#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doa s SER 2 N 0.00 0.57 0.00 1.61 0.01 -1.26 -4.93 113.70 109.70 2doa s SER 2 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 2doa s SER 2 Cb 0.00 0.98 0.00 0.00 0.21 0.00 0.00 66.02 67.21 2doa s SER 2 CO 0.00 -0.33 0.00 -1.20 0.41 0.00 0.00 173.24 172.12 2doa n SER 3 N 5.35 0.00 0.00 2.44 7.64 -1.26 -5.03 113.62 122.76 2doa n SER 3 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2doa n SER 3 Cb 0.49 0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2doa n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doa n GLY 4 N 0.70 0.00 3.56 0.23 0.00 -1.26 -5.03 105.19 103.39 2doa n GLY 4 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2doa n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doa s SER 5 N -4.19 6.49 0.13 1.61 0.01 -1.26 -4.95 113.70 111.53 2doa s SER 5 Ca 0.00 0.09 -0.19 0.00 1.31 0.00 0.00 55.95 57.15 2doa s SER 5 Cb 0.00 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.82 2doa s SER 5 CO 0.00 -1.16 0.92 -1.54 0.41 0.00 0.00 173.24 171.87 2doa n SER 6 N 7.46 -1.42 0.00 2.44 3.41 -1.26 -4.83 113.62 119.41 2doa n SER 6 Ca 0.07 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 2doa n SER 6 Cb 0.48 2.30 0.00 0.00 -0.26 0.00 0.00 64.21 66.74 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doa n GLY 7 N -0.65 -1.79 0.10 5.00 0.00 -1.26 -5.02 105.19 101.57 2doa n GLY 7 Ca -0.01 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.58 2doa n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2doa n VAL 8 N 0.00 1.24 -0.28 1.61 0.31 -1.26 -4.19 118.33 115.77 2doa n VAL 8 Ca 0.00 -0.62 -0.06 0.00 -0.01 0.00 0.00 64.34 63.65 2doa n VAL 8 Cb 0.00 -0.91 0.06 0.00 -0.91 0.00 0.00 33.84 32.08 2doa n VAL 8 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 2doa h SER 9 N 0.00 1.04 -0.51 4.52 4.64 -1.95 -2.66 113.55 118.63 2doa h SER 9 Ca -0.49 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 60.60 2doa h SER 9 Cb 1.93 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.73 2doa h SER 9 CO -0.03 0.92 0.07 1.56 -0.87 0.00 0.00 176.83 178.48 2doa h GLN 10 N 1.09 0.91 -7.19 4.77 4.20 -1.99 -3.44 115.11 113.46 2doa h GLN 10 Ca 0.25 -0.23 -0.53 0.00 0.06 0.00 0.00 58.65 58.21 2doa h GLN 10 Cb 0.20 -0.11 0.14 0.00 0.30 0.00 0.00 27.48 28.00 2doa h GLN 10 CO -0.02 0.86 0.38 1.03 -0.67 0.00 0.00 178.83 180.40 2doa s ARG 11 N -5.11 2.30 0.74 1.46 1.81 -1.00 -5.02 118.95 114.12 2doa s ARG 11 Ca -0.10 1.64 -0.12 0.00 -1.72 0.00 0.00 55.73 55.43 2doa s ARG 11 Cb 0.15 -1.86 0.19 0.00 -0.45 0.00 0.00 34.95 32.97 2doa s ARG 11 CO 0.82 -1.69 0.46 -0.35 -0.68 0.00 0.00 175.30 173.86 2doa n PRO 12 N -2.68 -3.29 -0.02 3.54 -0.04 -1.26 -4.93 135.00 126.32 2doa n PRO 12 Ca 0.12 -0.77 -0.09 0.00 -0.04 0.00 0.00 63.50 62.72 2doa n PRO 12 Cb 0.51 -0.95 -0.14 0.00 -0.04 0.00 0.00 33.50 32.87 2doa n PRO 12 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2doa n PHE 13 N -4.35 1.01 -0.12 0.54 7.35 -1.26 -3.73 117.46 116.90 2doa n PHE 13 Ca 0.07 0.36 -0.09 0.00 -0.76 0.00 0.00 57.45 57.02 2doa n PHE 13 Cb 0.31 -1.18 -0.01 0.00 0.35 0.00 0.00 39.48 38.94 2doa n PHE 13 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2doa h ARG 14 N 0.00 0.56 -0.57 -4.13 2.43 -1.99 -2.42 114.38 108.26 2doa h ARG 14 Ca -0.29 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 2doa h ARG 14 Cb 2.