#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doa n SER 2 N 0.00 -1.02 -0.01 1.61 3.41 -1.26 -5.04 113.62 111.32 2doa n SER 2 Ca 0.00 0.31 -0.04 0.00 -0.26 0.00 0.00 58.87 58.89 2doa n SER 2 Cb 0.00 1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.13 2doa n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2doa n SER 3 N -2.69 1.44 0.00 4.04 2.88 -1.26 -5.10 113.62 112.93 2doa n SER 3 Ca 0.00 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2doa n SER 3 Cb 0.00 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2doa n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 4 N 2.67 0.20 3.03 0.46 0.00 -1.26 -5.09 105.19 105.20 2doa n GLY 4 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2doa n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2doa s SER 5 N 0.00 -0.58 0.63 1.61 0.15 -1.26 -5.08 113.70 109.17 2doa s SER 5 Ca 0.00 0.47 -0.10 0.00 0.70 0.00 0.00 55.95 57.02 2doa s SER 5 Cb 0.00 1.64 -0.01 0.00 -1.71 0.00 0.00 66.02 65.94 2doa s SER 5 CO 0.00 -0.29 1.01 -0.44 1.20 0.00 0.00 173.24 174.72 2doa s SER 6 N 2.70 5.82 0.00 5.45 0.01 -1.26 -5.05 113.70 121.37 2doa s SER 6 Ca 0.16 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.55 2doa s SER 6 Cb -0.15 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 63.98 2doa s SER 6 CO -0.20 -1.05 0.00 0.61 0.41 0.00 0.00 173.24 173.01 2doa n GLY 7 N -2.76 -0.89 2.41 3.44 0.00 -1.26 -5.01 105.19 101.12 2doa n GLY 7 Ca 0.05 -0.78 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 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 1.65 -0.86 0.00 1.61 0.31 -1.26 -4.69 118.33 115.09 2doa n VAL 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2doa n VAL 8 Cb 0.00 -2.69 0.00 0.00 -0.91 0.00 0.00 33.84 30.24 2doa n VAL 8 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2doa n SER 9 N -1.92 0.00 0.19 4.52 7.64 -1.26 -4.82 113.62 117.97 2doa n SER 9 Ca -0.23 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.70 2doa n SER 9 Cb 0.67 0.08 0.39 0.00 -1.01 0.00 0.00 64.21 64.34 2doa n SER 9 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2doa h GLN 10 N 0.00 0.00 -7.11 1.43 4.20 -1.92 -3.45 115.11 108.26 2doa h GLN 10 Ca 0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 2doa h GLN 10 Cb 0.00 0.00 0.17 0.00 0.30 0.00 0.00 27.48 27.95 2doa h GLN 10 CO 0.00 0.36 0.39 0.54 -0.67 0.00 0.00 178.83 179.45 2doa n ARG 11 N -3.76 0.73 -1.21 1.46 5.12 -1.26 -4.93 116.66 112.81 2doa n ARG 11 Ca -0.01 0.31 -0.36 0.00 -1.93 0.00 0.00 57.85 55.86 2doa n ARG 11 Cb 0.44 -2.45 0.08 0.00 -1.16 0.00 0.00 32.46 29.36 2doa n ARG 11 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2doa n PRO 12 N -2.33 0.24 -0.18 5.56 -0.02 -1.26 -4.82 135.00 132.18 2doa n PRO 12 Ca 0.15 0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 2doa n PRO 12 Cb 0.49 -1.84 0.01 0.00 -0.02 0.00 0.00 33.50 32.14 2doa n PRO 12 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2doa h PHE 13 N -0.50 1.15 -0.02 6.00 3.57 -1.93 -2.57 116.94 122.65 2doa h PHE 13 Ca -0.45 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 60.75 2doa h PHE 13 Cb 1.34 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2doa h PHE 13 CO 0.35 1.07 -0.23 -0.09 -2.23 0.00 0.00 178.31 177.18 2doa h ARG 14 N 0.90 0.03 -0.19 1.11 2.43 -1.99 -2.45 114.38 114.22 2doa h ARG 14 Ca 0.14 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 59.10 2doa h ARG 14 Cb 0.68 