#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhb s LEU 2 N 0.00 0.97 0.62 7.52 1.02 -1.26 -5.00 118.68 122.55 2dhb s LEU 2 Ca 0.00 -1.03 -0.18 0.00 0.02 0.00 0.00 54.13 52.94 2dhb s LEU 2 Cb 0.00 -0.48 -0.02 0.00 0.02 0.00 0.00 46.19 45.71 2dhb s LEU 2 CO 0.00 -0.37 1.18 -0.94 0.02 0.00 0.00 176.35 176.24 2dhb s SER 3 N 1.96 5.07 0.26 2.29 1.04 -1.26 -4.83 113.70 118.22 2dhb s SER 3 Ca 0.04 2.30 0.03 0.00 0.48 0.00 0.00 55.95 58.80 2dhb s SER 3 Cb -0.17 -2.59 0.67 0.00 0.10 0.00 0.00 66.02 64.04 2dhb s SER 3 CO -0.19 -1.67 1.26 0.00 0.98 0.00 0.00 173.24 173.62 2dhb n ALA 4 N -1.87 0.46 0.27 5.32 0.00 -1.26 -0.82 120.51 122.61 2dhb n ALA 4 Ca 0.13 0.86 0.11 0.00 0.00 0.00 0.00 53.44 54.54 2dhb n ALA 4 Cb 0.50 -0.65 0.75 0.00 0.00 0.00 0.00 19.45 20.05 2dhb n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhb h ALA 5 N 1.61 1.69 0.00 0.00 0.00 -1.97 0.11 119.26 120.70 2dhb h ALA 5 Ca 0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 2dhb h ALA 5 Cb 1.10 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dhb h ALA 5 CO -0.74 0.04 -0.17 -0.44 0.00 0.00 0.00 179.25 177.94 2dhb h ASP 6 N 0.00 0.00 -0.27 0.00 5.19 -1.33 -2.71 116.42 117.30 2dhb h ASP 6 Ca -0.00 -0.85 0.08 0.00 -0.62 0.00 0.00 57.03 55.64 2dhb h ASP 6 Cb 0.07 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 2dhb h ASP 6 CO 0.00 1.02 0.25 0.11 -3.12 0.00 0.00 179.24 177.51 2dhb h LYS 7 N -1.00 0.00 0.00 3.56 1.57 0.51 -2.52 116.57 118.69 2dhb h LYS 7 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2dhb h LYS 7 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.27 2dhb h LYS 7 CO -0.03 0.00 0.00 2.41 -0.57 0.00 0.00 179.45 181.26 2dhb n THR 8 N -3.98 0.00 -0.60 -0.16 -1.04 0.24 -3.42 114.28 105.33 2dhb n THR 8 Ca 0.04 0.38 0.46 0.00 -2.04 0.00 0.00 64.05 62.88 2dhb n THR 8 Cb 0.40 -1.19 0.72 0.00 -1.82 0.00 0.00 70.33 68.44 2dhb n THR 8 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2dhb n ASN 9 N -1.78 0.05 0.09 8.00 3.02 -0.99 -0.17 115.26 123.49 2dhb n ASN 9 Ca 0.00 1.01 -0.05 0.00 -0.03 0.00 0.00 54.58 55.51 2dhb n ASN 9 Cb 0.00 -0.50 0.10 0.00 -0.61 0.00 0.00 39.78 38.77 2dhb n ASN 9 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2dhb h VAL 10 N 0.00 1.41 0.16 2.41 2.07 -1.61 -3.23 116.25 117.47 2dhb h VAL 10 Ca 0.85 -2.10 -0.31 0.00 0.82 0.00 0.00 66.70 65.96 2dhb h VAL 10 Cb 3.25 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 35.11 2dhb h VAL 10 CO -0.13 0.62 -1.48 0.11 0.02 0.00 0.00 177.57 176.71 2dhb h LYS 11 N 0.15 0.34 -0.14 1.57 1.57 -0.58 -2.37 116.57 117.12 2dhb h LYS 11 Ca -0.01 -0.59 0.03 0.00 -1.87 0.00 0.00 60.65 58.21 2dhb h LYS 11 Cb 1.17 0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.67 2dhb h LYS 11 CO 0.10 1.24 -0.04 0.00 -0.57 0.00 0.00 179.45 180.18 2dhb h ALA 12 N 0.38 0.08 -0.32 3.86 0.00 -1.56 -1.55 119.26 120.16 2dhb h ALA 12 Ca -0.23 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 2dhb h ALA 12 Cb 2.05 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 2dhb h ALA 12 CO 0.20 -0.49 -0.37 0.00 0.00 0.00 0.00 179.25 178.59 2dhb h ALA 13 N 1.12 0.75 -0.05 0.00 0.00 -1.68 -1.41 119.26 118.00 2dhb h ALA 13 Ca 0.07 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2dhb h ALA 13 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dhb h ALA 13 CO -0.15 0.66 0.00 1.87 0.00 0.00 0.00 179.25 181.62 2dhb n TRP 14 N -4.05 0.05 -0.02 0.00 -0.00 -0.85 -2.83 117.44 109.74 2dhb n TRP 14 Ca -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2dhb n TRP 14 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 2dhb n TRP 14 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2dhb n SER 15 N -0.09 1.82 -0.11 5.87 3.41 -0.55 -3.95 113.62 120.00 2dhb n SER 15 Ca 0.19 -1.84 -0.15 0.00 -0.26 0.00 0.00 58.87 56.81 2dhb n SER 15 Cb 0.28 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.10 2dhb n SER 15 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2dhb n LYS 16 N -0.42 0.69 -0.36 4.33 4.76 -1.07 -4.23 118.16 121.86 2dhb n LYS 16 Ca 0.00 0.09 0.01 0.00 -2.87 0.00 0.00 58.31 55.55 2dhb n LYS 16 Cb 0.22 -1.49 0.17 0.00 -1.84 0.00 0.00 35.03 32.08 2dhb n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2dhb h VAL 17 N 0.00 1.15 0.00 -0.18 2.07 -1.77 -3.45 116.25 114.07 2dhb h VAL 17 Ca -0.54 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.56 2dhb h VAL 17 Cb 1.96 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2dhb h VAL 17 CO -0.05 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.37 2dhb n GLY 18 N -1.38 1.14 1.62 2.17 0.00 -1.25 -0.28 105.19 107.21 2dhb n GLY 18 Ca 0.14 0.36 -0.08 0.00 0.00 0.00 0.00 46.02 46.43 2dhb n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dhb n GLY 19 N 0.00 3.15 0.00 -0.02 0.00 -1.26 -2.90 105.19 104.16 2dhb n GLY 19 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2dhb