#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oka s LYS 5 N 0.00 3.61 0.25 0.00 1.02 -1.26 -5.02 119.74 118.35 2oka s LYS 5 Ca 0.00 0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.95 2oka s LYS 5 Cb 0.00 -2.39 -0.14 0.00 -0.52 0.00 0.00 37.83 34.78 2oka s LYS 5 CO 0.00 -0.14 1.28 -2.30 -0.92 0.00 0.00 175.35 173.27 2oka n PRO 6 N -1.91 1.78 -4.30 -1.68 -0.02 -1.26 -4.05 135.00 123.56 2oka n PRO 6 Ca 0.01 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.78 2oka n PRO 6 Cb 0.55 -2.20 -0.12 0.00 -0.02 0.00 0.00 33.50 31.71 2oka n PRO 6 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2oka s GLU 7 N -0.82 3.71 -0.15 -0.52 2.12 -1.26 -0.81 118.70 120.96 2oka s GLU 7 Ca 0.65 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 55.43 2oka s GLU 7 Cb -0.68 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 30.69 2oka s GLU 7 CO 0.54 0.22 0.06 0.42 -0.54 0.00 0.00 175.26 175.96 2oka s ILE 8 N 0.44 4.80 -0.11 -3.70 -1.09 -0.51 -0.48 121.20 120.55 2oka s ILE 8 Ca -0.02 -0.04 0.02 0.00 -2.23 0.00 0.00 60.65 58.37 2oka s ILE 8 Cb -0.14 -3.12 0.01 0.00 -1.58 0.00 0.00 42.46 37.63 2oka s ILE 8 CO 0.02 0.51 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.40 2oka s VAL 9 N -0.08 1.55 -0.31 2.92 1.01 -0.28 0.09 120.40 125.29 2oka s VAL 9 Ca 0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 2oka s VAL 9 Cb -0.12 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.90 2oka s VAL 9 CO 0.01 0.45 0.03 -0.63 0.00 0.00 0.00 175.10 174.97 2oka s ILE 10 N 0.98 3.22 -0.28 2.22 1.01 0.76 -1.09 121.20 128.03 2oka s ILE 10 Ca -0.06 -1.33 -0.13 0.00 0.00 0.00 0.00 60.65 59.13 2oka s ILE 10 Cb -0.15 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2oka s ILE 10 CO -0.02 -0.14 0.26 -0.89 0.00 0.00 0.00 174.94 174.15 2oka s THR 11 N 1.29 5.26 0.08 2.92 2.01 0.20 -0.03 115.64 127.37 2oka s THR 11 Ca -0.04 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.35 2oka s THR 11 Cb -0.20 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2oka s THR 11 CO -0.00 0.21 -0.16 -0.72 -0.69 0.00 0.00 174.62 173.26 2oka s TYR 12 N 1.88 1.38 -0.23 4.92 1.13 -0.77 -1.33 117.35 124.34 2oka s TYR 12 Ca 0.10 -0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 55.03 2oka s TYR 12 Cb -0.16 -0.77 -0.01 0.00 -1.10 0.00 0.00 41.96 39.92 2oka s TYR 12 CO 0.11 0.10 1.37 0.00 -2.51 0.00 0.00 175.55 174.61 2oka h THR 14 N 5.83 1.32 0.00 0.00 1.35 -1.74 -3.03 112.91 116.63 2oka h THR 14 Ca -0.28 -1.50 -0.03 0.00 -0.55 0.00 0.00 66.41 64.04 2oka h THR 14 Cb 1.11 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 69.25 2oka h THR 14 CO 1.00 0.47 -0.16 1.56 -0.25 0.00 0.00 175.52 178.14 2oka h GLN 15 N 0.34 0.00 0.00 4.72 1.08 -1.92 -1.58 115.11 117.76 2oka h GLN 15 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2oka h GLN 15 Cb 0.89 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2oka h GLN 15 CO 0.07 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.12 2oka n GLN 17 N -1.22 -5.33 -0.32 0.00 1.13 -0.59 -4.92 117.38 106.12 2oka n GLN 17 Ca 0.12 0.60 0.11 0.00 -1.94 0.00 0.00 57.00 55.88 2oka n GLN 17 Cb 0.15 -4.91 