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2doa h ARG 14 CO 0.05 0.26 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.64 2doa h ASP 15 N 0.02 0.88 -0.40 -3.80 5.19 -1.85 0.13 116.42 116.60 2doa h ASP 15 Ca 0.00 -0.54 -0.04 0.00 -0.62 0.00 0.00 57.03 55.84 2doa h ASP 15 Cb 0.42 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2doa h ASP 15 CO 0.03 1.33 0.11 0.03 -3.12 0.00 0.00 179.24 177.62 2doa h ARG 16 N 0.54 0.63 0.04 3.56 3.08 -1.11 0.39 114.38 121.51 2doa h ARG 16 Ca -0.03 -0.14 -0.24 0.00 0.07 0.00 0.00 59.98 59.64 2doa h ARG 16 Cb 1.30 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.27 2doa h ARG 16 CO 0.14 0.64 -1.03 0.28 -1.07 0.00 0.00 179.97 178.93 2doa h VAL 17 N 0.50 1.41 -0.21 2.04 2.07 -1.48 -2.20 116.25 118.38 2doa h VAL 17 Ca 0.13 -2.59 -0.03 0.00 0.82 0.00 0.00 66.70 65.03 2doa h VAL 17 Cb 0.29 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2doa h VAL 17 CO -0.00 0.77 0.01 0.25 0.02 0.00 0.00 177.57 178.62 2doa h LEU 18 N 0.20 0.36 -0.80 2.57 5.85 -0.65 -1.61 115.31 121.22 2doa h LEU 18 Ca -0.10 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 2doa h LEU 18 Cb 1.69 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.61 2doa h LEU 18 CO 0.18 0.57 -0.49 0.45 -0.34 0.00 0.00 178.44 178.80 2doa h HIS 19 N 0.14 0.32 0.69 1.25 3.86 -1.01 -2.35 115.15 118.06 2doa h HIS 19 Ca 0.06 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 2doa h HIS 19 Cb 0.38 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.79 2doa h HIS 19 CO 0.03 0.71 -0.33 -0.07 0.86 0.00 0.00 177.93 179.12 2doa h LEU 20 N 0.21 -0.79 -2.09 2.43 3.38 -1.27 -3.01 115.31 114.17 2doa h LEU 20 Ca 0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2doa h LEU 20 Cb 0.94 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 2doa h LEU 20 CO 0.08 -0.42 0.09 -0.07 0.09 0.00 0.00 178.44 178.20 2doa h LEU 21 N -1.19 0.00 -0.26 1.67 3.38 -1.35 -2.29 115.31 115.27 2doa h LEU 21 Ca -0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 21 Cb 0.74 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 2doa h LEU 21 CO 0.16 0.00 0.10 0.00 0.09 0.00 0.00 178.44 178.78 2doa h ALA 22 N 1.93 0.29 0.57 1.53 0.00 -1.30 -3.10 119.26 119.18 2doa h ALA 22 Ca 0.05 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2doa h ALA 22 Cb 0.23 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.03 2doa h ALA 22 CO -0.00 -0.31 -0.27 -0.07 0.00 0.00 0.00 179.25 178.60 2doa h LEU 23 N 0.22 -0.65 -7.16 0.00 3.38 -1.29 -3.48 115.31 106.34 2doa h LEU 23 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2doa h LEU 23 Cb 0.07 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 2doa h LEU 23 CO -0.11 -0.38 0.09 0.00 0.09 0.00 0.00 178.44 178.14 2doa s ARG 24 N -5.53 1.15 0.76 1.13 1.70 -1.15 -4.97 118.95 112.05 2doa s ARG 24 Ca -0.16 -0.46 -0.15 0.00 -0.47 0.00 0.00 55.73 54.49 2doa s ARG 24 Cb 0.03 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 2doa s ARG 24 CO 0.58 -0.47 0.58 -2.30 -1.08 0.00 0.00 175.30 172.61 2doa n PRO 25 N -0.10 0.22 -3.29 3.89 -0.02 -1.26 -4.13 135.00 130.31 2doa n PRO 25 Ca -0.17 0.12 -0.05 0.00 -2.02 0.00 0.00 63.50 61.38 2doa n PRO 25 Cb 0.63 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.99 -1.08 1.30 6.00 2.02 -1.04 -4.94 117.35 117.62 2doa s TYR 26 Ca 0.65 1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 58.23 2doa s TYR 26 Cb -0.32 0.17 0.33 0.00 -0.40 0.00 0.00 41.96 41.74 2doa s TYR 26 