n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dhb n HIS 20 N -0.20 0.00 -0.29 1.61 8.25 0.61 -4.79 115.22 120.41 2dhb n HIS 20 Ca 0.30 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.79 2dhb n HIS 20 Cb 1.09 0.00 0.11 0.00 1.12 0.00 0.00 29.99 32.31 2dhb n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dhb h ALA 21 N 0.00 0.57 -0.02 -1.41 0.00 -1.38 0.22 119.26 117.24 2dhb h ALA 21 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2dhb h ALA 21 Cb 0.08 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2dhb h ALA 21 CO 0.00 -0.41 -0.26 0.41 0.00 0.00 0.00 179.25 179.00 2dhb n GLY 22 N -1.53 0.09 0.12 0.00 0.00 -1.26 -0.58 105.19 102.03 2dhb n GLY 22 Ca 0.12 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.36 2dhb n GLY 22 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dhb h GLU 23 N 2.63 0.30 -0.01 1.61 3.07 -1.28 -3.27 114.58 117.63 2dhb h GLU 23 Ca 0.00 -0.51 -0.08 0.00 -0.50 0.00 0.00 59.36 58.26 2dhb h GLU 23 Cb 0.72 0.19 0.01 0.00 -0.84 0.00 0.00 28.75 28.82 2dhb h GLU 23 CO 0.00 1.25 -0.32 1.88 -1.40 0.00 0.00 179.01 180.42 2dhb h TYR 24 N -0.32 0.33 0.00 4.33 0.99 -0.63 -3.19 116.97 118.48 2dhb h TYR 24 Ca -0.20 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.34 2dhb h TYR 24 Cb 1.71 -0.04 -0.00 0.00 1.00 0.00 0.00 36.73 39.40 2dhb h TYR 24 CO 0.17 0.97 -0.07 0.78 -0.00 0.00 0.00 178.16 180.02 2dhb h GLY 25 N -0.41 0.00 1.47 3.88 0.00 -1.03 -0.85 103.07 106.14 2dhb h GLY 25 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2dhb h GLY 25 CO 0.06 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.81 2dhb h ALA 26 N 1.93 0.68 -0.03 3.60 0.00 -1.59 -1.86 119.26 122.01 2dhb h ALA 26 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2dhb h ALA 26 Cb 0.14 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2dhb h ALA 26 CO 0.01 0.45 -0.07 -1.91 0.00 0.00 0.00 179.25 177.73 2dhb n GLU 27 N -2.98 1.90 -0.12 0.00 0.00 -0.59 -2.36 120.64 116.49 2dhb n GLU 27 Ca -0.01 -1.66 -0.17 0.00 0.00 0.00 0.00 57.16 55.32 2dhb n GLU 27 Cb 0.68 -1.41 -0.12 0.00 0.00 0.00 0.00 31.44 30.59 2dhb n GLU 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dhb n ALA 28 N 1.02 1.46 -0.16 4.31 0.00 -0.43 -3.51 120.51 123.19 2dhb n ALA 28 Ca 0.12 -1.10 -0.04 0.00 0.00 0.00 0.00 53.44 52.43 2dhb n ALA 28 Cb 0.52 -0.09 0.06 0.00 0.00 0.00 0.00 19.45 19.94 2dhb n ALA 28 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2dhb h LEU 29 N 0.00 0.28 -0.38 0.00 3.38 -1.40 -2.76 115.31 114.43 2dhb h LEU 29 Ca -0.56 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2dhb h LEU 29 Cb 1.90 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2dhb h LEU 29 CO -0.08 0.19 0.21 -0.08 0.09 0.00 0.00 178.44 178.77 2dhb h GLU 30 N 0.43 0.53 0.00 1.13 4.81 -1.63 -2.42 114.58 117.43 2dhb h GLU 30 Ca 0.23 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.29 2dhb h GLU 30 Cb 0.20 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2dhb h GLU 30 CO -0.20 0.44 -0.52 0.00 -0.73 0.00 0.00 179.01 177.99 2dhb h ARG 31 N 0.48 0.00 -0.09 1.92 3.08 -1.56 0.55 114.38 118.76 2dhb h ARG 31 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2dhb h ARG 31 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2dhb h ARG 31 CO -0.02 0.52 0.00 1.98 -1.07 0.00 0.00 179.97 181.39 2dhb h MET 32 N 0.00 0.17 -0.92 0.04 4.05 -1.16 0.65 114.93 117.76 2dhb h MET 32 Ca -0.01 -0.05 0.24 0.00 -0.28 0.00 0.00 59.70 59.60 2dhb h MET 32 Cb 1.20 -0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.93 2dhb h MET 32 CO 0.07 0.42 0.63 0.74 0.23 0.00 0.00 176.91 178.99 2dhb h PHE 33 N -0.10 0.32 0.00 1.39 0.04 -1.02 0.19 116.94 117.76 2dhb h PHE 33 Ca 0.03 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 2dhb h PHE 33 Cb 0.34 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2dhb h PHE 33 CO 0.03 0.07 -0.64 -0.07 -0.60 0.00 0.00 178.31 177.10 2dhb h LEU 34 N 0.23 0.00 0.00 1.54 3.38 -0.86 -2.79 115.31 116.81 2dhb h LEU 34 Ca 0.47 -0.60 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 2dhb h LEU 34 Cb 1.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2dhb h LEU 34 CO -0.12 1.17 -0.81 1.23 0.09 0.00 0.00 178.44 180.00 2dhb h GLY 35 N -1.00 0.00 -5.90 0.83 0.00 0.16 -3.36 103.07 93.80 2dhb h GLY 35 Ca -0.16 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.69 2dhb h GLY 35 CO -0.10 0.00 -1.10 0.69 0.00 0.00 0.00 176.54 176.03 2dhb n PHE 36 N -3.13 -0.26 0.00 5.60 3.01 0.55 -5.01 117.46 118.22 2dhb n PHE 36 Ca -0.02 -3.58 0.00 0.00 1.01 0.00 0.00 57.45 54.86 2dhb n PHE 36 Cb 0.78 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 2dhb n PHE 36 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 2dhb n PRO 37 N 0.58 0.00 -0.27 -1.08 -0.02 -1.05 -0.97 135.00 132.18 2dhb n PRO 37 Ca 0.22 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.82 