0.29 0.00 0.11 0.00 0.00 30.24 25.88 2oka n GLN 17 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 2oka n TRP 18 N -4.26 0.84 -0.12 1.08 8.01 -1.15 -4.33 117.44 117.50 2oka n TRP 18 Ca -0.01 -0.42 -0.08 0.00 -1.31 0.00 0.00 57.50 55.69 2oka n TRP 18 Cb 0.55 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.85 2oka n TRP 18 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 2oka h LEU 19 N 3.86 0.40 0.08 -0.99 5.85 -1.88 -1.59 115.31 121.04 2oka h LEU 19 Ca 0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2oka h LEU 19 Cb 0.88 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 2oka h LEU 19 CO 0.00 0.29 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.87 2oka h LEU 20 N 0.49 -1.35 -1.41 2.25 4.07 -1.99 0.13 115.31 117.50 2oka h LEU 20 Ca 0.15 0.15 -0.06 0.00 0.08 0.00 0.00 57.88 58.20 2oka h LEU 20 Cb -0.03 0.51 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 2oka h LEU 20 CO -0.05 -0.50 -0.30 0.08 -1.08 0.00 0.00 178.44 176.59 2oka h ARG 21 N -0.66 0.00 -0.35 1.13 0.11 -1.83 -0.75 114.38 112.03 2oka h ARG 21 Ca 0.02 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.01 2oka h ARG 21 Cb 0.70 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 2oka h ARG 21 CO -0.28 0.30 -0.16 0.00 0.10 0.00 0.00 179.97 179.92 2oka h ALA 22 N 1.70 0.49 -0.05 0.08 0.00 -0.56 -1.56 119.26 119.36 2oka h ALA 22 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2oka h ALA 22 Cb 0.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2oka h ALA 22 CO 0.04 0.41 -0.52 0.00 0.00 0.00 0.00 179.25 179.18 2oka h ALA 23 N 0.79 1.03 0.11 0.00 0.00 -0.50 -1.27 119.26 119.41 2oka h ALA 23 Ca 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2oka h ALA 23 Cb 0.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2oka h ALA 23 CO 0.05 0.66 -0.05 2.35 0.00 0.00 0.00 179.25 182.26 2oka h TRP 24 N 0.12 -0.14 -0.58 0.00 7.01 -0.95 -1.66 115.95 119.73 2oka h TRP 24 Ca 0.00 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 2oka h TRP 24 Cb 0.96 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 28.03 2oka h TRP 24 CO 0.01 0.10 0.27 -0.07 -2.79 0.00 0.00 178.44 175.96 2oka h LEU 25 N -0.37 0.75 -0.58 0.65 3.38 -1.18 -0.39 115.31 117.57 2oka h LEU 25 Ca -0.02 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2oka h LEU 25 Cb 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2oka h LEU 25 CO 0.03 0.65 0.31 0.00 0.09 0.00 0.00 178.44 179.51 2oka h ALA 26 N 1.47 0.74 -0.31 1.53 0.00 -1.08 -1.13 119.26 120.47 2oka h ALA 26 Ca 0.20 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2oka h ALA 26 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2oka h ALA 26 CO -0.03 0.27 -0.31 1.96 0.00 0.00 0.00 179.25 181.14 2oka h GLN 27 N 0.78 0.67 -0.64 0.00 4.20 -0.76 0.32 115.11 119.68 2oka h GLN 27 Ca 0.20 -0.30 0.03 0.00 0.06 0.00 0.00 58.65 58.64 2oka h GLN 27 Cb 0.06 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2oka h GLN 27 CO -0.03 0.89 0.40 0.93 -0.67 0.00 0.00 178.83 180.35 2oka h GLU 28 N 0.57 0.76 -0.12 1.46 4.39 -0.68 -1.36 114.58 119.59 2oka h GLU 28 Ca 0.07 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.68 