CO 0.58 -0.79 0.97 1.03 -1.57 0.00 0.00 175.55 175.78 2doa s ARG 27 N 2.64 -1.97 0.07 -0.62 0.52 -1.26 -2.83 118.95 115.49 2doa s ARG 27 Ca 0.15 0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 55.64 2doa s ARG 27 Cb -0.15 -1.45 -0.18 0.00 0.52 0.00 0.00 34.95 33.69 2doa s ARG 27 CO -0.18 -4.35 1.59 0.87 0.02 0.00 0.00 175.30 173.25 2doa h LYS 28 N -3.06 -0.58 -0.37 3.54 1.57 -1.95 0.45 116.57 116.17 2doa h LYS 28 Ca -0.56 0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.17 2doa h LYS 28 Cb 1.34 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.77 2doa h LYS 28 CO 0.42 -0.36 -0.14 0.00 -0.57 0.00 0.00 179.45 178.79 2doa h ALA 29 N -0.12 1.07 -0.44 3.86 0.00 -1.95 0.06 119.26 121.74 2doa h ALA 29 Ca -0.06 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2doa h ALA 29 Cb 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2doa h ALA 29 CO 0.10 0.57 -0.28 1.49 0.00 0.00 0.00 179.25 181.13 2doa h GLU 30 N 0.60 0.96 -0.03 0.00 4.81 -1.87 -2.55 114.58 116.50 2doa h GLU 30 Ca 0.10 -0.45 -0.17 0.00 -0.13 0.00 0.00 59.36 58.71 2doa h GLU 30 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2doa h GLU 30 CO 0.04 1.12 -0.73 1.25 -0.73 0.00 0.00 179.01 179.95 2doa h LEU 31 N 0.80 0.24 -0.24 1.64 5.85 0.08 -2.93 115.31 120.76 2doa h LEU 31 Ca 0.09 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2doa h LEU 31 Cb 0.86 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2doa h LEU 31 CO 0.08 0.89 0.09 -0.07 -0.34 0.00 0.00 178.44 179.09 2doa h LEU 32 N 0.13 0.34 -0.41 2.25 3.38 -0.89 -0.33 115.31 119.78 2doa h LEU 32 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2doa h LEU 32 Cb 1.30 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2doa h LEU 32 CO 0.11 0.43 0.20 -0.07 0.09 0.00 0.00 178.44 179.20 2doa h LEU 33 N 0.23 0.52 -0.71 1.67 3.38 -1.49 0.18 115.31 119.09 2doa h LEU 33 Ca 0.08 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2doa h LEU 33 Cb 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2doa h LEU 33 CO -0.00 0.49 0.34 -0.09 0.09 0.00 0.00 178.44 179.26 2doa h ARG 34 N 0.52 1.03 -0.25 1.13 1.12 -1.41 -1.86 114.38 114.66 2doa h ARG 34 Ca 0.14 -0.15 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 2doa h ARG 34 Cb 0.10 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.87 2doa h ARG 34 CO -0.02 0.81 -0.18 -0.07 -3.11 0.00 0.00 179.97 177.41 2doa h LEU 35 N 1.00 0.58 -2.00 3.80 3.38 -0.80 -2.98 115.31 118.30 2doa h LEU 35 Ca 0.24 -0.44 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2doa h LEU 35 Cb 0.12 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2doa h LEU 35 CO -0.03 0.90 0.03 -0.61 0.09 0.00 0.00 178.44 178.82 2doa h GLN 36 N 0.27 0.00 -0.23 1.13 4.15 -0.47 -1.10 115.11 118.86 2doa h GLN 36 Ca 0.05 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.48 2doa h GLN 36 Cb 0.71 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 2doa h GLN 36 CO 0.05 0.00 0.16 0.87 -1.93 0.00 0.00 178.83 177.98 2doa h LYS 37 N 0.00 0.28 -0.28 1.69 1.57 -1.17 -2.05 116.57 116.61 2doa h LYS 37 Ca 0.02 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 2doa h LYS 37 Cb 0.08 -0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.23 2doa h LYS 37 CO -0.00 0.18 -0.27 -0.25 -0.57 0.00 0.00 179.45 178.55 2doa n ASP 38 N -4.50 2.51 0.00 0.86 9.92 -0.46 -5.04 116.55 119.84 2doa n ASP 38 Ca 0.01 -3.84 0.00 0.00 -0.53 0.00 0.00 54.79 50.43 2doa n ASP 38 Cb 0.10 