.66 5.08 -1.75 0.14 114.58 126.22 2dxb h GLU 130 Ca 0.12 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 2dxb h GLU 130 Cb 0.04 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2dxb h GLU 130 CO -0.02 0.89 -0.01 1.25 -1.00 0.00 0.00 179.01 180.12 2dxb h LEU 131 N 1.31 0.38 -0.59 1.33 5.85 -0.99 0.73 115.31 123.32 2dxb h LEU 131 Ca 0.34 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2dxb h LEU 131 Cb -0.07 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2dxb h LEU 131 CO -0.07 0.61 0.36 0.45 -0.34 0.00 0.00 178.44 179.45 2dxb h HIS 132 N 0.14 0.78 -0.60 1.25 3.86 -0.57 -1.26 115.15 118.74 2dxb h HIS 132 Ca 0.06 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.20 2dxb h HIS 132 Cb 0.43 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2dxb h HIS 132 CO 0.04 0.53 0.09 -0.91 0.86 0.00 0.00 177.93 178.54 2dxb h ASN 133 N 0.80 0.93 -0.75 2.45 2.35 -0.59 -2.27 115.58 118.50 2dxb h ASN 133 Ca 0.21 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 2dxb h ASN 133 Cb -0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 2dxb h ASN 133 CO -0.04 0.93 0.31 0.50 -1.65 0.00 0.00 177.43 177.48 2dxb h LYS 134 N 0.92 1.11 -0.68 0.81 1.63 -0.39 0.10 116.57 120.07 2dxb h LYS 134 Ca 0.19 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 2dxb h LYS 134 Cb 0.41 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 2dxb h LYS 134 CO 0.01 0.90 0.35 0.82 -3.45 0.00 0.00 179.45 178.08 2dxb h ILE 135 N 1.07 1.22 -0.63 2.00 2.04 -0.96 -0.25 117.51 122.00 2dxb h ILE 135 Ca 0.25 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 2dxb h ILE 135 Cb 0.19 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2dxb h ILE 135 CO -0.02 0.25 0.29 0.58 0.00 0.00 0.00 178.15 179.25 2dxb h VAL 136 N 0.94 1.22 -0.41 1.67 2.07 -0.96 -1.74 116.25 119.03 2dxb h VAL 136 Ca 0.24 -0.64 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2dxb h VAL 136 Cb 0.08 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2dxb h VAL 136 CO -0.03 0.26 0.23 -0.08 0.02 0.00 0.00 177.57 177.97 2dxb h GLU 137 N 0.87 0.45 -0.30 1.57 4.81 -0.32 -0.84 114.58 120.81 2dxb h GLU 137 Ca 0.22 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2dxb h GLU 137 Cb 0.13 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2dxb h GLU 137 CO -0.03 0.30 0.20 0.52 -0.73 0.00 0.00 179.01 179.27 2dxb h MET 138 N 0.47 0.40 -0.68 1.92 2.86 -0.78 0.18 114.93 119.30 2dxb h MET 138 Ca 0.17 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2dxb h MET 138 Cb 0.03 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2dxb h MET 138 CO -0.09 0.28 0.42 0.00 1.06 0.00 0.00 176.91 178.58 2dxb h ARG 139 N 0.41 0.80 -0.13 1.72 3.08 -0.97 -1.95 114.38 117.34 2dxb h ARG 139 Ca 0.11 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2dxb h ARG 139 Cb -0.03 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2dxb h ARG 139 CO -0.02 0.53 -0.44 0.93 -1.07 0.00 0.00 179.97 179.90 2dxb h GLU 140 N 0.82 0.31 -0.40 0.04 5.08 -0.88 -0.91 114.58 118.64 2dxb h GLU 140 Ca 0.27 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2dxb h GLU 140 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2dxb h GLU 140 CO -0.11 0.69 0.17 -0.09 -1.00 0.00 0.00 179.01 178.67 2dxb h ARG 141 N 0.25 0.56 0.24 2.33 2.43 -0.25 0.92 114.38 120.86 2dxb h ARG 141 Ca 0.02 -0.07 -0.32 0.00 -0.81 0.00 0.00 59.98 58.80 2dxb h ARG 141 Cb 0.88 -0.11 0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2dxb h ARG 141 CO 0.07 0.45 -1.40 0.28 -1.51 0.00 0.00 179.97 177.86 2dxb h VAL 142 N 0.56 1.30 0.00 0.20 2.07 -0.99 -1.47 116.25 117.92 2dxb h VAL 142 Ca 0.14 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.98 2dxb h VAL 142 Cb 0.10 3.