2oka h GLU 28 Cb 0.81 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2oka h GLU 28 CO 0.07 0.50 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.26 2oka h LEU 29 N 0.78 0.29 -1.95 1.33 3.38 -0.89 -3.03 115.31 115.22 2oka h LEU 29 Ca 0.25 -0.45 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2oka h LEU 29 Cb 0.01 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2oka h LEU 29 CO -0.10 0.68 -0.07 -0.07 0.09 0.00 0.00 178.44 178.97 2oka h LEU 30 N -0.10 0.00 0.00 1.67 3.38 -0.77 -0.65 115.31 118.84 2oka h LEU 30 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2oka h LEU 30 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2oka h LEU 30 CO 0.02 0.07 -0.98 0.77 0.09 0.00 0.00 178.44 178.41 2oka h SER 31 N 0.00 0.00 0.05 -0.43 4.64 -1.26 -2.73 113.55 113.82 2oka h SER 31 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oka h SER 31 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2oka h SER 31 CO 0.01 0.27 -1.94 0.35 -0.87 0.00 0.00 176.83 174.65 2oka n THR 32 N -2.86 0.03 -1.86 2.95 -2.24 -1.04 -4.45 114.28 104.81 2oka n THR 32 Ca -0.03 -0.50 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 2oka n THR 32 Cb 0.67 -0.01 0.14 0.00 -2.10 0.00 0.00 70.33 69.03 2oka n THR 32 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2oka n PHE 33 N -2.27 0.64 -0.32 4.78 3.72 -0.28 -4.87 117.46 118.85 2oka n PHE 33 Ca -0.04 -1.55 0.16 0.00 -0.05 0.00 0.00 57.45 55.97 2oka n PHE 33 Cb 0.57 -0.26 0.35 0.00 -0.94 0.00 0.00 39.48 39.20 2oka n PHE 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oka h ALA 34 N 1.33 1.61 0.00 4.37 0.00 -1.68 -1.91 119.26 122.98 2oka h ALA 34 Ca 0.04 0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 2oka h ALA 34 Cb 1.25 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 2oka h ALA 34 CO 0.18 -0.33 -0.93 -0.44 0.00 0.00 0.00 179.25 177.74 2oka h ASP 35 N 0.47 0.00 0.13 0.00 3.32 -1.89 -3.36 116.42 115.08 2oka h ASP 35 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 2oka h ASP 35 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2oka h ASP 35 CO -0.51 0.65 -0.43 0.47 -1.72 0.00 0.00 179.24 177.70 2oka n ASP 36 N -3.15 1.39 -4.58 6.45 8.00 -0.78 -4.93 116.55 118.96 2oka n ASP 36 Ca -0.03 -1.11 -0.34 0.00 0.71 0.00 0.00 54.79 54.03 2oka n ASP 36 Cb 0.82 0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 42.18 2oka n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2oka s LEU 37 N -2.58 3.39 -0.02 0.64 1.02 -0.82 -4.23 118.68 116.07 2oka s LEU 37 Ca 0.19 -0.01 -0.22 0.00 0.02 0.00 0.00 54.13 54.11 2oka s LEU 37 Cb 0.18 -1.80 -0.15 0.00 0.02 0.00 0.00 46.19 44.45 2oka s LEU 37 CO 0.59 0.26 0.99 1.23 0.02 0.00 0.00 176.35 179.44 2oka h GLY 38 N 6.04 -0.39 -4.83 -3.19 0.00 -1.12 -3.47 103.07 96.11 2oka h GLY 38 Ca -0.40 0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.19 2oka h GLY 38 CO 0.60 -0.14 0.64 -1.59 0.00 0.00 0.00 176.54 176.04 2oka s LYS 39 N -3.95 0.43 -0.20 4.80 -2.85 -1.23 -5.00 119.74 111.74 2oka s LYS 39 Ca -0.13 0.19 -0.05 0.00 -1.00 0.00 0.00 55.97 54.99 2oka s LYS 39 Cb 0.01 