2dhb n PRO 37 Cb 0.63 0.00 0.37 0.00 -0.02 0.00 0.00 33.50 34.48 2dhb n PRO 37 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2dhb h THR 38 N 0.00 0.84 0.00 3.45 2.02 -1.92 -3.38 112.91 113.93 2dhb h THR 38 Ca 0.00 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.73 2dhb h THR 38 Cb 0.00 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.45 2dhb h THR 38 CO 0.00 0.13 -1.57 0.35 0.37 0.00 0.00 175.52 174.80 2dhb n THR 39 N -4.56 1.26 0.00 3.16 -2.24 -0.15 -4.39 114.28 107.36 2dhb n THR 39 Ca 0.17 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2dhb n THR 39 Cb 0.46 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2dhb n THR 39 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2dhb n LYS 40 N -2.89 0.00 0.02 -0.78 -0.00 -1.26 -2.38 118.16 110.87 2dhb n LYS 40 Ca -0.13 0.19 -0.05 0.00 -0.00 0.00 0.00 58.31 58.32 2dhb n LYS 40 Cb 0.90 -1.58 -0.11 0.00 -0.00 0.00 0.00 35.03 34.24 2dhb n LYS 40 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 2dhb h THR 41 N 0.00 0.98 -0.29 0.58 1.35 -1.84 -3.28 112.91 110.42 2dhb h THR 41 Ca 0.00 -2.68 -0.02 0.00 -0.55 0.00 0.00 66.41 63.16 2dhb h THR 41 Cb 0.16 2.44 -0.01 0.00 -1.73 0.00 0.00 68.15 69.01 2dhb h THR 41 CO 0.00 0.56 0.03 -1.22 -0.25 0.00 0.00 175.52 174.64 2dhb n TYR 42 N -3.10 1.04 -2.54 4.73 4.01 -1.00 -4.56 117.16 115.73 2dhb n TYR 42 Ca -0.09 -0.42 -0.02 0.00 -0.16 0.00 0.00 57.90 57.21 2dhb n TYR 42 Cb 0.95 -0.32 0.05 0.00 -0.31 0.00 0.00 39.34 39.71 2dhb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2dhb n PHE 43 N 0.25 -0.45 0.39 -0.72 3.01 -1.23 -4.99 117.46 113.71 2dhb n PHE 43 Ca 0.15 -1.38 0.06 0.00 1.01 0.00 0.00 57.45 57.28 2dhb n PHE 43 Cb 0.74 0.61 0.25 0.00 -0.01 0.00 0.00 39.48 41.07 2dhb n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2dhb n PRO 44 N -0.66 0.00 0.03 -1.08 -0.04 -1.25 -3.12 135.00 128.89 2dhb n PRO 44 Ca -0.10 0.31 -0.04 0.00 -0.04 0.00 0.00 63.50 63.63 2dhb n PRO 44 Cb 0.86 -1.51 -0.09 0.00 -0.04 0.00 0.00 33.50 32.72 2dhb n PRO 44 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2dhb h HIS 45 N 0.00 0.00 -3.55 0.54 2.07 -1.94 -3.46 115.15 108.81 2dhb h HIS 45 Ca 0.00 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 57.00 2dhb h HIS 45 Cb 0.20 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.15 2dhb h HIS 45 CO 0.00 0.78 0.30 -0.06 -3.07 0.00 0.00 177.93 175.88 2dhb s PHE 46 N -2.78 3.82 -1.03 6.12 2.99 -1.18 -4.98 117.98 120.94 2dhb s PHE 46 Ca -0.02 1.72 -0.23 0.00 0.00 0.00 0.00 56.93 58.40 2dhb s PHE 46 Cb 0.08 -2.97 -0.04 0.00 0.00 0.00 0.00 43.02 40.10 2dhb s PHE 46 CO 0.81 0.27 1.86 0.34 -0.00 0.00 0.00 175.22 178.50 2dhb s ASP 47 N -0.22 5.43 -0.33 1.36 -1.08 -1.26 -4.98 116.67 115.59 2dhb s ASP 47 Ca 0.43 -1.20 -0.21 0.00 -0.52 0.00 0.00 52.55 51.05 2dhb s ASP 47 Cb -0.23 -2.57 -0.00 0.00 -1.46 0.00 0.00 42.92 38.66 2dhb s ASP 47 CO 0.28 -2.55 0.68 -0.76 0.52 0.00 0.00 175.17 173.35 2dhb s LEU 48 N 9.18 4.17 0.00 -1.34 1.43 -1.26 -4.17 118.68 126.69 2dhb s LEU 48 Ca 0.65 0.37 -0.28 0.00 -1.03 0.00 0.00 54.13 53.84 2dhb s LEU 48 Cb -0.03 -2.88 0.09 0.00 0.03 0.00 0.00 46.19 43.40 2dhb s LEU 48 CO 0.03 -0.58 1.27 -1.54 0.23 0.00 0.00 176.35 175.76 2dhb n SER 49 N 6.07 -1.25 0.00 2.29 3.41 -1.26 -4.98 113.62 117.90 2dhb n SER 49 Ca 0.00 -1.31 0.04 0.00 -0.26 0.00 0.00 58.87 57.35 2dhb n SER 49 Cb 0.49 1.95 0.18 0.00 -0.26 0.00 0.00 64.21 66.57 2dhb n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2dhb n HIS 50 N -0.91 0.00 -0.05 7.33 -0.00 -1.26 -3.66 115.22 116.67 2dhb n HIS 50 Ca 0.04 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.20 2dhb n HIS 50 Cb 0.58 -0.50 -0.01 0.00 -0.12 0.00 0.00 29.99 29.95 2dhb n HIS 50 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2dhb h GLY 51 N 1.47 0.00 0.00 1.57 0.00 -1.94 -3.48 103.07 100.69 2dhb h GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dhb h GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 2dhb n SER 52 N -4.01 0.00 0.00 0.19 7.64 -1.24 -4.87 113.62 111.33 2dhb n SER 52 Ca -0.03 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.95 2dhb n SER 52 Cb 0.13 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 63.90 2dhb n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dhb n ALA 53 N 0.00 2.17 0.16 -0.43 0.00 -1.26 -2.69 120.51 118.47 2dhb n ALA 53 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.37 2dhb n ALA 53 Cb 0.00 -1.35 0.21 0.00 0.00 0.00 0.00 19.45 18.30 2dhb n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2dhb h GLN 54 N 0.00 0.00 0.11 0.00 4.15 -1.89 0.20 115.11 117.68 2dhb h GLN 54 Ca 0.00 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.06 2dhb h GLN 54 Cb 0.15 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2dhb h GLN 54 CO 0.00 0.46 -1.99 0.28 -1.93 0.00 0.00 178.83 175.64 2dhb n VAL 55 