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2dxb h VAL 142 CO -0.02 0.80 -0.04 0.00 0.02 0.00 0.00 177.57 178.33 2dxb h ALA 143 N 0.14 1.01 -0.26 1.67 0.00 -0.84 -2.65 119.26 118.33 2dxb h ALA 143 Ca -0.25 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2dxb h ALA 143 Cb 2.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.89 2dxb h ALA 143 CO 0.26 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 2dxb n SER 144 N -3.15 2.52 -0.09 0.00 3.41 0.29 -4.93 113.62 111.67 2dxb n SER 144 Ca 0.01 -1.85 -0.01 0.00 -0.26 0.00 0.00 58.87 56.75 2dxb n SER 144 Cb 0.34 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 64.12 2dxb n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dxb n GLY 145 N 1.31 0.39 0.00 5.00 0.00 -1.00 -4.86 105.19 106.03 2dxb n GLY 145 Ca 0.17 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2dxb n GLY 145 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2dxb n GLN 146 N -1.50 0.25 0.00 1.61 6.02 -0.57 -4.51 117.38 118.67 2dxb n GLN 146 Ca -0.01 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2dxb n GLN 146 Cb 0.22 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2dxb n GLN 146 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dxb n GLY 147 N 0.94 -0.92 2.82 1.08 0.00 -1.12 -4.28 105.19 103.71 2dxb n GLY 147 Ca 0.10 -1.66 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.74 -0.29 0.00 0.99 2.96 0.26 -4.17 118.68 116.69 2dxb s LEU 148 Ca 0.00 -1.29 0.00 0.00 -0.22 0.00 0.00 54.13 52.62 2dxb s LEU 148 Cb 0.00 0.74 0.00 0.00 0.50 0.00 0.00 46.19 47.43 2dxb s LEU 148 CO 0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 2dxb n GLY 149 N 4.50 1.47 0.00 7.98 0.00 -1.26 -1.39 105.19 116.49 2dxb n GLY 149 Ca 0.08 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 9.16 0.83 0.12 1.61 0.28 -1.26 -3.69 120.64 127.69 2dxb n GLU 150 Ca 0.00 -0.00 -0.24 0.00 -0.16 0.00 0.00 57.16 56.76 2dxb n GLU 150 Cb 0.00 -1.50 -0.16 0.00 1.43 0.00 0.00 31.44 31.21 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 0.00 0.86 -3.41 -1.84 0.05 -1.68 -3.46 116.97 107.50 2dxb h TYR 151 Ca 0.00 -0.63 -0.34 0.00 0.05 0.00 0.00 58.73 57.81 2dxb h TYR 151 Cb 0.08 -0.03 -0.37 0.00 1.01 0.00 0.00 36.73 37.42 2dxb h TYR 151 CO 0.00 1.50 -0.74 -1.17 -1.05 0.00 0.00 178.16 176.71 2dxb s LEU 152 N -7.67 0.60 0.37 3.88 2.96 -0.87 -4.97 118.68 112.99 2dxb s LEU 152 Ca -0.11 0.06 -0.25 0.00 -0.22 0.00 0.00 54.13 53.60 2dxb s LEU 152 Cb 0.03 -0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.52 2dxb s LEU 152 CO 0.91 -0.19 1.08 -2.16 -1.32 0.00 0.00 176.35 174.67 2dxb s PRO 153 N 1.63 4.26 0.00 0.98 0.04 -1.26 -0.58 135.00 140.07 2dxb s PRO 153 Ca -0.02 1.63 0.04 0.00 0.04 0.00 0.00 61.00 62.68 2dxb s PRO 153 Cb -0.13 -2.71 0.22 0.00 0.04 0.00 0.00 34.50 31.92 2dxb s PRO 153 CO -0.03 -0.08 0.70 -0.35 0.04 0.00 0.00 177.00 177.27