0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 35.96 2oka s LYS 39 CO 0.47 -0.12 -0.01 0.08 0.10 0.00 0.00 175.35 175.87 2oka s VAL 40 N -0.76 3.84 -0.03 1.79 1.01 -1.26 -1.42 120.40 123.57 2oka s VAL 40 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.67 2oka s VAL 40 Cb -0.02 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2oka s VAL 40 CO -0.03 0.43 -0.07 0.00 0.00 0.00 0.00 175.10 175.43 2oka s LEU 42 N -1.14 3.46 -0.26 0.00 1.43 -1.26 -0.17 118.68 120.74 2oka s LEU 42 Ca 0.15 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2oka s LEU 42 Cb -0.11 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.26 2oka s LEU 42 CO 0.05 0.01 -0.11 -0.70 0.23 0.00 0.00 176.35 175.83 2oka s GLU 43 N 1.33 2.22 0.11 1.70 2.12 0.96 -4.95 118.70 122.20 2oka s GLU 43 Ca 0.05 -1.32 -0.34 0.00 0.36 0.00 0.00 54.97 53.72 2oka s GLU 43 Cb -0.15 -2.87 -0.13 0.00 0.26 0.00 0.00 34.13 31.25 2oka s GLU 43 CO 0.03 -0.56 1.67 -0.35 -0.54 0.00 0.00 175.26 175.50 2oka n PRO 44 N 4.45 2.25 -2.36 4.30 -0.04 -1.26 -1.85 135.00 140.49 2oka n PRO 44 Ca -0.14 0.82 -0.04 0.00 -0.04 0.00 0.00 63.50 64.10 2oka n PRO 44 Cb 0.42 -2.61 -0.01 0.00 -0.04 0.00 0.00 33.50 31.26 2oka n PRO 44 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oka n GLY 45 N 3.70 4.00 3.44 0.55 0.00 0.37 -4.82 105.19 112.43 2oka n GLY 45 Ca 0.18 -1.99 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 2oka n GLY 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oka s THR 46 N -1.68 0.90 -0.65 2.61 -4.23 -1.26 -1.92 115.64 109.40 2oka s THR 46 Ca 0.03 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.46 2oka s THR 46 Cb 0.00 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.20 2oka s THR 46 CO 0.02 0.00 0.54 0.61 -0.54 0.00 0.00 174.62 175.24 2oka n GLY 47 N -0.69 -0.86 2.87 3.99 0.00 -1.26 -2.37 105.19 106.87 2oka n GLY 47 Ca -0.03 0.64 -0.05 0.00 0.00 0.00 0.00 46.02 46.59 2oka n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oka n GLY 48 N -1.21 0.48 3.71 -0.02 0.00 -1.26 -4.94 105.19 101.96 2oka n GLY 48 Ca -0.24 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 2oka n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oka s VAL 49 N -1.45 3.87 -0.36 1.61 1.01 -1.00 -4.89 120.40 119.19 2oka s VAL 49 Ca 0.00 1.34 0.03 0.00 0.00 0.00 0.00 61.98 63.35 2oka s VAL 49 Cb 0.00 -3.86 0.16 0.00 0.00 0.00 0.00 36.38 32.67 2oka s VAL 49 CO 0.00 0.10 0.39 0.12 0.00 0.00 0.00 175.10 175.71 2oka s PHE 50 N 1.09 -0.48 0.02 5.22 5.36 -1.24 -0.91 117.98 127.05 2oka s PHE 50 Ca 0.60 -0.59 0.06 0.00 -0.96 0.00 0.00 56.93 56.04 2oka s PHE 50 Cb -0.31 -0.34 -0.02 0.00 -0.34 0.00 0.00 43.02 42.01 2oka s PHE 50 CO 0.29 -0.98 -0.19 0.50 -1.46 0.00 0.00 175.22 173.38 2oka s ARG 51 N 1.63 1.36 -0.08 10.12 3.52 -0.44 -1.81 118.95 133.26 2oka s ARG 51 Ca 0.16 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2oka s ARG 51 Cb -0.14 -1.