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 31.46 2doa h ARG 14 CO 0.08 0.56 0.12 -0.44 -1.51 0.00 0.00 179.97 178.78 2doa h ASP 15 N 0.44 0.83 -0.46 -3.80 5.19 -1.95 0.54 116.42 117.21 2doa h ASP 15 Ca 0.12 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2doa h ASP 15 Cb 0.22 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2doa h ASP 15 CO -0.01 0.82 0.28 0.03 -3.12 0.00 0.00 179.24 177.24 2doa h ARG 16 N 0.85 0.62 0.12 3.56 3.08 -1.59 0.29 114.38 121.30 2doa h ARG 16 Ca 0.18 -0.05 -0.27 0.00 0.07 0.00 0.00 59.98 59.90 2doa h ARG 16 Cb 0.33 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2doa h ARG 16 CO 0.00 0.45 -1.27 0.28 -1.07 0.00 0.00 179.97 178.37 2doa h VAL 17 N 0.61 1.47 -0.05 2.04 2.07 -1.22 -2.88 116.25 118.28 2doa h VAL 17 Ca 0.16 -3.05 -0.06 0.00 0.82 0.00 0.00 66.70 64.57 2doa h VAL 17 Cb -0.01 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 2doa h VAL 17 CO -0.03 0.89 -0.27 0.25 0.02 0.00 0.00 177.57 178.43 2doa h LEU 18 N 0.07 0.08 0.01 2.57 5.85 0.24 -2.19 115.31 121.94 2doa h LEU 18 Ca -0.14 -0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.32 2doa h LEU 18 Cb 1.97 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 2doa h LEU 18 CO 0.19 0.36 -1.20 0.45 -0.34 0.00 0.00 178.44 177.90 2doa h HIS 19 N 0.08 0.05 0.46 1.25 3.86 -1.00 -2.94 115.15 116.91 2doa h HIS 19 Ca 0.01 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2doa h HIS 19 Cb 0.52 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2doa h HIS 19 CO 0.00 1.03 -0.22 -0.07 0.86 0.00 0.00 177.93 179.54 2doa h LEU 20 N 0.01 -0.52 -1.75 2.43 3.38 -1.25 -3.16 115.31 114.44 2doa h LEU 20 Ca -0.09 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 2doa h LEU 20 Cb 1.85 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.73 2doa h LEU 20 CO 0.12 -0.13 -0.14 -0.07 0.09 0.00 0.00 178.44 178.31 2doa h LEU 21 N -1.00 0.00 -2.02 1.67 3.38 -1.56 -2.09 115.31 113.69 2doa h LEU 21 Ca -0.06 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 21 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2doa h LEU 21 CO 0.10 0.14 0.21 0.00 0.09 0.00 0.00 178.44 178.98 2doa h ALA 22 N 1.86 2.24 0.00 1.53 0.00 -1.48 -3.18 119.26 120.23 2doa h ALA 22 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2doa h ALA 22 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2doa h ALA 22 CO 0.02 -0.35 -0.00 -0.07 0.00 0.00 0.00 179.25 178.85 2doa h LEU 23 N 0.00 0.00 -7.91 0.00 3.38 -1.37 -3.47 115.31 105.93 2doa h LEU 23 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 23 Cb 0.54 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.13 2doa h LEU 23 CO -0.00 0.07 -0.48 0.00 0.09 0.00 0.00 178.44 178.11 2doa s ARG 24 N -1.08 0.69 -0.04 1.13 1.70 -1.20 -4.97 118.95 115.17 2doa s ARG 24 Ca -0.00 -0.89 -0.35 0.00 -0.47 0.00 0.00 55.73 54.02 2doa s ARG 24 Cb 0.00 0.27 -0.13 0.00 -0.57 0.00 0.00 34.95 34.52 2doa s ARG 24 CO 0.00 -0.19 1.74 -2.30 -1.08 0.00 0.00 175.30 173.48 2doa n PRO 25 N 0.37 1.93 -5.05 3.89 -0.02 -1.26 -4.36 135.00 130.51 2doa n PRO 25 Ca -0.17 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 2doa n PRO 25 Cb 0.60 -2.49 -0.16 0.00 -0.02 0.00 0.00 33.50 31.44 2doa n PRO 25 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2doa s TYR 26 N 2.92 2.64 1.01 6.00 2.02 -0.07 -4.84 117.35 127.03 2doa s TYR 26 Ca 0.90 -0.77 -0.17 0.00 -0.37 0.00 0.00 57.07 56.66 2doa s TYR 26 Cb -0.77 -1.73 0.22 0.00 -0.40 0.00 0.00 41.96 39.28 2doa s TYR 26 CO 0.50 -0.25 1.28 1.03 -1.57 0.00 0.00 175.55 176.54 2doa s ARG 27 N 0.15 0.29 