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 39.99 2doa n ASP 38 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2doa n GLY 39 N -1.09 0.51 3.10 0.44 0.00 -0.77 -4.62 105.19 102.77 2doa n GLY 39 Ca 0.30 -1.29 -0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.25 -1.51 0.00 0.99 2.96 -1.26 -4.21 118.68 115.40 2doa s LEU 40 Ca 0.00 -1.00 -0.15 0.00 -0.22 0.00 0.00 54.13 52.76 2doa s LEU 40 Cb 0.00 1.94 0.21 0.00 0.50 0.00 0.00 46.19 48.84 2doa s LEU 40 CO 0.00 -0.14 0.96 1.07 -1.32 0.00 0.00 176.35 176.91 2doa n THR 41 N 4.08 0.00 -0.15 3.68 5.66 -1.26 -4.75 114.28 121.54 2doa n THR 41 Ca 0.13 -0.58 -0.08 0.00 -3.05 0.00 0.00 64.05 60.47 2doa n THR 41 Cb 0.57 -1.40 0.01 0.00 -1.55 0.00 0.00 70.33 67.95 2doa n THR 41 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2doa h GLN 42 N 0.00 0.63 -0.09 1.09 1.08 -2.01 -0.88 115.11 114.93 2doa h GLN 42 Ca -0.33 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 56.81 2doa h GLN 42 Cb 0.97 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2doa h GLN 42 CO 0.23 0.52 0.06 0.00 -0.95 0.00 0.00 178.83 178.69 2doa h ALA 43 N 1.08 2.07 0.03 3.87 0.00 -1.99 0.99 119.26 125.32 2doa h ALA 43 Ca 0.16 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 2doa h ALA 43 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2doa h ALA 43 CO -0.02 -0.09 -1.17 -0.44 0.00 0.00 0.00 179.25 177.53 2doa h ASP 44 N 0.01 0.10 -0.03 0.00 3.32 -1.74 -1.98 116.42 116.10 2doa h ASP 44 Ca 0.04 -0.12 -0.24 0.00 0.02 0.00 0.00 57.03 56.73 2doa h ASP 44 Cb 0.15 -0.03 0.02 0.00 0.22 0.00 0.00 39.33 39.69 2doa h ASP 44 CO -0.00 1.09 -0.93 0.11 -1.72 0.00 0.00 179.24 177.79 2doa h LYS 45 N 0.02 0.68 -0.01 3.56 1.57 -0.06 -2.02 116.57 120.30 2doa h LYS 45 Ca -0.08 -0.70 -0.23 0.00 -1.87 0.00 0.00 60.65 57.77 2doa h LYS 45 Cb 1.85 0.19 0.02 0.00 0.08 0.00 0.00 32.23 34.37 2doa h LYS 45 CO 0.14 1.28 -0.91 0.22 -0.57 0.00 0.00 179.45 179.62 2doa h ASP 46 N 0.35 0.82 0.72 0.86 1.82 -0.96 -3.22 116.42 116.81 2doa h ASP 46 Ca -0.11 -0.73 -0.05 0.00 -0.39 0.00 0.00 57.03 55.75 2doa h ASP 46 Cb 1.59 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.34 2doa h ASP 46 CO 0.19 1.44 -0.25 0.00 -1.61 0.00 0.00 179.24 179.01 2doa h ALA 47 N 0.39 1.10 0.00 -0.78 0.00 -1.45 -3.18 119.26 115.35 2doa h ALA 47 Ca -0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.60 2doa h ALA 47 Cb 1.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 2doa h ALA 47 CO 0.18 0.31 -0.13 1.25 0.00 0.00 0.00 179.25 180.85 2doa h LEU 48 N 0.00 -0.39 -1.79 0.00 5.85 -1.37 0.50 115.31 118.12 2doa h LEU 48 Ca -0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.79 2doa h LEU 48 Cb 0.67 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2doa h LEU 48 CO 0.03 -0.19 0.18 -0.78 -0.34 0.00 0.00 178.44 177.34 2doa h ASP 49 N -0.23 0.24 1.27 1.25 1.82 -1.66 0.12 116.42 119.23 2doa h ASP 49 Ca 0.05 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.57 2doa h ASP 49 Cb 0.29 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2doa h ASP 49 CO -0.13 0.17 -0.76 1.23 -1.61 0.00 0.00 179.24 178.15 2doa h GLY 50 N 0.28 0.00 1.21 -0.78 0.00 -1.39 -3.30 103.07 99.10 2doa h GLY 50 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.11 2doa h GLY 50 CO -0.02 0.00 -1.54 -2.00 0.00 0.00 0.00 176.54 172.98 2doa h LEU 51 N 0.00 0.57 -1.98 3.11 5.85 0.99 -3.21 115.31 120.65 2doa h LEU 51 Ca -0.05 -0.73 -0.00 0.00 0.84 0.00 