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.85 2oka s ARG 51 CO -0.08 0.37 -0.11 0.42 -0.81 0.00 0.00 175.30 175.08 2oka s ILE 52 N -0.69 1.13 0.14 4.11 1.01 0.16 -0.63 121.20 126.42 2oka s ILE 52 Ca 0.07 -0.44 0.10 0.00 0.00 0.00 0.00 60.65 60.38 2oka s ILE 52 Cb -0.08 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2oka s ILE 52 CO 0.01 0.36 -0.25 0.42 0.00 0.00 0.00 174.94 175.48 2oka s THR 53 N 0.96 2.15 -0.23 2.92 -4.23 -0.25 0.12 115.64 117.09 2oka s THR 53 Ca -0.09 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2oka s THR 53 Cb -0.15 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 71.82 2oka s THR 53 CO 0.00 0.01 -0.08 0.00 -0.54 0.00 0.00 174.62 174.01 2oka n ASP 55 N 4.62 -3.72 0.00 0.00 8.00 0.37 -1.12 116.55 124.70 2oka n ASP 55 Ca -0.13 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.51 2oka n ASP 55 Cb 0.44 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 37.97 2oka n ASP 55 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oka n GLY 56 N -1.64 3.13 3.66 0.44 0.00 -1.26 -5.01 105.19 104.51 2oka n GLY 56 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2oka n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oka s VAL 57 N -1.72 4.89 0.12 1.61 1.01 -0.27 -4.97 120.40 121.07 2oka s VAL 57 Ca 0.00 1.56 -0.32 0.00 0.00 0.00 0.00 61.98 63.22 2oka s VAL 57 Cb 0.00 -4.11 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2oka s VAL 57 CO 0.00 0.01 1.82 1.67 0.00 0.00 0.00 175.10 178.61 2oka n GLN 58 N 5.40 2.75 -0.00 2.72 7.27 -1.26 -0.09 117.38 134.16 2oka n GLN 58 Ca 0.04 1.00 0.05 0.00 0.07 0.00 0.00 57.00 58.15 2oka n GLN 58 Cb 0.49 -2.88 -0.06 0.00 2.41 0.00 0.00 30.24 30.19 2oka n GLN 58 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 2oka n VAL 59 N 4.62 0.00 -3.64 1.69 0.31 0.32 -4.89 118.33 116.74 2oka n VAL 59 Ca 0.18 -0.27 -0.04 0.00 -0.01 0.00 0.00 64.34 64.20 2oka n VAL 59 Cb 0.37 0.92 -0.07 0.00 -0.91 0.00 0.00 33.84 34.15 2oka n VAL 59 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2oka s TRP 60 N -2.00 -0.27 -0.02 3.52 -0.11 -0.90 -4.94 118.94 114.23 2oka s TRP 60 Ca 0.03 0.61 -0.09 0.00 1.22 0.00 0.00 56.10 57.87 2oka s TRP 60 Cb 0.07 0.36 0.01 0.00 -1.50 0.00 0.00 33.47 32.42 2oka s TRP 60 CO 0.40 -0.13 0.19 -1.83 -4.62 0.00 0.00 176.95 170.97 2oka s GLU 61 N 0.42 0.48 0.11 5.86 4.04 -1.26 0.35 118.70 128.71 2oka s GLU 61 Ca 0.02 -0.21 -0.32 0.00 0.04 0.00 0.00 54.97 54.50 2oka s GLU 61 Cb -0.04 0.21 -0.12 0.00 0.02 0.00 0.00 34.13 34.20 2oka s GLU 61 CO -0.12 -0.11 1.58 -0.09 -1.84 0.00 0.00 175.26 174.68 2oka h ARG 62 N 4.49 -0.69 0.86 -4.83 2.43 -1.54 -1.02 114.38 114.06 2oka h ARG 62 Ca -0.29 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 58.88 2oka h ARG 62 Cb 1.19 0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2oka h ARG 62 CO 0.40 -0.46 -0.41 0.87 -1.51 0.00 0.00 179.97 178.85 2oka h LYS 63 N -0.72 -1.11 -0.51 0.20 1.57 -1.89 0.68 116.57 114.80 2oka h LYS 63 Ca 0.00 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 2oka h LYS 63 Cb 0.71 0.25 -0.10 0.00 0.08 0.00 0.00 32.23 33.18 2oka h LYS 63 CO -0.20 -0.73 -0.47 0.00 -0.57 0.00 0.00 179.45 177.48 2oka h ALA 64 N -1.12 -0.47 -0.00 3.86 0.00 -1.98 -2.40 119.26 117.15 2oka h ALA 64 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2oka h ALA 64 Cb 0.89 1.00 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2oka