#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 -5.91 -0.07 1.61 2.88 -1.26 -4.88 113.62 105.98 2doa n SER 2 Ca 0.00 -0.10 -0.19 0.00 -1.33 0.00 0.00 58.87 57.26 2doa n SER 2 Cb 0.00 -4.86 -0.13 0.00 -0.75 0.00 0.00 64.21 58.47 2doa n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2doa n SER 3 N -2.07 1.95 0.00 -3.46 7.64 -1.26 -5.08 113.62 111.34 2doa n SER 3 Ca -0.21 0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.69 2doa n SER 3 Cb 0.67 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 2.12 -1.37 3.56 0.23 0.00 -1.26 -5.15 105.19 103.33 2doa n GLY 4 Ca -0.39 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.00 0.54 0.00 1.61 0.15 -1.26 -5.07 113.70 105.66 2doa s SER 5 Ca 0.00 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.34 2doa s SER 5 Cb 0.00 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2doa s SER 5 CO 0.00 -1.33 0.00 -1.54 1.20 0.00 0.00 173.24 171.57 2doa n SER 6 N -1.18 0.00 0.00 5.45 3.41 -1.26 -5.06 113.62 114.98 2doa n SER 6 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2doa n SER 6 Cb 0.61 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.39 0.51 0.10 5.00 0.00 -1.26 -5.03 105.19 103.12 2doa n GLY 7 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 1.11 0.12 1.61 0.31 -1.26 -4.49 118.33 115.72 2doa n VAL 8 Ca 0.00 -0.43 0.03 0.00 -0.01 0.00 0.00 64.34 63.93 2doa n VAL 8 Cb 0.00 -1.18 0.40 0.00 -0.91 0.00 0.00 33.84 32.15 2doa n VAL 8 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2doa h SER 9 N 0.00 0.23 -0.06 4.52 0.02 -1.96 -2.16 113.55 114.14 2doa h SER 9 Ca -0.43 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 2doa h SER 9 Cb 1.67 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 64.15 2doa h SER 9 CO -0.07 0.37 0.01 1.56 -1.14 0.00 0.00 176.83 177.55 2doa h GLN 10 N 0.24 0.16 -7.30 3.45 4.20 -2.01 -3.43 115.11 110.42 2doa h GLN 10 Ca 0.05 -0.02 -0.51 0.00 0.06 0.00 0.00 58.65 58.24 2doa h GLN 10 Cb 0.34 -0.03 0.08 0.00 0.30 0.00 0.00 27.48 28.17 2doa h GLN 10 CO 0.02 0.18 0.37 1.03 -0.67 0.00 0.00 178.83 179.76 2doa s ARG 11 N -5.03 3.10 0.79 1.46 1.81 -0.81 -5.00 118.95 115.26 2doa s ARG 11 Ca -0.06 1.01 -0.15 0.00 -1.72 0.00 0.00 55.73 54.81 2doa s ARG 11 Cb 0.17 -2.01 -0.02 0.00 -0.45 0.00 0.00 34.95 32.63 2doa s ARG 11 CO 0.70 -0.98 0.46 -2.30 -0.68 0.00 0.00 175.30 172.50 2doa n PRO 12 N -2.79 0.14 0.12 3.54 -0.02 -1.26 -4.84 135.00 129.88 2doa n PRO 12 Ca 0.08 0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.63 2doa n PRO 12 Cb 0.53 -1.81 0.23 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.69 0.18 -0.50 6.00 3.57 -1.94 -2.80 116.94 120.76 2doa h PHE 13 Ca -0.45 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 60.87 2doa h PHE 13 Cb 1.33 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2doa h PHE 13 CO 0.35 0.59 -0.19 -0.09 -2.23 0.00 0.00 178.31 176.75 2doa h ARG 14 N 0.12 0.99 -0.15 1.11 9.65 -2.00 -2.63 114.38 121.47 2doa h ARG 14 Ca 0.01 -0.41 -0.09 0.00 -1.10 0.00 0.00 59.98 58.39 2doa h ARG 14 Cb 0.88 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.40 2doa h ARG 14 CO 0.07 1.08 -0.31 -0.44 2.80 0.00 0.00 179.97 183.18 2doa h ASP 15 N 0.86 0.30 0.61 -3.80 3.32 -1.89 0.16 116.42 115.99 2doa h ASP 15 Ca 0.12 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2doa h ASP 15 Cb 0.76 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.23 2doa h ASP 15 CO 0.06 0.60 -0.29 0.03 -1.72 0.00 0.00 179.24 177.92 2doa h ARG 16 N 0.26 -0.79 -0.17 3.56 3.08 -1.31 -2.23 114.38 116.78 2doa h ARG 16 Ca 0.04 0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 2doa h ARG 16 Cb 0.68 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 2doa h ARG 16 CO 0.05 -0.48 -0.17 0.28 -1.07 0.00 0.00 179.97 178.58 2doa h VAL 17 N -1.11 1.21 0.10 2.04 2.07 -1.50 -2.90 116.25 116.16 2doa h VAL 17 Ca -0.08 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2doa h VAL 17 Cb 0.67 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.71 2doa h VAL 17 CO 0.14 0.30 -0.05 0.25 0.02 0.00 0.00 177.57 178.22 2doa h LEU 18 N 0.27 -0.13 -1.85 2.57 5.85 -0.95 -2.14 115.31 118.94 2doa h LEU 18 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2doa