0.00 57.88 57.94 2doa h LEU 51 Cb 1.40 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 2doa h LEU 51 CO 0.05 1.60 -0.01 -0.07 -0.34 0.00 0.00 178.44 179.67 2doa h LEU 52 N 0.10 0.00 0.00 2.25 3.38 -0.93 0.87 115.31 120.98 2doa h LEU 52 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2doa h LEU 52 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 2doa h LEU 52 CO 0.20 0.01 -0.33 1.56 0.09 0.00 0.00 178.44 179.98 2doa h GLN 53 N 0.00 0.00 0.00 1.13 4.20 -1.64 -2.67 115.11 116.13 2doa h GLN 53 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 2doa h GLN 53 Cb 0.03 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2doa h GLN 53 CO 0.00 0.00 -1.72 1.04 -0.67 0.00 0.00 178.83 177.49 2doa n GLN 54 N -2.65 0.55 -1.03 1.46 6.02 -0.24 -4.55 117.38 116.94 2doa n GLN 54 Ca 0.03 0.23 -0.20 0.00 -0.01 0.00 0.00 57.00 57.05 2doa n GLN 54 Cb 0.50 -1.45 0.15 0.00 1.02 0.00 0.00 30.24 30.46 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2doa n VAL 55 N -4.35 2.86 -3.61 5.09 0.24 0.29 -4.93 118.33 113.92 2doa n VAL 55 Ca -0.33 -1.63 -0.00 0.00 -2.04 0.00 0.00 64.34 60.34 2doa n VAL 55 Cb 0.69 -0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.78 -2.19 0.34 2.33 0.00 -1.01 -4.35 121.76 114.10 2doa s ALA 56 Ca 0.48 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.44 2doa s ALA 56 Cb 0.40 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.74 2doa s ALA 56 CO 0.09 -0.91 0.11 0.09 0.00 0.00 0.00 175.76 175.14 2doa n ASN 57 N -0.36 2.57 -4.07 0.00 3.02 0.10 -4.05 115.26 112.47 2doa n ASN 57 Ca -0.06 -2.33 -0.10 0.00 -0.03 0.00 0.00 54.58 52.06 2doa n ASN 57 Cb 0.61 0.12 -0.08 0.00 -0.61 0.00 0.00 39.78 39.83 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 -3.28 1.31 0.24 3.52 1.75 -1.26 -2.88 119.30 118.69 2doa s MET 58 Ca 0.08 -1.38 0.01 0.00 -1.25 0.00 0.00 55.69 53.15 2doa s MET 58 Cb -0.01 0.37 -0.04 0.00 2.84 0.00 0.00 34.83 37.99 2doa s MET 58 CO 0.05 -0.49 0.13 0.45 -0.65 0.00 0.00 175.02 174.52 2doa s SER 59 N -3.06 0.70 -0.12 1.11 0.15 -1.25 -4.98 113.70 106.26 2doa s SER 59 Ca 0.27 -1.43 0.09 0.00 0.70 0.00 0.00 55.95 55.59 2doa s SER 59 Cb 0.03 0.32 -0.14 0.00 -1.71 0.00 0.00 66.02 64.53 2doa s SER 59 CO 0.08 -0.82 0.02 0.00 1.20 0.00 0.00 173.24 173.72 2doa n ALA 60 N -0.38 1.71 -0.17 5.45 0.00 -1.26 -3.53 120.51 122.33 2doa n ALA 60 Ca 0.02 -0.75 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 2doa n ALA 60 Cb 0.66 0.02 0.18 0.00 0.00 0.00 0.00 19.45 20.31 2doa n ALA 60 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2doa h LYS 61 N 0.00 0.92 0.00 0.00 1.79 -2.02 -3.41 116.57 113.85 2doa h LYS 61 Ca -0.31 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2doa h LYS 61 Cb 1.69 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.19 2doa h LYS 61 CO 0.01 0.76 0.00 -3.47 -1.08 0.00 0.00 179.45 175.67 2doa n ASP 62 N -4.30 0.44 0.00 0.86 -0.08 -1.26 -5.09 116.55 107.11 2doa n ASP 62 Ca 0.05 0.11 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2doa n ASP 62 Cb 0.18 -0.09 0.00 0.00 2.34 0.00 0.00 41.12 43.55 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2doa n GLY 63 N 3.10 1.72 3.95 0.27 0.00 -1.23 -5.01 105.19 108.00 2doa n GLY 63 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 4.35 -0.41 2.61 2.01 -1.26 -4.42 115.64 116.51 2doa s THR 64 Ca 0.00 -0.53 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 2doa s THR 64 Cb 0.00 -3.59 0.06 0.00 0.01 