h ALA 64 CO 0.19 -0.90 -0.10 -0.25 0.00 0.00 0.00 179.25 178.20 2oka n ASP 65 N -5.40 0.57 -2.79 0.00 8.00 -0.39 -4.98 116.55 111.56 2oka n ASP 65 Ca -0.00 -0.72 -0.06 0.00 0.71 0.00 0.00 54.79 54.72 2oka n ASP 65 Cb 0.35 -0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.43 2oka n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oka n GLY 66 N 1.25 -0.87 0.00 0.44 0.00 0.22 -4.86 105.19 101.37 2oka n GLY 66 Ca 0.15 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2oka n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oka n GLY 67 N -1.44 0.24 3.29 -0.02 0.00 -0.01 -5.02 105.19 102.22 2oka n GLY 67 Ca -0.03 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 2oka n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2oka s PHE 68 N 0.00 2.07 0.54 1.61 0.08 -1.26 -4.30 117.98 116.72 2oka s PHE 68 Ca 0.00 -0.39 -0.21 0.00 0.12 0.00 0.00 56.93 56.45 2oka s PHE 68 Cb 0.00 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 2oka s PHE 68 CO 0.00 0.07 1.26 -1.25 -0.10 0.00 0.00 175.22 175.20 2oka s PRO 69 N -1.03 3.22 0.47 0.24 0.04 -1.26 -5.04 135.00 131.64 2oka s PRO 69 Ca 0.09 1.98 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 2oka s PRO 69 Cb -0.09 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2oka s PRO 69 CO 0.01 -1.05 0.84 -1.21 0.04 0.00 0.00 177.00 175.63 2oka s GLU 70 N -3.01 3.70 0.14 4.56 0.41 -1.26 -4.93 118.70 118.30 2oka s GLU 70 Ca 0.72 0.48 -0.18 0.00 -0.41 0.00 0.00 54.97 55.58 2oka s GLU 70 Cb -0.34 -2.31 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 2oka s GLU 70 CO 0.39 -0.19 1.79 0.00 -0.49 0.00 0.00 175.26 176.76 2oka h ALA 71 N 0.67 0.36 -0.64 5.21 0.00 -1.99 -1.76 119.26 121.11 2oka h ALA 71 Ca -0.47 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.45 2oka h ALA 71 Cb 1.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2oka h ALA 71 CO 0.63 -0.18 0.40 -0.22 0.00 0.00 0.00 179.25 179.88 2oka h LYS 72 N 0.38 0.76 -0.39 0.00 3.64 -1.99 -0.60 116.57 118.38 2oka h LYS 72 Ca 0.10 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2oka h LYS 72 Cb -0.04 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 2oka h LYS 72 CO -0.02 0.50 0.17 0.00 -2.27 0.00 0.00 179.45 177.82 2oka h ALA 73 N 1.27 0.50 -0.51 5.00 0.00 -1.88 -1.41 119.26 122.23 2oka h ALA 73 Ca 0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2oka h ALA 73 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2oka h ALA 73 CO -0.10 0.09 -0.06 1.25 0.00 0.00 0.00 179.25 180.43 2oka h LEU 74 N 0.48 0.89 -0.74 0.00 5.85 -1.05 -2.13 115.31 118.61 2oka h LEU 74 Ca 0.13 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2oka h LEU 74 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2oka h LEU 74 CO -0.01 0.98 -0.03 0.11 -0.34 0.00 0.00 178.44 179.15 2oka h LYS 75 N 0.83 0.93 -0.57 1.25 1.57 -0.96 -1.93 116.57 117.69 2oka h LYS 75 Ca 0.14 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2oka h LYS 75 Cb 0.57 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2oka h LYS 75 CO 0.03 0.94 0.27 1.96 -0.57 0.00 0.00 179.45 182.09 2oka h GLN 76 N 0.85 0.82 -0.32 3.15 