N -3.42 1.75 0.08 2.39 0.31 -1.18 -0.80 118.33 117.45 2dhb n VAL 55 Ca 0.00 -0.61 -0.20 0.00 -0.01 0.00 0.00 64.34 63.53 2dhb n VAL 55 Cb 0.61 -1.73 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 2dhb n VAL 55 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2dhb h LYS 56 N -0.01 0.57 -0.25 5.55 5.09 -1.47 0.51 116.57 126.56 2dhb h LYS 56 Ca -0.43 -0.72 0.01 0.00 0.09 0.00 0.00 60.65 59.60 2dhb h LYS 56 Cb 1.98 0.23 -0.01 0.00 0.10 0.00 0.00 32.23 34.52 2dhb h LYS 56 CO 0.05 1.31 0.15 0.00 -2.09 0.00 0.00 179.45 178.87 2dhb h ALA 57 N 0.42 0.31 -0.08 0.07 0.00 -0.71 -0.15 119.26 119.11 2dhb h ALA 57 Ca -0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2dhb h ALA 57 Cb 1.82 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2dhb h ALA 57 CO 0.22 -0.23 0.03 1.25 0.00 0.00 0.00 179.25 180.51 2dhb h HIS 58 N 0.31 0.13 0.00 0.00 -0.00 -1.07 -1.85 115.15 112.67 2dhb h HIS 58 Ca 0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2dhb h HIS 58 Cb -0.02 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2dhb h HIS 58 CO -0.07 0.24 0.00 0.41 -0.00 0.00 0.00 177.93 178.51 2dhb n GLY 59 N -0.67 -0.71 0.13 5.26 0.00 0.18 -1.77 105.19 107.61 2dhb n GLY 59 Ca -0.06 -0.10 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2dhb n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dhb n LYS 60 N -1.12 0.64 0.00 1.61 4.81 -0.09 -3.50 118.16 120.51 2dhb n LYS 60 Ca 0.12 0.28 0.08 0.00 -0.87 0.00 0.00 58.31 57.92 2dhb n LYS 60 Cb 0.10 -1.59 0.47 0.00 0.02 0.00 0.00 35.03 34.03 2dhb n LYS 60 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2dhb n LYS 61 N -3.79 0.43 -0.10 1.64 5.02 -0.73 -1.11 118.16 119.52 2dhb n LYS 61 Ca -0.43 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 55.74 2dhb n LYS 61 Cb 0.92 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.37 2dhb n LYS 61 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dhb n VAL 62 N -1.10 1.49 0.09 -0.18 0.31 -1.23 -2.83 118.33 114.89 2dhb n VAL 62 Ca 0.11 -0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.35 2dhb n VAL 62 Cb 0.08 -2.18 -0.02 0.00 -0.91 0.00 0.00 33.84 30.82 2dhb n VAL 62 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dhb h ALA 63 N -0.87 0.50 -0.96 3.52 0.00 -1.65 -1.88 119.26 117.91 2dhb h ALA 63 Ca -0.25 -0.74 0.25 0.00 0.00 0.00 0.00 54.91 54.17 2dhb h ALA 63 Cb 1.08 -0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.66 2dhb h ALA 63 CO -0.15 0.94 0.51 0.22 0.00 0.00 0.00 179.25 180.76 2dhb h ASP 64 N 0.10 0.51 -0.68 0.00 1.82 -1.31 0.38 116.42 117.23 2dhb h ASP 64 Ca -0.04 0.15 -0.08 0.00 -0.39 0.00 0.00 57.03 56.67 2dhb h ASP 64 Cb 1.53 0.09 -0.03 0.00 0.68 0.00 0.00 39.33 41.61 2dhb h ASP 64 CO 0.14 0.02 0.10 1.23 -1.61 0.00 0.00 179.24 179.12 2dhb h GLY 65 N 0.46 1.21 0.06 -0.78 0.00 -1.30 -3.03 103.07 99.69 2dhb h GLY 65 Ca 0.63 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 2dhb h GLY 65 CO -0.52 0.75 -2.03 1.04 0.00 0.00 0.00 176.54 175.77 2dhb n LEU 66 N -4.21 0.05 -0.25 3.11 4.77 -0.10 -3.66 117.00 116.70 2dhb n LEU 66 Ca 0.04 0.02 -0.03 0.00 -0.03 0.00 0.00 56.01 56.02 2dhb n LEU 66 Cb 0.30 0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.58 2dhb n LEU 66 CO 0.43 0.10 1.14 0.74 -1.33 0.00 0.00 177.39 178.48 2dhb h THR 67 N 0.00 1.07 -0.11 -5.08 2.02 -0.23 -2.26 112.91 108.32 2dhb h THR 67 Ca -0.12 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2dhb h THR 67 Cb 1.28 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2dhb h THR 67 CO 0.01 0.15 0.00 -0.11 0.37 0.00 0.00 175.52 175.94 2dhb n LEU 68 N -4.68 1.84 -0.09 2.58 0.00 -1.16 -3.41 117.00 112.08 2dhb n LEU 68 Ca 0.08 -0.70 -0.08 0.00 0.00 0.00 0.00 56.01 55.31 2dhb n LEU 68 Cb 0.11 -0.06 -0.16 0.00 0.00 0.00 0.00 43.42 43.31 2dhb n LEU 68 CO 0.32 0.35 -1.06 0.00 0.00 0.00 0.00 177.39 177.00 2dhb n ALA 69 N 0.43 1.59 -0.16 1.96 0.00 -0.89 -2.85 120.51 120.59 2dhb n ALA 69 Ca 0.17 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.28 2dhb n ALA 69 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.55 2dhb n ALA 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dhb h VAL 70 N 0.00 1.27 -0.16 0.00 2.07 -1.48 -2.79 116.25 115.16 2dhb h VAL 70 Ca -0.49 -1.37 -0.20 0.00 0.82 0.00 0.00 66.70 65.46 2dhb h VAL 70 Cb 2.14 1.10 0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2dhb h VAL 70 CO 0.03 0.47 -0.70 1.23 0.02 0.00 0.00 177.57 178.63 2dhb h GLY 71 N 0.87 0.83 -4.73 2.17 0.00 -1.66 -3.20 103.07 97.35 2dhb h GLY 71 Ca 0.11 -1.15 -0.64 0.00 0.00 0.00 0.00 47.33 45.66 2dhb h GLY 71 CO 0.07 1.02 -0.24 1.42 0.00 0.00 0.00 176.54 178.81 2dhb n HIS 72 N -4.01 3.34 0.37 5.60 8.25 -1.13 -4.75 115.22 122.89 2dhb n HIS 72 Ca -0.07 -2.97 0.12 0.00 -0.26 0.00 0.00 57.72 54.54 2dhb n HIS 72 Cb 0.70 -0.41 0.17 0.00 1.12 0.00 0.00 29.99 31.57 2dhb n HIS 72 