0.19 -0.62 3.00 -1.26 -0.61 118.95 120.08 2doa s ARG 27 Ca -0.10 -0.34 0.01 0.00 0.00 0.00 0.00 55.73 55.30 2doa s ARG 27 Cb -0.16 -1.80 0.10 0.00 0.00 0.00 0.00 34.95 33.09 2doa s ARG 27 CO 0.06 -2.66 1.46 0.87 0.00 0.00 0.00 175.30 175.03 2doa h LYS 28 N -1.82 0.31 0.02 3.54 1.79 -1.92 -1.29 116.57 117.19 2doa h LYS 28 Ca -0.44 -0.26 -0.27 0.00 -2.18 0.00 0.00 60.65 57.50 2doa h LYS 28 Cb 1.25 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.91 2doa h LYS 28 CO 0.37 0.91 -1.49 0.00 -1.08 0.00 0.00 179.45 178.16 2doa h ALA 29 N 1.02 0.56 -0.09 3.86 0.00 -1.94 -2.98 119.26 119.71 2doa h ALA 29 Ca -0.03 -1.25 -0.15 0.00 0.00 0.00 0.00 54.91 53.48 2doa h ALA 29 Cb 1.29 0.28 0.01 0.00 0.00 0.00 0.00 17.79 19.37 2doa h ALA 29 CO 0.12 1.41 -0.55 0.93 0.00 0.00 0.00 179.25 181.16 2doa h GLU 30 N 0.01 0.52 -0.24 0.00 3.07 -1.93 -2.92 114.58 113.10 2doa h GLU 30 Ca -0.21 -0.45 -0.14 0.00 -0.50 0.00 0.00 59.36 58.07 2doa h GLU 30 Cb 1.94 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 29.95 2doa h GLU 30 CO 0.11 1.08 -0.43 1.25 -1.40 0.00 0.00 179.01 179.61 2doa h LEU 31 N 0.11 0.64 -0.13 1.33 5.85 -1.38 -2.94 115.31 118.79 2doa h LEU 31 Ca -0.04 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2doa h LEU 31 Cb 1.20 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2doa h LEU 31 CO 0.11 0.99 0.08 -0.07 -0.34 0.00 0.00 178.44 179.21 2doa h LEU 32 N 0.48 0.15 -1.64 2.25 3.38 -1.57 -1.15 115.31 117.22 2doa h LEU 32 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 32 Cb 0.95 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 2doa h LEU 32 CO 0.09 0.12 0.20 -0.07 0.09 0.00 0.00 178.44 178.86 2doa h LEU 33 N 0.17 0.38 0.13 1.67 3.38 -1.50 0.08 115.31 119.63 2doa h LEU 33 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 33 Cb -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.64 2doa h LEU 33 CO -0.01 0.30 -0.06 -0.09 0.09 0.00 0.00 178.44 178.67 2doa h ARG 34 N 0.45 -0.17 -0.10 1.13 1.12 -1.23 -3.05 114.38 112.53 2doa h ARG 34 Ca 0.12 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.96 2doa h ARG 34 Cb -0.01 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2doa h ARG 34 CO -0.02 0.21 -0.12 -0.07 -3.11 0.00 0.00 179.97 176.85 2doa h LEU 35 N -0.58 0.15 -1.71 3.80 3.38 -0.95 -2.15 115.31 117.25 2doa h LEU 35 Ca -0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2doa h LEU 35 Cb 0.45 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2doa h LEU 35 CO 0.03 0.29 0.10 1.56 0.09 0.00 0.00 178.44 180.51 2doa h GLN 36 N 0.15 0.29 -0.50 1.13 1.08 -0.92 0.64 115.11 116.98 2doa h GLN 36 Ca 0.03 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 2doa h GLN 36 Cb 0.32 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 2doa h GLN 36 CO 0.02 0.23 -0.05 0.87 -0.95 0.00 0.00 178.83 178.94 2doa h LYS 37 N 0.29 0.87 0.00 1.46 1.57 -1.28 -3.30 116.57 116.18 2doa h LYS 37 Ca 0.08 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.44 2doa h LYS 37 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2doa h LYS 37 CO -0.01 0.90 -0.80 -0.44 -0.57 0.00 0.00 179.45 178.52 2doa h ASP 38 N 0.79 0.00 0.00 0.86 3.32 -1.40 -3.49 116.42 116.50 2doa h ASP 38 Ca 0.14 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2doa h ASP 38 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2doa h ASP 38 CO 0.03 1.27 0.00 0.61 -1.72 0.00 0.00 179.24 179.43 2doa n GLY 39 N 1.51 -0.06 2.99 2.75 0.00 0.22 -4.96 105.19 107.63 2doa n GLY 39 