0.00 0.00 72.50 68.98 2doa s THR 64 CO 0.00 -0.39 0.26 0.00 -0.69 0.00 0.00 174.62 173.80 2doa s THR 66 N 1.50 5.43 0.81 0.00 -4.23 -1.14 -2.50 115.64 115.51 2doa s THR 66 Ca 0.03 0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.65 2doa s THR 66 Cb -0.22 -3.46 0.09 0.00 1.34 0.00 0.00 72.50 70.25 2doa s THR 66 CO 0.04 0.50 1.16 -0.22 -0.54 0.00 0.00 174.62 175.57 2doa s LEU 67 N -0.17 3.07 0.72 4.79 2.96 -1.26 0.01 118.68 128.80 2doa s LEU 67 Ca 0.11 2.20 -0.10 0.00 -0.22 0.00 0.00 54.13 56.12 2doa s LEU 67 Cb -0.12 -4.57 0.04 0.00 0.50 0.00 0.00 46.19 42.04 2doa s LEU 67 CO 0.01 -2.59 1.09 -1.10 -1.32 0.00 0.00 176.35 172.44 2doa s GLN 68 N -4.38 2.55 0.11 1.98 -0.21 -1.26 -4.74 119.66 113.71 2doa s GLN 68 Ca 0.69 0.23 0.04 0.00 0.02 0.00 0.00 55.36 56.34 2doa s GLN 68 Cb -0.24 -2.05 -0.22 0.00 1.00 0.00 0.00 33.01 31.50 2doa s GLN 68 CO 0.52 -1.17 1.26 -0.44 -2.12 0.00 0.00 175.29 173.34 2doa h ASP 69 N -0.70 0.10 0.56 5.90 5.19 -1.99 -3.26 116.42 122.21 2doa h ASP 69 Ca -0.45 -0.11 -0.28 0.00 -0.62 0.00 0.00 57.03 55.57 2doa h ASP 69 Cb 1.28 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 2doa h ASP 69 CO 0.64 1.07 -1.57 0.00 -3.12 0.00 0.00 179.24 176.26 2doa h MET 71 N 0.01 0.00 -0.38 0.00 2.86 -1.96 -1.77 114.93 113.70 2doa h MET 71 Ca -0.24 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2doa h MET 71 Cb 1.97 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.61 2doa h MET 71 CO 0.10 0.05 0.28 1.88 1.06 0.00 0.00 176.91 180.28 2doa h TYR 72 N 0.00 0.00 -0.02 -0.22 0.05 -1.67 0.76 116.97 115.88 2doa h TYR 72 Ca -0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 2doa h TYR 72 Cb 0.11 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2doa h TYR 72 CO 0.00 0.00 0.05 0.87 -1.05 0.00 0.00 178.16 178.03 2doa h LYS 73 N 0.00 0.00 -1.07 4.88 1.79 -1.55 -1.22 116.57 119.40 2doa h LYS 73 Ca 0.18 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.14 2doa h LYS 73 Cb 0.74 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.14 2doa h LYS 73 CO -0.00 0.00 0.66 -0.25 -1.08 0.00 0.00 179.45 178.78 2doa n ASP 74 N -3.48 5.50 -4.23 0.86 8.00 0.26 -4.87 116.55 118.59 2doa n ASP 74 Ca -0.02 -3.48 -0.36 0.00 0.71 0.00 0.00 54.79 51.64 2doa n ASP 74 Cb 0.13 -0.90 -0.13 0.00 -0.02 0.00 0.00 41.12 40.20 2doa n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2doa s VAL 75 N -3.47 3.26 0.48 2.53 1.01 -0.46 -4.94 120.40 118.81 2doa s VAL 75 Ca 0.52 -1.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 2doa s VAL 75 Cb 0.42 -2.76 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 2doa s VAL 75 CO 0.04 0.02 0.97 -1.10 0.00 0.00 0.00 175.10 175.04 2doa s GLN 76 N 1.35 4.07 -0.44 2.72 -0.21 -1.26 -4.97 119.66 120.92 2doa s GLN 76 Ca -0.01 1.04 0.04 0.00 0.02 0.00 0.00 55.36 56.45 2doa s GLN 76 Cb -0.18 -2.15 0.66 0.00 1.00 0.00 0.00 33.01 32.34 2doa s GLN 76 CO -0.01 -0.17 1.90 1.63 -2.12 0.00 0.00 175.29 176.53 2doa n LYS 77 N -1.15 2.28 -1.26 2.91 5.02 -1.26 -4.17 118.16 120.54 2doa n LYS 77 Ca 0.07 -2.97 0.04 0.00 -2.02 0.00 0.00 58.31 53.42 2doa n LYS 77 Cb 0.54 -2.17 0.03 0.00 -0.02 0.00 0.00 35.03 33.41 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2doa n ASP 78 N -1.10 0.89 -4.68 4.39 8.00 -1.26 -5.08 116.55 117.71 2doa n ASP 78 Ca 0.59 -2.13 -0.42 0.00 0.71 0.00 0.00 54.79 53.53 2doa n ASP 78 Cb 1.66 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 42.43 