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2dhb h LEU 73 N 2.75 0.00 -0.06 2.41 5.85 -1.49 0.89 115.31 125.66 2dhb h LEU 73 Ca 0.36 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.84 2dhb h LEU 73 Cb 0.66 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.70 2dhb h LEU 73 CO 1.00 0.03 -0.65 0.44 -0.34 0.00 0.00 178.44 178.92 2dhb h ASP 74 N 0.00 0.67 -0.20 1.25 5.19 -1.87 -3.40 116.42 118.05 2dhb h ASP 74 Ca 0.00 -0.70 -0.10 0.00 -0.62 0.00 0.00 57.03 55.61 2dhb h ASP 74 Cb 0.87 -0.20 -0.06 0.00 0.18 0.00 0.00 39.33 40.12 2dhb h ASP 74 CO 0.00 1.27 -0.26 -0.90 -3.12 0.00 0.00 179.24 176.23 2dhb n ASP 75 N -4.14 2.14 -0.06 6.45 5.68 -1.21 -4.90 116.55 120.51 2dhb n ASP 75 Ca -0.09 -3.84 -0.01 0.00 -0.50 0.00 0.00 54.79 50.36 2dhb n ASP 75 Cb 0.68 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2dhb n ASP 75 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2dhb n LEU 76 N -1.12 -0.12 -4.56 -2.12 4.77 0.30 -2.96 117.00 111.19 2dhb n LEU 76 Ca 0.27 0.28 -0.25 0.00 -0.03 0.00 0.00 56.01 56.28 2dhb n LEU 76 Cb 0.89 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 2dhb n LEU 76 CO 0.09 -0.25 1.48 -2.16 -1.33 0.00 0.00 177.39 175.22 2dhb s PRO 77 N -5.14 2.10 0.00 3.23 0.04 -1.26 -1.72 135.00 132.25 2dhb s PRO 77 Ca -0.02 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2dhb s PRO 77 Cb 0.03 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.81 2dhb s PRO 77 CO 0.11 -3.68 0.00 0.41 0.04 0.00 0.00 177.00 173.88 2dhb n GLY 78 N 6.49 3.18 0.30 0.56 0.00 -1.16 -4.89 105.19 109.68 2dhb n GLY 78 Ca 0.39 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 46.01 2dhb n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dhb h ALA 79 N 0.00 1.87 -0.10 4.61 0.00 -1.44 -3.00 119.26 121.21 2dhb h ALA 79 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dhb h ALA 79 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2dhb h ALA 79 CO 0.00 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.62 2dhb n LEU 80 N -4.49 2.31 -0.28 0.00 4.77 -0.70 -4.73 117.00 113.88 2dhb n LEU 80 Ca 0.03 -2.06 0.09 0.00 -0.03 0.00 0.00 56.01 54.03 2dhb n LEU 80 Cb 0.14 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.37 2dhb n LEU 80 CO 0.35 0.58 0.91 -1.28 -1.33 0.00 0.00 177.39 176.61 2dhb h SER 81 N 0.59 -0.10 0.02 -1.43 0.87 -1.78 -1.25 113.55 110.47 2dhb h SER 81 Ca 0.00 0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2dhb h SER 81 Cb 0.60 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2dhb h SER 81 CO 0.00 -0.14 -0.01 -2.24 -0.53 0.00 0.00 176.83 173.92 2dhb h ASP 82 N 0.19 -0.02 0.00 6.23 3.04 -1.85 -1.06 116.42 122.96 2dhb h ASP 82 Ca 0.49 -0.67 0.00 0.00 -3.24 0.00 0.00 57.03 53.60 2dhb h ASP 82 Cb 0.92 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 2dhb h ASP 82 CO -0.63 0.79 0.00 -0.11 -2.04 0.00 0.00 179.24 177.25 2dhb n LEU 83 N -4.69 0.60 0.00 0.15 7.94 -0.51 -0.37 117.00 120.12 2dhb n LEU 83 Ca -0.07 -0.30 0.00 0.00 -1.11 0.00 0.00 56.01 54.53 2dhb n LEU 83 Cb 0.33 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2dhb n LEU 83 CO 0.25 0.15 0.00 -1.54 -1.11 0.00 0.00 177.39 175.14 2dhb n SER 84 N 0.03 0.00 0.21 1.96 3.41 -1.00 -4.24 113.62 113.99 2dhb n SER 84 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2dhb n SER 84 Cb 0.15 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.32 2dhb n SER 84 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2dhb h ASN 85 N 0.00 0.00 0.07 4.04 -1.24 -0.47 -3.36 115.58 114.61 2dhb h ASN 85 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2dhb h ASN 85 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 2dhb h ASN 85 CO 0.00 0.00 -0.44 0.25 -1.29 0.00 0.00 177.43 175.95 2dhb h LEU 86 N 0.00 0.27 -1.03 0.34 5.85 -0.96 -1.79 115.31 117.99 2dhb h LEU 86 Ca 0.00 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.78 2dhb h LEU 86 Cb 0.95 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2dhb h LEU 86 CO 0.00 1.19 0.00 0.45 -0.34 0.00 0.00 178.44 179.74 2dhb h HIS 87 N -0.60 0.00 0.00 1.25 3.86 -1.75 -3.02 115.15 114.89 2dhb h HIS 87 Ca -0.07 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.87 2dhb h HIS 87 Cb 1.32 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.74 2dhb h HIS 87 CO 0.22 0.00 -1.97 0.00 0.86 0.00 0.00 177.93 177.04 2dhb n ALA 88 N -1.89 1.70 0.10 2.45 0.00 -1.23 -0.90 120.51 120.74 2dhb n ALA 88 Ca 0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 53.44 52.58 2dhb n ALA 88 Cb 0.25 0.16 -0.14 0.00 0.00 0.00 0.00 19.45 19.72 2dhb n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dhb h HIS 89 N -0.19 0.48 0.00 0.00 3.86 -1.36 -3.40 115.15 114.55 2dhb h HIS 89 Ca -0.40 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 58.46 2dhb h HIS 89 Cb 1.53 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.98 2dhb h HIS 89 CO -0.00 1.27 