Ca -0.23 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.38 2doa n GLY 39 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2doa s LEU 40 N 0.00 1.85 0.00 0.99 2.96 -1.19 -4.76 118.68 118.52 2doa s LEU 40 Ca 0.00 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 2doa s LEU 40 Cb 0.00 0.29 -0.00 0.00 0.50 0.00 0.00 46.19 46.98 2doa s LEU 40 CO 0.00 -0.19 0.01 0.35 -1.32 0.00 0.00 176.35 175.20 2doa n THR 41 N 2.25 0.00 -0.34 3.68 -2.24 -1.26 -4.87 114.28 111.49 2doa n THR 41 Ca -0.18 -0.07 -0.03 0.00 -2.27 0.00 0.00 64.05 61.49 2doa n THR 41 Cb 0.57 0.03 0.10 0.00 -2.10 0.00 0.00 70.33 68.93 2doa n THR 41 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2doa h GLN 42 N 0.00 1.27 0.92 -0.78 1.08 -2.02 -0.51 115.11 115.07 2doa h GLN 42 Ca -0.01 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 2doa h GLN 42 Cb 0.04 -0.26 0.01 0.00 -0.05 0.00 0.00 27.48 27.21 2doa h GLN 42 CO 0.01 0.90 -0.46 0.00 -0.95 0.00 0.00 178.83 178.33 2doa h ALA 43 N 1.31 -1.27 -0.02 3.87 0.00 -2.00 -2.50 119.26 118.64 2doa h ALA 43 Ca 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2doa h ALA 43 Cb -0.03 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2doa h ALA 43 CO -0.06 -1.22 0.01 -0.44 0.00 0.00 0.00 179.25 177.54 2doa h ASP 44 N -1.26 0.00 0.41 0.00 3.32 -1.94 -1.59 116.42 115.35 2doa h ASP 44 Ca -0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2doa h ASP 44 Cb 0.98 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 2doa h ASP 44 CO 0.19 0.00 -0.24 0.11 -1.72 0.00 0.00 179.24 177.59 2doa h LYS 45 N 0.00 -0.58 -0.81 3.56 1.57 -0.73 0.10 116.57 119.69 2doa h LYS 45 Ca 0.01 0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2doa h LYS 45 Cb 0.03 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2doa h LYS 45 CO -0.00 -0.38 0.53 -0.44 -0.57 0.00 0.00 179.45 178.58 2doa h ASP 46 N -0.60 0.93 -0.03 0.86 5.19 -1.35 -1.73 116.42 119.70 2doa h ASP 46 Ca -0.05 -0.03 0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2doa h ASP 46 Cb 0.47 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 2doa h ASP 46 CO 0.06 0.68 0.02 0.00 -3.12 0.00 0.00 179.24 176.89 2doa h ALA 47 N 1.29 2.02 -0.98 3.45 0.00 -1.24 -1.87 119.26 121.93 2doa h ALA 47 Ca 0.29 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.22 2doa h ALA 47 Cb -0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2doa h ALA 47 CO -0.06 -0.03 0.65 1.25 0.00 0.00 0.00 179.25 181.06 2doa h LEU 48 N 0.01 1.11 -0.12 0.00 5.85 0.17 0.34 115.31 122.67 2doa h LEU 48 Ca 0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2doa h LEU 48 Cb 0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2doa h LEU 48 CO -0.00 0.79 0.07 -0.78 -0.34 0.00 0.00 178.44 178.17 2doa h ASP 49 N 1.30 0.16 0.38 1.25 1.82 -1.37 0.80 116.42 120.76 2doa h ASP 49 Ca 0.37 -0.09 -0.16 0.00 -0.39 0.00 0.00 57.03 56.76 2doa h ASP 49 Cb -0.10 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 2doa h ASP 49 CO -0.09 0.20 -0.65 1.23 -1.61 0.00 0.00 179.24 178.32 2doa h GLY 50 N 0.10 0.28 0.78 -0.78 0.00 -1.48 -2.93 103.07 99.04 2doa h GLY 50 Ca 0.04 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2doa h GLY 50 CO -0.01 0.32 -0.12 -2.00 0.00 0.00 0.00 176.54 174.74 2doa h LEU 51 N 0.18 0.42 -1.19 3.11 5.85 -0.16 -2.97 115.31 120.54 2doa h LEU 51 Ca -0.01 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.29 2doa h LEU 51 Cb 1.18 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 2doa h LEU 51 CO 