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2doa s TRP 79 N -0.23 2.59 0.56 1.24 -0.11 -1.26 -4.88 118.94 116.85 2doa s TRP 79 Ca 0.28 0.62 0.29 0.00 1.22 0.00 0.00 56.10 58.51 2doa s TRP 79 Cb 0.32 -3.76 1.46 0.00 -1.50 0.00 0.00 33.47 30.00 2doa s TRP 79 CO -0.13 -2.93 1.90 -1.35 -4.62 0.00 0.00 176.95 169.82 2doa h PRO 80 N 8.30 0.00 -1.00 5.86 0.11 -1.98 -0.78 132.00 142.51 2doa h PRO 80 Ca -0.38 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.77 2doa h PRO 80 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 2doa h PRO 80 CO 0.92 0.00 0.66 0.78 -0.21 0.00 0.00 178.00 180.15 2doa h GLY 81 N 0.00 1.48 -0.77 -0.55 0.00 -1.97 -3.43 103.07 97.82 2doa h GLY 81 Ca 0.30 -0.50 -0.46 0.00 0.00 0.00 0.00 47.33 46.68 2doa h GLY 81 CO -0.00 0.41 0.41 -0.19 0.00 0.00 0.00 176.54 177.17 2doa s TYR 82 N -6.07 2.11 0.27 5.60 2.02 -0.30 -4.99 117.35 115.99 2doa s TYR 82 Ca -0.13 0.47 0.00 0.00 -0.37 0.00 0.00 57.07 57.04 2doa s TYR 82 Cb 0.19 -3.87 0.00 0.00 -0.40 0.00 0.00 41.96 37.89 2doa s TYR 82 CO 0.82 -2.30 0.00 0.45 -1.57 0.00 0.00 175.55 172.94 2doa n SER 83 N -3.58 -2.39 0.02 2.29 2.88 -1.26 -4.96 113.62 106.62 2doa n SER 83 Ca 0.12 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.20 2doa n SER 83 Cb 0.60 2.42 0.00 0.00 -0.75 0.00 0.00 64.21 66.48 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doa n GLU 84 N -3.04 0.00 0.14 -1.46 1.02 -1.26 -4.81 120.64 111.23 2doa n GLU 84 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2doa n GLU 84 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.57 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2doa h GLY 85 N 0.00 0.00 1.37 0.62 0.00 -2.00 -3.15 103.07 99.92 2doa h GLY 85 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 2doa h GLY 85 CO 0.00 0.00 -1.44 -0.55 0.00 0.00 0.00 176.54 174.55 2doa h ASP 86 N 0.00 0.07 0.72 0.19 5.19 -1.94 -3.12 116.42 117.53 2doa h ASP 86 Ca -0.01 -0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.26 2doa h ASP 86 Cb 1.19 -0.02 0.01 0.00 0.18 0.00 0.00 39.33 40.69 2doa h ASP 86 CO 0.08 1.09 -0.34 1.56 -3.12 0.00 0.00 179.24 178.51 2doa h GLN 87 N 0.01 -0.93 -0.34 3.56 4.20 -1.87 0.25 115.11 120.00 2doa h GLN 87 Ca -0.18 0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 2doa h GLN 87 Cb 1.93 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.90 2doa h GLN 87 CO 0.11 -0.62 -0.04 1.96 -0.67 0.00 0.00 178.83 179.57 2doa h GLN 88 N -0.96 0.54 -0.05 1.46 1.08 -1.71 -2.11 115.11 113.35 2doa h GLN 88 Ca -0.10 -0.13 -0.10 0.00 -1.45 0.00 0.00 58.65 56.87 2doa h GLN 88 Cb 0.74 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 2doa h GLN 88 CO 0.16 0.60 -0.45 1.25 -0.95 0.00 0.00 178.83 179.44 2doa h LEU 89 N 0.51 0.12 -0.33 1.46 5.85 -1.44 -2.68 115.31 118.81 2doa h LEU 89 Ca 0.11 -0.05 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2doa h LEU 89 Cb 0.39 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 2doa h LEU 89 CO 0.02 0.56 -0.83 0.25 -0.34 0.00 0.00 178.44 178.09 2doa h LEU 90 N 0.10 0.36 0.04 2.25 5.85 0.03 -3.16 115.31 120.77 2doa h LEU 90 Ca 0.01 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2doa h LEU 90 Cb 0.83 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2doa h LEU 90 CO 0.06 1.04 -0.02 0.11 -0.34 0.00 0.00 178.44 179.30 2doa h LYS 91 N 0.17 -0.05 -0.23 1.25 1.79 -1.22 -1.71 116.57 116.58 2doa h LYS 91 Ca -0.04 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 