0.00 1.63 0.86 0.00 0.00 177.93 181.69 2dhb n LYS 90 N -3.53 0.00 -0.13 2.45 4.76 -1.15 -4.76 118.16 115.80 2dhb n LYS 90 Ca -0.08 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.32 2dhb n LYS 90 Cb 1.02 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 34.37 2dhb n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2dhb h LEU 91 N 0.00 0.79 -1.85 -0.35 3.38 -1.69 -3.46 115.31 112.12 2dhb h LEU 91 Ca 0.00 -0.17 -0.47 0.00 0.09 0.00 0.00 57.88 57.33 2dhb h LEU 91 Cb 0.00 -0.21 -0.19 0.00 0.09 0.00 0.00 40.66 40.35 2dhb h LEU 91 CO 0.00 0.81 -0.73 0.54 0.09 0.00 0.00 178.44 179.15 2dhb n ARG 92 N -4.24 -0.91 -2.26 1.13 1.74 -0.08 -4.94 116.66 107.10 2dhb n ARG 92 Ca 0.03 0.08 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 2dhb n ARG 92 Cb 0.26 -2.94 -0.02 0.00 -1.02 0.00 0.00 32.46 28.74 2dhb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dhb s VAL 93 N -3.73 3.88 -0.00 1.55 1.01 -1.20 -5.00 120.40 116.90 2dhb s VAL 93 Ca 0.15 0.97 -0.35 0.00 0.00 0.00 0.00 61.98 62.75 2dhb s VAL 93 Cb -0.09 -3.95 -0.13 0.00 0.00 0.00 0.00 36.38 32.21 2dhb s VAL 93 CO 0.77 -0.44 1.72 -0.67 0.00 0.00 0.00 175.10 176.47 2dhb n ASP 94 N 8.34 3.08 0.00 3.32 4.64 -1.26 -4.87 116.55 129.79 2dhb n ASP 94 Ca 0.17 1.03 0.00 0.00 -1.38 0.00 0.00 54.79 54.62 2dhb n ASP 94 Cb 0.46 -1.35 0.00 0.00 -1.04 0.00 0.00 41.12 39.19 2dhb n ASP 94 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2dhb n PRO 95 N 5.04 0.00 -0.12 -0.67 -0.04 -1.26 -2.18 135.00 135.77 2dhb n PRO 95 Ca 0.21 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 2dhb n PRO 95 Cb 0.27 -1.08 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 2dhb n PRO 95 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dhb n VAL 96 N -0.46 1.54 0.26 0.52 0.31 -1.26 -4.13 118.33 115.11 2dhb n VAL 96 Ca 0.00 -0.48 0.13 0.00 -0.01 0.00 0.00 64.34 63.98 2dhb n VAL 96 Cb 0.00 -1.65 0.66 0.00 -0.91 0.00 0.00 33.84 31.94 2dhb n VAL 96 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 2dhb h ASN 97 N -0.41 0.00 -0.62 4.52 4.21 -1.84 -2.86 115.58 118.59 2dhb h ASN 97 Ca -0.59 0.00 0.18 0.00 1.21 0.00 0.00 56.30 57.09 2dhb h ASN 97 Cb 1.78 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.95 2dhb h ASN 97 CO -0.20 0.13 0.44 -0.26 -1.29 0.00 0.00 177.43 176.26 2dhb h PHE 98 N 0.00 0.02 0.00 1.19 0.04 -1.78 0.24 116.94 116.66 2dhb h PHE 98 Ca -0.00 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.63 2dhb h PHE 98 Cb 0.48 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2dhb h PHE 98 CO 0.00 0.01 -0.94 0.87 -0.60 0.00 0.00 178.31 177.65 2dhb h LYS 99 N 0.02 0.00 0.04 1.51 1.57 -1.75 -1.30 116.57 116.66 2dhb h LYS 99 Ca 0.30 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.80 2dhb h LYS 99 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 2dhb h LYS 99 CO -0.01 0.44 -1.47 -0.07 -0.57 0.00 0.00 179.45 177.77 2dhb h LEU 100 N 0.00 0.13 0.24 2.94 3.38 -0.72 -2.56 115.31 118.72 2dhb h LEU 100 Ca -0.07 -0.20 -0.33 0.00 0.09 0.00 0.00 57.88 57.37 2dhb h LEU 100 Cb 1.50 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 42.24 2dhb h LEU 100 CO 0.06 1.17 -1.48 0.25 0.09 0.00 0.00 178.44 178.53 2dhb h LEU 101 N 0.02 0.79 -1.36 1.67 7.12 -1.17 -1.26 115.31 121.12 2dhb h LEU 101 Ca -0.20 -0.92 -0.04 0.00 0.13 0.00 0.00 57.88 56.84 2dhb h LEU 101 Cb 1.95 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.80 2dhb h LEU 101 CO 0.12 1.71 -0.00 0.28 -0.13 0.00 0.00 178.44 180.41 2dhb h SER 102 N 0.10 0.38 1.45 1.25 0.02 -1.31 0.34 113.55 115.79 2dhb h SER 102 Ca -0.26 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.55 2dhb h SER 102 Cb 2.13 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.55 2dhb h SER 102 CO 0.25 0.45 -0.56 -0.74 -1.14 0.00 0.00 176.83 175.09 2dhb h HIS 103 N 0.40 0.00 0.00 3.45 -0.00 -1.51 0.20 115.15 117.70 2dhb h HIS 103 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 2dhb h HIS 103 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2dhb h HIS 103 CO 0.01 0.33 -0.64 0.00 -0.00 0.00 0.00 177.93 177.63 2dhb n LEU 105 N -2.47 1.64 -0.04 0.00 7.94 0.11 -3.82 117.00 120.36 2dhb n LEU 105 Ca 0.02 0.33 -0.12 0.00 -1.11 0.00 0.00 56.01 55.14 2dhb n LEU 105 Cb 0.49 -0.39 -0.06 0.00 0.53 0.00 0.00 43.42 43.99 2dhb n LEU 105 CO 0.37 0.59 0.76 0.25 -1.11 0.00 0.00 177.39 178.25 2dhb h LEU 106 N 0.03 0.22 0.55 -1.96 6.46 -0.67 -2.80 115.31 117.14 2dhb h LEU 106 Ca -0.34 -0.28 -0.03 0.00 -0.12 0.00 0.00 57.88 57.11 2dhb h LEU 106 Cb 2.02 -0.06 0.01 0.00 -0.73 0.00 0.00 40.66 41.90 2dhb h LEU 106 CO 0.08 0.44 -0.26 0.28 -0.62 0.00 0.00 178.44 178.36 2dhb h SER 107 N -0.01 -0.63 -0.01 1.25 0.02 -1.75 -3.05 113.55 109.38 2dhb h SER 107 Ca 0.04 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2dhb h SER 107 Cb 0.32 0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 