0.10 0.77 0.55 -0.07 -0.34 0.00 0.00 178.44 179.45 2doa h LEU 52 N 0.07 0.93 -1.72 2.25 3.38 -0.87 0.57 115.31 119.91 2doa h LEU 52 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2doa h LEU 52 Cb 0.63 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2doa h LEU 52 CO 0.03 0.66 -0.17 1.56 0.09 0.00 0.00 178.44 180.61 2doa h GLN 53 N 1.09 0.00 0.00 1.13 1.08 -1.45 0.66 115.11 117.62 2doa h GLN 53 Ca 0.31 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 57.25 2doa h GLN 53 Cb -0.07 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 2doa h GLN 53 CO -0.08 0.17 -1.51 1.04 -0.95 0.00 0.00 178.83 177.51 2doa n GLN 54 N -4.03 0.56 -1.08 1.46 1.13 -0.46 -4.36 117.38 110.60 2doa n GLN 54 Ca -0.02 0.50 -0.21 0.00 -1.94 0.00 0.00 57.00 55.32 2doa n GLN 54 Cb 0.26 -1.68 0.16 0.00 0.11 0.00 0.00 30.24 29.08 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2doa n VAL 55 N -4.40 2.95 -3.64 5.09 0.24 0.19 -4.94 118.33 113.81 2doa n VAL 55 Ca -0.36 -1.69 0.03 0.00 -2.04 0.00 0.00 64.34 60.28 2doa n VAL 55 Cb 0.70 -0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2doa n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2doa s ALA 56 N -2.91 -2.43 0.28 2.33 0.00 0.23 -4.50 121.76 114.75 2doa s ALA 56 Ca 0.50 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2doa s ALA 56 Cb 0.42 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 2doa s ALA 56 CO 0.10 -1.07 0.01 0.09 0.00 0.00 0.00 175.76 174.88 2doa n ASN 57 N -0.57 2.61 -4.04 0.00 3.02 0.12 -4.05 115.26 112.35 2doa n ASN 57 Ca -0.07 -2.25 -0.26 0.00 -0.03 0.00 0.00 54.58 51.97 2doa n ASN 57 Cb 0.63 0.24 -0.17 0.00 -0.61 0.00 0.00 39.78 39.87 2doa n ASN 57 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2doa s MET 58 N -3.01 1.89 0.56 3.52 1.75 -1.26 -2.28 119.30 120.46 2doa s MET 58 Ca 0.01 -0.46 0.25 0.00 -1.25 0.00 0.00 55.69 54.24 2doa s MET 58 Cb 0.00 -1.57 1.59 0.00 2.84 0.00 0.00 34.83 37.69 2doa s MET 58 CO 0.01 0.01 2.18 1.03 -0.65 0.00 0.00 175.02 177.60 2doa h SER 59 N 7.10 0.00 -3.31 1.11 0.87 -0.99 -3.46 113.55 114.87 2doa h SER 59 Ca -0.30 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.93 2doa h SER 59 Cb 1.19 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 63.18 2doa h SER 59 CO 0.47 0.00 -0.47 0.00 -0.53 0.00 0.00 176.83 176.30 2doa n ALA 60 N -2.41 -0.70 0.00 6.23 0.00 -1.26 -4.78 120.51 117.58 2doa n ALA 60 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2doa n ALA 60 Cb 0.16 -2.84 0.00 0.00 0.00 0.00 0.00 19.45 16.76 2doa n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2doa n LYS 61 N -3.17 0.00 -0.64 0.00 4.81 -1.26 -4.93 118.16 112.97 2doa n LYS 61 Ca -0.13 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.37 2doa n LYS 61 Cb 0.61 -0.09 0.11 0.00 0.02 0.00 0.00 35.03 35.69 2doa n LYS 61 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2doa n ASP 62 N -2.25 1.42 -2.05 3.14 2.03 -1.26 -4.97 116.55 112.61 2doa n ASP 62 Ca 0.00 -2.93 -0.17 0.00 0.52 0.00 0.00 54.79 52.21 2doa n ASP 62 Cb 0.00 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 39.97 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2doa n GLY 63 N -0.65 0.34 3.78 0.27 0.00 -1.26 -4.94 105.19 102.73 2doa n GLY 63 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2doa n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2doa s THR 64 N -2.69 4.77 -0.12 2.61 2.01 -1.26 -3.60 115.64 117.37 2doa s THR 64 Ca 0.00 1.32 -0.06 0.00 0.31 0.00 0.00 61.69 63.26 