4.20 -1.00 0.24 115.11 123.06 2oka h GLN 76 Ca 0.15 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 2oka h GLN 76 Cb 0.55 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2oka h GLN 76 CO 0.03 0.67 -0.12 0.00 -0.67 0.00 0.00 178.83 178.74 2oka h ARG 77 N 0.78 0.55 0.00 1.46 3.08 -1.12 -0.79 114.38 118.34 2oka h ARG 77 Ca 0.20 -0.16 -0.24 0.00 0.07 0.00 0.00 59.98 59.84 2oka h ARG 77 Cb 0.12 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.13 2oka h ARG 77 CO -0.02 0.67 -0.93 0.28 -1.07 0.00 0.00 179.97 178.89 2oka h VAL 78 N 0.51 1.32 0.06 2.04 2.07 -1.04 -3.18 116.25 118.02 2oka h VAL 78 Ca 0.09 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.42 2oka h VAL 78 Cb 0.52 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 2oka h VAL 78 CO 0.03 0.67 -0.50 -0.09 0.02 0.00 0.00 177.57 177.70 2oka h ARG 79 N 0.26 -0.65 -0.90 1.57 2.43 -0.27 0.10 114.38 116.92 2oka h ARG 79 Ca -0.12 0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.34 2oka h ARG 79 Cb 1.60 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 31.25 2oka h ARG 79 CO 0.18 -0.44 0.63 -0.44 -1.51 0.00 0.00 179.97 178.40 2oka h ASP 80 N -0.68 0.14 0.52 -3.80 3.32 -1.19 0.27 116.42 114.99 2oka h ASP 80 Ca 0.00 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.87 2oka h ASP 80 Cb 0.70 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.21 2oka h ASP 80 CO -0.30 0.05 -1.64 0.54 -1.72 0.00 0.00 179.24 176.17 2oka n ARG 81 N -4.36 0.63 -0.09 3.56 1.74 -0.85 -3.85 116.66 113.45 2oka n ARG 81 Ca 0.19 0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 57.36 2oka n ARG 81 Cb 0.88 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 30.43 2oka n ARG 81 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2oka n ILE 82 N -2.84 1.19 -2.81 0.55 -0.00 0.30 -4.79 119.36 110.96 2oka n ILE 82 Ca -0.14 -0.77 -0.09 0.00 -0.00 0.00 0.00 62.75 61.76 2oka n ILE 82 Cb 0.89 -0.46 0.02 0.00 -0.00 0.00 0.00 39.64 40.10 2oka n ILE 82 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2oka n ASP 83 N -2.66 -2.76 -0.28 4.38 -0.08 0.83 -5.04 116.55 110.93 2oka n ASP 83 Ca -0.29 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 2oka n ASP 83 Cb 1.07 1.55 0.04 0.00 2.34 0.00 0.00 41.12 46.12 2oka n ASP 83 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2oka n PRO 84 N 2.05 -0.16 -3.13 -0.67 -0.02 -1.11 -3.63 135.00 128.34 2oka n PRO 84 Ca 0.13 1.15 -0.44 0.00 -2.02 0.00 0.00 63.50 62.33 2oka n PRO 84 Cb 0.60 -1.71 -0.06 0.00 -0.02 0.00 0.00 33.50 32.30 2oka n PRO 84 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2oka s GLN 85 N -5.75 3.15 -0.30 -0.52 -2.07 -1.26 -4.69 119.66 108.22 2oka s GLN 85 Ca -0.10 -0.80 -0.21 0.00 -1.82 0.00 0.00 55.36 52.43 2oka s GLN 85 Cb 0.16 -4.08 0.21 0.00 -1.09 0.00 0.00 33.01 28.20 2oka s GLN 85 CO 0.54 -1.23 1.40 0.50 -1.32 0.00 0.00 175.29 175.18 2oka s ARG 86 N 2.76 0.02 0.00 9.60 3.00 -1.24 -5.15 118.95 127.94 2oka s ARG 86 Ca 0.17 0.02 0.26 0.00 -1.00 0.00 0.00 55.73 55.18 2oka s ARG 86 Cb -0.18 0.01 0.54 0.00 0.00 0.00 0.00 34.95 35.32 2oka s ARG 86 CO 0.13 -0.00 1.46 -0.25 0.00 0.00 0.00 175.30 176.64