2dhb h SER 107 CO 0.00 -0.35 -0.00 0.41 -1.14 0.00 0.00 176.83 175.75 2dhb n THR 108 N -5.35 -0.00 0.00 -2.27 -1.04 -1.06 0.17 114.28 104.73 2dhb n THR 108 Ca -0.12 0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2dhb n THR 108 Cb 0.33 -0.02 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 2dhb n THR 108 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2dhb n LEU 109 N -3.93 0.00 -0.34 -4.42 4.32 -1.26 -3.54 117.00 107.83 2dhb n LEU 109 Ca 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 2dhb n LEU 109 Cb 0.00 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.03 2dhb n LEU 109 CO -0.00 0.00 0.76 0.00 -1.22 0.00 0.00 177.39 176.93 2dhb h ALA 110 N 0.00 0.96 -0.10 -1.18 0.00 0.19 -2.42 119.26 116.70 2dhb h ALA 110 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 2dhb h ALA 110 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2dhb h ALA 110 CO 0.00 -0.49 -0.28 0.28 0.00 0.00 0.00 179.25 178.76 2dhb h VAL 111 N 0.02 1.40 0.00 0.00 2.07 -1.62 -1.58 116.25 116.54 2dhb h VAL 111 Ca 0.54 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.44 2dhb h VAL 111 Cb 1.01 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2dhb h VAL 111 CO -0.92 0.47 -0.54 1.41 0.02 0.00 0.00 177.57 178.01 2dhb n HIS 112 N -4.45 0.21 -2.60 1.57 -0.00 -1.23 -4.71 115.22 104.02 2dhb n HIS 112 Ca -0.08 0.06 -0.15 0.00 -0.00 0.00 0.00 57.72 57.56 2dhb n HIS 112 Cb 0.47 -0.42 0.02 0.00 -0.00 0.00 0.00 29.99 30.06 2dhb n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2dhb n LEU 113 N -1.74 2.58 -0.08 2.41 4.77 -0.77 -4.99 117.00 119.18 2dhb n LEU 113 Ca 0.05 -4.22 -0.06 0.00 -0.03 0.00 0.00 56.01 51.75 2dhb n LEU 113 Cb 0.38 0.12 0.13 0.00 -2.33 0.00 0.00 43.42 41.72 2dhb n LEU 113 CO 0.35 1.79 0.77 -0.65 -1.33 0.00 0.00 177.39 178.32 2dhb h PRO 114 N 2.85 0.73 -0.09 3.23 0.11 -1.58 -0.50 132.00 136.76 2dhb h PRO 114 Ca 0.04 -0.25 -0.20 0.00 0.11 0.00 0.00 66.00 65.70 2dhb h PRO 114 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2dhb h PRO 114 CO 0.62 0.84 -0.77 -0.97 -0.21 0.00 0.00 178.00 177.51 2dhb h ASN 115 N 0.66 0.60 0.00 -2.05 -0.73 -1.94 -3.37 115.58 108.75 2dhb h ASN 115 Ca 0.11 -0.40 0.00 0.00 1.87 0.00 0.00 56.30 57.88 2dhb h ASN 115 Cb 0.62 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.03 2dhb h ASN 115 CO 0.04 1.16 -1.61 0.47 -0.37 0.00 0.00 177.43 177.13 2dhb n ASP 116 N -3.85 1.47 -4.07 1.15 9.92 -1.05 -4.37 116.55 115.75 2dhb n ASP 116 Ca -0.05 -0.07 -0.43 0.00 -0.53 0.00 0.00 54.79 53.70 2dhb n ASP 116 Cb 0.73 1.63 0.00 0.00 -0.64 0.00 0.00 41.12 42.85 2dhb n ASP 116 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 2dhb n PHE 117 N -1.97 3.56 -0.21 1.24 7.35 -0.22 -4.90 117.46 122.31 2dhb n PHE 117 Ca -0.02 -2.98 0.00 0.00 -0.76 0.00 0.00 57.45 53.68 2dhb n PHE 117 Cb 0.38 -1.94 0.00 0.00 0.35 0.00 0.00 39.48 38.27 2dhb n PHE 117 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 2dhb n THR 118 N 3.47 0.00 -0.01 -2.13 -2.24 -1.26 -4.84 114.28 107.27 2dhb n THR 118 Ca 0.37 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.19 2dhb n THR 118 Cb 0.38 -0.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 2dhb n THR 118 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2dhb n PRO 119 N -0.95 0.59 0.07 -0.78 -0.04 -1.26 -4.07 135.00 128.56 2dhb n PRO 119 Ca 0.00 -0.10 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2dhb n PRO 119 Cb 0.00 -1.28 0.26 0.00 -0.04 0.00 0.00 33.50 32.43 2dhb n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dhb n ALA 120 N -1.97 1.01 -0.12 0.55 0.00 -1.26 -2.93 120.51 115.79 2dhb n ALA 120 Ca -0.04 0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 2dhb n ALA 120 Cb 0.38 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 2dhb n ALA 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dhb n VAL 121 N -1.83 1.33 0.05 0.00 0.31 -1.26 -3.18 118.33 113.75 2dhb n VAL 121 Ca -0.01 -0.33 0.03 0.00 -0.01 0.00 0.00 64.34 64.03 2dhb n VAL 121 Cb 0.02 -1.84 0.16 0.00 -0.91 0.00 0.00 33.84 31.28 2dhb n VAL 121 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2dhb n HIS 122 N -4.09 0.20 -0.07 3.52 -0.00 -1.21 -0.63 115.22 112.95 2dhb n HIS 122 Ca -0.47 0.11 -0.03 0.00 -0.00 0.00 0.00 57.72 57.33 2dhb n HIS 122 Cb 0.83 -0.61 -0.16 0.00 -0.00 0.00 0.00 29.99 30.05 2dhb n HIS 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2dhb n ALA 123 N -1.53 1.92 -0.04 1.57 0.00 -1.15 -2.77 120.51 118.51 2dhb n ALA 123 Ca -0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 53.44 52.28 2dhb n ALA 123 Cb 0.08 -0.34 -0.14 0.00 0.00 0.00 0.00 19.45 19.04 2dhb n ALA 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2dhb n SER 124 N -2.57 0.94 0.19 0.00 7.64 -0.52 -3.17 113.62 116.13 2dhb n SER 124 Ca -0.23 0.27 0.04 0.00 1.01 0.00 0.00 58.87 59.97 2dhb n SER 124 Cb 0.95 0.01 0.39 0.00 -1.01 0.00 0.00 64.21 64.55 2dhb n SER 124 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dhb h LEU 125 N 0.01 0.00 0.00 -3.43 3.38 -1.05 -0.64 115.31 113.59 2dhb h LEU 125 Ca -0.38 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 2dhb h LEU 125 Cb 2.