2doa h LYS 91 Cb 1.43 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 2doa h LYS 91 CO 0.13 0.28 0.23 0.07 -1.08 0.00 0.00 179.45 179.07 2doa h ARG 92 N -0.38 0.00 0.09 3.15 0.11 -1.56 -0.53 114.38 115.27 2doa h ARG 92 Ca -0.01 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.96 2doa h ARG 92 Cb 0.35 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.44 2doa h ARG 92 CO 0.01 0.00 -0.50 0.28 0.10 0.00 0.00 179.97 179.86 2doa h VAL 93 N 0.00 1.62 -0.02 0.08 2.07 -1.47 -3.04 116.25 115.49 2doa h VAL 93 Ca 0.11 -2.47 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 2doa h VAL 93 Cb 0.56 3.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2doa h VAL 93 CO -0.00 0.68 0.01 -0.07 0.02 0.00 0.00 177.57 178.21 2doa h LEU 94 N -0.62 0.03 -1.54 2.57 3.38 -0.56 -2.05 115.31 116.54 2doa h LEU 94 Ca -0.09 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.82 2doa h LEU 94 Cb 1.40 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2doa h LEU 94 CO 0.09 0.12 0.36 0.58 0.09 0.00 0.00 178.44 179.68 2doa h VAL 95 N -0.07 1.05 -0.17 1.22 2.07 -1.28 0.55 116.25 119.62 2doa h VAL 95 Ca 0.01 -0.21 -0.12 0.00 0.82 0.00 0.00 66.70 67.20 2doa h VAL 95 Cb 0.10 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 2doa h VAL 95 CO -0.00 0.11 -0.41 -0.09 0.02 0.00 0.00 177.57 177.20 2doa h ARG 96 N 0.60 0.40 0.00 1.57 9.65 -1.36 -3.32 114.38 121.93 2doa h ARG 96 Ca 0.22 -0.20 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 2doa h ARG 96 Cb 0.13 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 2doa h ARG 96 CO -0.06 0.74 -0.33 0.87 2.80 0.00 0.00 179.97 183.99 2doa h LYS 97 N 0.33 0.00 -5.96 0.20 1.79 -0.54 -3.43 116.57 108.97 2doa h LYS 97 Ca 0.03 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.03 2doa h LYS 97 Cb 0.86 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.47 2doa h LYS 97 CO 0.07 0.51 1.24 -0.51 -1.08 0.00 0.00 179.45 179.68 2doa s LEU 98 N -8.26 3.26 -0.24 2.94 1.43 0.18 -4.89 118.68 113.10 2doa s LEU 98 Ca -0.14 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.02 2doa s LEU 98 Cb 0.01 -2.54 0.13 0.00 0.03 0.00 0.00 46.19 43.82 2doa s LEU 98 CO 0.37 -2.40 0.42 -0.44 0.23 0.00 0.00 176.35 174.53 2doa s SER 99 N 7.80 -0.11 0.00 2.29 0.01 -1.26 -4.72 113.70 117.71 2doa s SER 99 Ca 0.65 0.50 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2doa s SER 99 Cb -0.11 1.33 0.00 0.00 0.21 0.00 0.00 66.02 67.45 2doa s SER 99 CO 0.16 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.15 2doa n GLY 100 N 5.38 0.91 3.75 3.44 0.00 -1.26 -5.10 105.19 112.32 2doa n GLY 100 Ca -0.04 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.00 4.44 0.00 1.61 0.04 -1.26 -5.02 135.00 132.80 2doa s PRO 101 Ca 0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2doa s PRO 101 Cb 0.00 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2doa s PRO 101 CO 0.00 -0.12 0.36 -1.12 0.04 0.00 0.00 177.00 176.15 2doa s SER 102 N -0.21 6.69 -0.13 6.66 0.01 -1.26 -4.99 113.70 120.47 2doa s SER 102 Ca 0.51 0.82 0.10 0.00 1.31 0.00 0.00 55.95 58.69 2doa s SER 102 Cb -0.36 -2.20 -0.14 0.00 0.21 0.00 0.00 66.02 63.53 2doa s SER 102 CO 0.44 0.30 0.02 -1.54 0.41 0.00 0.00 173.24 172.86 2doa n SER 103 N 1.57 2.08 0.00 2.44 3.41 -1.26 -5.30 113.62 116.57 2doa n SER 103 Ca -0.13 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 2doa n SER 103 Cb 0.53 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49