2doa s THR 64 Cb 0.00 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 2doa s THR 64 CO 0.00 0.47 0.11 0.00 -0.69 0.00 0.00 174.62 174.52 2doa s THR 66 N -0.96 1.22 0.56 0.00 -4.23 -0.97 -0.89 115.64 110.37 2doa s THR 66 Ca 0.14 -0.84 -0.19 0.00 -1.18 0.00 0.00 61.69 59.62 2doa s THR 66 Cb -0.12 -1.05 -0.05 0.00 1.34 0.00 0.00 72.50 72.62 2doa s THR 66 CO 0.04 0.19 1.12 -0.22 -0.54 0.00 0.00 174.62 175.21 2doa s LEU 67 N -0.75 3.69 0.00 4.79 2.96 -1.26 0.13 118.68 128.24 2doa s LEU 67 Ca 0.04 2.13 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 2doa s LEU 67 Cb -0.07 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.05 2doa s LEU 67 CO 0.00 -1.26 0.00 0.00 -1.32 0.00 0.00 176.35 173.77 2doa n GLN 68 N -1.48 -0.08 -0.09 1.98 6.02 -1.26 -4.82 117.38 117.65 2doa n GLN 68 Ca 0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.00 56.91 2doa n GLN 68 Cb 0.51 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.65 2doa n GLN 68 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2doa n ASP 69 N -2.62 2.03 0.10 1.08 2.03 -1.26 -4.25 116.55 113.66 2doa n ASP 69 Ca 0.00 -0.02 -0.04 0.00 0.52 0.00 0.00 54.79 55.25 2doa n ASP 69 Cb 0.00 -0.57 0.09 0.00 -0.72 0.00 0.00 41.12 39.93 2doa n ASP 69 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2doa h MET 71 N 0.07 0.00 -0.42 0.00 2.86 -1.97 -2.21 114.93 113.26 2doa h MET 71 Ca -0.01 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2doa h MET 71 Cb 1.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.89 2doa h MET 71 CO 0.10 0.08 0.30 1.88 1.06 0.00 0.00 176.91 180.34 2doa h TYR 72 N 0.00 0.00 -0.07 -0.22 0.05 -1.71 0.64 116.97 115.66 2doa h TYR 72 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2doa h TYR 72 Cb 0.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 2doa h TYR 72 CO 0.00 0.00 -0.17 0.87 -1.05 0.00 0.00 178.16 177.81 2doa h LYS 73 N 0.00 0.11 0.00 4.88 1.57 -1.59 -1.93 116.57 119.60 2doa h LYS 73 Ca 0.20 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2doa h LYS 73 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2doa h LYS 73 CO -0.00 0.28 -0.32 -0.44 -0.57 0.00 0.00 179.45 178.40 2doa h ASP 74 N 0.10 0.00 -2.33 0.86 3.32 -1.04 -3.44 116.42 113.89 2doa h ASP 74 Ca 0.02 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.51 2doa h ASP 74 Cb 0.36 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.95 2doa h ASP 74 CO 0.02 0.32 1.01 0.52 -1.72 0.00 0.00 179.24 179.39 2doa n VAL 75 N -3.44 0.29 -1.49 -1.35 0.31 -0.73 -4.98 118.33 106.94 2doa n VAL 75 Ca 0.00 -0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.15 2doa n VAL 75 Cb 0.50 -1.89 0.09 0.00 -0.91 0.00 0.00 33.84 31.63 2doa n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2doa n GLN 76 N 5.13 -0.53 -1.66 5.55 6.02 -1.26 -5.03 117.38 125.60 2doa n GLN 76 Ca 0.19 -0.96 -0.03 0.00 -0.01 0.00 0.00 57.00 56.19 2doa n GLN 76 Cb 0.33 -0.60 0.08 0.00 1.02 0.00 0.00 30.24 31.07 2doa n GLN 76 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2doa n LYS 77 N -2.26 1.66 -1.30 -1.09 5.02 -1.26 -4.75 118.16 114.18 2doa n LYS 77 Ca 0.08 -3.20 -0.04 0.00 -2.02 0.00 0.00 58.31 53.13 2doa n LYS 77 Cb 0.26 -1.33 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2doa n ASP 78 N -0.47 -0.86 -4.61 4.39 2.03 -1.26 -5.11 116.55 110.65 2doa n ASP 78 Ca 0.19 -1.63 -0.43 0.00 0.52 0.00 0.00 54.79 53.43 2doa n ASP 78 Cb 0.90 0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 41.59 