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.80 2dhb h LEU 125 CO 0.06 0.36 -0.72 -0.78 0.09 0.00 0.00 178.44 177.46 2dhb h ASP 126 N 0.00 0.00 0.20 -0.43 3.58 -1.62 -2.77 116.42 115.38 2dhb h ASP 126 Ca -0.00 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 2dhb h ASP 126 Cb 0.73 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.81 2dhb h ASP 126 CO 0.05 0.33 -1.19 0.11 -2.88 0.00 0.00 179.24 175.66 2dhb h LYS 127 N 0.00 0.42 -0.20 0.28 1.57 -1.36 -2.60 116.57 114.69 2dhb h LYS 127 Ca -0.04 -0.72 -0.02 0.00 -1.87 0.00 0.00 60.65 57.99 2dhb h LYS 127 Cb 1.29 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2dhb h LYS 127 CO 0.04 1.35 0.04 0.35 -0.57 0.00 0.00 179.45 180.65 2dhb h PHE 128 N -0.10 0.35 0.00 -1.35 3.57 -1.25 -0.88 116.94 117.28 2dhb h PHE 128 Ca -0.21 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2dhb h PHE 128 Cb 1.92 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.57 2dhb h PHE 128 CO 0.16 0.46 0.00 -0.07 -2.23 0.00 0.00 178.31 176.63 2dhb h LEU 129 N 0.13 0.00 0.05 0.59 3.38 -1.51 -0.93 115.31 117.02 2dhb h LEU 129 Ca 0.06 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.66 2dhb h LEU 129 Cb 0.30 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2dhb h LEU 129 CO 0.00 0.00 -2.15 -0.24 0.09 0.00 0.00 178.44 176.14 2dhb n SER 130 N -2.49 2.02 0.02 -0.43 2.88 -0.93 -3.11 113.62 111.59 2dhb n SER 130 Ca 0.02 0.12 -0.12 0.00 -1.33 0.00 0.00 58.87 57.56 2dhb n SER 130 Cb 0.25 -0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 62.94 2dhb n SER 130 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2dhb h SER 131 N -0.21 0.04 -0.43 -3.46 0.02 -0.35 0.35 113.55 109.51 2dhb h SER 131 Ca -0.51 -0.00 0.09 0.00 -0.84 0.00 0.00 61.79 60.53 2dhb h SER 131 Cb 1.85 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 64.29 2dhb h SER 131 CO -0.07 0.03 -0.16 0.58 -1.14 0.00 0.00 176.83 176.07 2dhb h VAL 132 N 0.05 0.48 -0.25 2.27 2.07 -1.39 0.33 116.25 119.80 2dhb h VAL 132 Ca 0.01 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2dhb h VAL 132 Cb -0.00 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 2dhb h VAL 132 CO -0.00 0.00 -0.22 0.28 0.02 0.00 0.00 177.57 177.65 2dhb h SER 133 N -0.06 -0.70 -0.25 0.57 0.02 -1.34 -0.85 113.55 110.94 2dhb h SER 133 Ca 0.21 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.20 2dhb h SER 133 Cb 0.38 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2dhb h SER 133 CO -0.48 -0.25 -0.15 0.74 -1.14 0.00 0.00 176.83 175.55 2dhb h THR 134 N -0.22 1.26 0.42 -2.27 2.02 0.33 -1.71 112.91 112.74 2dhb h THR 134 Ca 0.14 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 2dhb h THR 134 Cb 0.43 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 2dhb h THR 134 CO -0.38 0.39 -0.20 0.58 0.37 0.00 0.00 175.52 176.29 2dhb h VAL 135 N 0.61 0.00 -0.93 3.16 2.07 0.37 -1.97 116.25 119.57 2dhb h VAL 135 Ca 0.10 -0.32 0.27 0.00 0.82 0.00 0.00 66.70 67.58 2dhb h VAL 135 Cb 0.60 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.21 2dhb h VAL 135 CO 0.04 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.83 2dhb h LEU 136 N -0.88 0.00 -1.25 2.57 3.38 -0.91 0.50 115.31 118.73 2dhb h LEU 136 Ca -0.06 0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2dhb h LEU 136 Cb 0.43 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2dhb h LEU 136 CO 0.09 -0.22 -0.18 0.71 0.09 0.00 0.00 178.44 178.93 2dhb h THR 137 N 0.16 0.47 -0.47 0.22 1.35 -1.36 -3.39 112.91 109.88 2dhb h THR 137 Ca 0.61 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2dhb h THR 137 Cb 1.32 1.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.39 2dhb h THR 137 CO -0.71 0.18 0.31 0.77 -0.25 0.00 0.00 175.52 175.81 2dhb h SER 138 N 0.00 0.55 -0.23 5.36 4.64 0.83 -3.37 113.55 121.32 2dhb h SER 138 Ca -0.00 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.12 2dhb h SER 138 Cb 0.67 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.55 2dhb h SER 138 CO 0.02 0.41 0.07 0.29 -0.87 0.00 0.00 176.83 176.75 2dhb n LYS 139 N -4.75 1.55 -0.13 4.77 5.02 -1.26 -4.45 118.16 118.91 2dhb n LYS 139 Ca 0.02 -0.85 -0.27 0.00 -2.02 0.00 0.00 58.31 55.19 2dhb n LYS 139 Cb 0.03 -1.48 -0.09 0.00 -0.02 0.00 0.00 35.03 33.47 2dhb n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2dhb n TYR 140 N 1.33 0.00 -1.26 2.13 0.53 -1.26 -4.83 117.16 113.80 2dhb n TYR 140 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 2dhb n TYR 140 Cb 0.61 -0.90 0.00 0.00 -1.03 0.00 0.00 39.34 38.01 2dhb n TYR 140 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73