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2doa s TRP 79 N 0.03 1.70 0.63 -0.67 -0.11 -1.26 -4.85 118.94 114.41 2doa s TRP 79 Ca 0.02 0.49 0.30 0.00 1.22 0.00 0.00 56.10 58.13 2doa s TRP 79 Cb 0.10 -4.05 1.62 0.00 -1.50 0.00 0.00 33.47 29.63 2doa s TRP 79 CO -0.03 -3.42 1.96 -1.35 -4.62 0.00 0.00 176.95 169.50 2doa h PRO 80 N 12.57 0.00 -0.60 5.86 0.11 -1.96 -1.36 132.00 146.62 2doa h PRO 80 Ca -0.37 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.84 2doa h PRO 80 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2doa h PRO 80 CO 1.00 0.00 0.40 0.78 -0.21 0.00 0.00 178.00 179.97 2doa h GLY 81 N 0.00 0.58 -0.72 -0.55 0.00 -1.88 -3.43 103.07 97.07 2doa h GLY 81 Ca 0.09 -0.17 -0.46 0.00 0.00 0.00 0.00 47.33 46.79 2doa h GLY 81 CO -0.00 0.10 0.39 -0.19 0.00 0.00 0.00 176.54 176.84 2doa s TYR 82 N -5.39 2.30 0.02 5.60 2.02 -0.51 -5.05 117.35 116.33 2doa s TYR 82 Ca -0.08 0.60 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 2doa s TYR 82 Cb 0.20 -3.71 0.00 0.00 -0.40 0.00 0.00 41.96 38.05 2doa s TYR 82 CO 0.75 -2.26 0.00 0.43 -1.57 0.00 0.00 175.55 172.90 2doa n SER 83 N -3.60 -0.00 0.07 2.29 7.64 -1.26 -4.97 113.62 113.78 2doa n SER 83 Ca 0.11 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.01 2doa n SER 83 Cb 0.60 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2doa n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2doa n GLU 84 N -2.56 0.00 0.25 1.43 2.13 -1.26 -4.78 120.64 115.85 2doa n GLU 84 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2doa n GLU 84 Cb 0.00 0.00 0.64 0.00 0.27 0.00 0.00 31.44 32.35 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2doa h GLY 85 N 0.00 0.00 1.49 8.31 0.00 -2.00 -2.21 103.07 108.67 2doa h GLY 85 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.07 2doa h GLY 85 CO 0.00 0.00 -1.35 -0.55 0.00 0.00 0.00 176.54 174.64 2doa h ASP 86 N 0.00 0.08 -0.10 0.19 3.32 -1.97 -3.11 116.42 114.83 2doa h ASP 86 Ca -0.00 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 2doa h ASP 86 Cb 0.19 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2doa h ASP 86 CO 0.01 1.10 -0.20 1.56 -1.72 0.00 0.00 179.24 179.98 2doa h GLN 87 N 0.01 0.51 0.04 3.56 4.20 -1.72 -2.35 115.11 119.36 2doa h GLN 87 Ca -0.15 -0.18 -0.25 0.00 0.06 0.00 0.00 58.65 58.13 2doa h GLN 87 Cb 1.90 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 29.66 2doa h GLN 87 CO 0.12 0.69 -1.06 1.96 -0.67 0.00 0.00 178.83 179.87 2doa h GLN 88 N 0.46 0.50 -0.11 1.46 4.20 -1.54 -3.22 115.11 116.86 2doa h GLN 88 Ca 0.07 -0.59 -0.05 0.00 0.06 0.00 0.00 58.65 58.14 2doa h GLN 88 Cb 0.61 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 2doa h GLN 88 CO 0.04 1.22 -0.16 1.25 -0.67 0.00 0.00 178.83 180.51 2doa h LEU 89 N 0.26 0.17 -1.11 1.46 5.85 -1.45 -2.20 115.31 118.29 2doa h LEU 89 Ca -0.12 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.47 2doa h LEU 89 Cb 1.71 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2doa h LEU 89 CO 0.19 0.35 -0.44 0.25 -0.34 0.00 0.00 178.44 178.45 2doa h LEU 90 N 0.17 0.00 0.45 2.25 5.85 -1.44 -3.03 115.31 119.56 2doa h LEU 90 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2doa h LEU 90 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 2doa h LEU 90 CO 0.02 0.44 -0.22 0.11 -0.34 0.00 0.00 178.44 178.46 2doa h LYS 91 N 0.00 -0.58 -0.50 1.25 1.57 -1.42 -1.96 116.57 114.93 2doa h LYS 91 Ca -0.00 0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 2doa h LYS 91 Cb 0.79 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2doa h LYS 91 CO 0.06 -0.28 0.39 0.07 -0.57 0.00 0.00 179.45 179.11 2doa h ARG 92 N -0.89 0.00 0.00 3.15 0.11 -1.56 0.27 114.38 115.47 2doa h ARG 92 Ca -0.06 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.85 2doa h ARG 92 Cb 0.57 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2doa h ARG 92 CO 0.10 0.00 -0.79 0.28 0.10 0.00 0.00 179.97 179.66 2doa h VAL 93 N 0.00 1.46 0.13 0.08 2.07 -1.39 -2.48 116.25 116.11 2doa h VAL 93 Ca 0.24 -2.82 -0.32 0.00 0.82 0.00 0.00 66.70 64.61 2doa h VAL 93 Cb 1.00 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.34 2doa h VAL 93 CO -0.00 0.78 -1.61 -0.07 0.02 0.00 0.00 177.57 176.69 2doa h LEU 94 N 0.00 0.43 0.07 2.57 3.38 0.13 -3.19 115.31 118.70 2doa h LEU 94 Ca -0.01 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.34 2doa h LEU 94 Cb 1.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2doa h LEU 94 CO 0.10 1.52 -0.03 0.58 0.09 0.00 0.00 178.44 180.70 2doa h VAL 95 N 0.07 1.21 -0.23 1.22 2.07 -0.70 0.79 116.25 120.68 2doa h VAL 95 Ca -0.27 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.21 2doa h VAL 95 Cb 2.04 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.69 2doa h VAL 95 CO 0.16 0.26 0.16 -0.09 0.02 0.00 0.00 177.57 178.08 2doa h ARG 96 N -0.58 0.15 0.00 1.57 9.65 -1.62 -3.10 114.38 120.46 2doa h ARG 96 Ca -0.01 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.77 2doa h ARG 96 Cb 0.50 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2doa h ARG 96 CO 0.01 0.10 -0.65 0.87 2.80 0.00 0.00 179.97 183.10 2doa h LYS 97 N 0.16 0.00 -4.59 0.20 1.79 -1.53 -3.43 116.57 109.17 2doa h LYS 97 Ca 0.10 0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.85 2doa h LYS 97 Cb 0.21 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 30.65 2doa h LYS 97 CO -0.02 0.51 0.40 -0.51 -1.08 0.00 0.00 179.45 178.75 2doa s LEU 98 N -8.14 5.64 0.21 2.94 1.43 0.27 -4.67 118.68 116.36 2doa s LEU 98 Ca -0.19 -2.02 0.00 0.00 -1.03 0.00 0.00 54.13 50.89 2doa s LEU 98 Cb 0.03 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.93 2doa s LEU 98 CO 0.39 -0.95 0.00 -0.24 0.23 0.00 0.00 176.35 175.78 2doa n SER 99 N 5.76 -0.00 -3.63 2.29 2.88 -1.23 -4.46 113.62 115.24 2doa n SER 99 Ca 0.10 0.35 -0.27 0.00 -1.33 0.00 0.00 58.87 57.72 2doa n SER 99 Cb 0.46 0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 64.07 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 100 N 1.79 4.49 3.70 0.46 0.00 -1.26 -5.08 105.19 109.29 2doa n GLY 100 Ca 0.00 -2.70 -0.42 0.00 0.00 0.00 0.00 46.02 42.90 2doa n GLY 100 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2doa s PRO 101 N -2.06 4.32 0.00 1.61 0.04 -1.26 -4.81 135.00 132.83 2doa s PRO 101 Ca 0.34 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.39 2doa s PRO 101 Cb 0.07 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2doa s PRO 101 CO -0.08 -0.48 0.00 0.45 0.04 0.00 0.00 177.00 176.94 2doa n SER 102 N 4.50 -0.01 -0.09 6.66 2.88 -1.26 -4.96 113.62 121.34 2doa n SER 102 Ca 0.12 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.44 2doa n SER 102 Cb 0.43 0.16 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 2doa n SER 102 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2doa n SER 103 N -2.51 1.99 0.00 -3.46 7.64 -1.26 -5.33 113.62 110.70 2doa n SER 103 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 2doa n SER 103 Cb 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64