h LEU 18 Cb 0.47 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2doa h LEU 18 CO 0.03 -0.09 0.07 0.45 -0.34 0.00 0.00 178.44 178.56 2doa h HIS 19 N -0.14 0.16 0.14 1.25 3.86 -1.27 -1.33 115.15 117.82 2doa h HIS 19 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2doa h HIS 19 Cb 0.12 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.53 2doa h HIS 19 CO -0.08 0.12 -0.07 -0.07 0.86 0.00 0.00 177.93 178.69 2doa h LEU 20 N 0.17 -0.16 -1.42 2.43 3.38 -1.21 -2.88 115.31 115.62 2doa h LEU 20 Ca 0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2doa h LEU 20 Cb 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2doa h LEU 20 CO -0.01 0.07 -0.29 -0.07 0.09 0.00 0.00 178.44 178.24 2doa h LEU 21 N -0.39 0.00 -0.31 1.67 3.38 -1.04 -2.98 115.31 115.63 2doa h LEU 21 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2doa h LEU 21 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2doa h LEU 21 CO 0.03 0.29 0.14 0.00 0.09 0.00 0.00 178.44 178.99 2doa h ALA 22 N 1.71 0.37 0.47 1.53 0.00 -1.05 -3.01 119.26 119.28 2doa h ALA 22 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2doa h ALA 22 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2doa h ALA 22 CO 0.04 -0.25 -0.23 -0.07 0.00 0.00 0.00 179.25 178.74 2doa h LEU 23 N 0.29 -0.53 -7.05 0.00 3.38 -1.36 -3.47 115.31 106.57 2doa h LEU 23 Ca 0.13 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.21 2doa h LEU 23 Cb 0.07 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 40.82 2doa h LEU 23 CO -0.11 -0.38 0.44 0.00 0.09 0.00 0.00 178.44 178.48 2doa s ARG 24 N -6.07 0.93 0.06 1.13 1.70 -1.14 -4.94 118.95 110.61 2doa s ARG 24 Ca -0.16 -0.36 -0.35 0.00 -0.47 0.00 0.00 55.73 54.39 2doa s ARG 24 Cb 0.04 0.42 -0.15 0.00 -0.57 0.00 0.00 34.95 34.69 2doa s ARG 24 CO 0.63 -0.41 1.57 -2.30 -1.08 0.00 0.00 175.30 173.71 2doa n PRO 25 N -0.28 1.74 -4.02 3.89 -0.02 -1.26 -4.26 135.00 130.80 2doa n PRO 25 Ca -0.10 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 2doa n PRO 25 Cb 0.62 -2.37 -0.16 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.53 2.53 1.33 6.00 2.02 -0.61 -4.85 117.35 125.30 2doa s TYR 26 Ca 0.85 -1.66 -0.19 0.00 -0.37 0.00 0.00 57.07 55.70 2doa s TYR 26 Cb -0.81 -1.70 0.34 0.00 -0.40 0.00 0.00 41.96 39.40 2doa s TYR 26 CO 0.45 -0.76 0.97 1.03 -1.57 0.00 0.00 175.55 175.67 2doa s ARG 27 N 1.36 -2.20 0.10 -0.62 0.52 -1.26 -2.94 118.95 113.91 2doa s ARG 27 Ca -0.01 0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 55.43 2doa s ARG 27 Cb -0.16 -1.44 -0.07 0.00 0.52 0.00 0.00 34.95 33.80 2doa s ARG 27 CO -0.08 -4.45 1.46 0.87 0.02 0.00 0.00 175.30 173.11 2doa h LYS 28 N -3.13 0.66 -0.07 3.54 1.79 -1.95 -0.22 116.57 117.19 2doa h LYS 28 Ca -0.51 -0.30 -0.13 0.00 -2.18 0.00 0.00 60.65 57.53 2doa h LYS 28 Cb 1.34 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.98 2doa h LYS 28 CO 0.37 0.89 -0.48 0.00 -1.08 0.00 0.00 179.45 179.15 2doa h ALA 29 N 0.75 0.15 -0.75 3.86 0.00 -1.93 -1.24 119.26 120.10 2doa h ALA 29 Ca 0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2doa h ALA 29 Cb 0.70 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2doa h ALA 29 CO 0.05 0.32 0.26 1.49 0.00 0.00 0.00 179.25 181.37 2doa h GLU 30 N -0.02 1.15 0.00 0.00 4.22 -1.92 -1.94 114.58 116.07 2doa h GLU 30 Ca -0.04 -0.23 -0.16 0.00 0.08 0.00 0.00 59.36 59.02 2doa h GLU 30 Cb 1.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.19 2doa h GLU 30 CO 0.10 0.96 -0.74 1.25 -2.18 0.00 0.00 179.01 178.39 2doa h LEU 31 N 1.11 0.00 -0.63 1.64 5.85 -1.08 -2.68 115.31 119.51 2doa h LEU 31 Ca 0.25 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2doa h LEU 31 Cb 0.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2doa h LEU 31 CO -0.01 0.74 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.49 2doa h LEU 32 N 0.00 0.81 -0.19 2.25 3.38 -0.82 -2.49 115.31 118.24 2doa h LEU 32 Ca -0.01 -0.31 -0.22 0.00 0.09 0.00 0.00 57.88 57.43 2doa h LEU 32 Cb 1.31 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.85 2doa h LEU 32 CO 0.10 1.03 -0.78 -0.07 0.09 0.00 0.00 178.44 178.81 2doa h LEU 33 N 0.68 0.87 0.33 1.67 3.38 -1.35 -2.90 115.31 117.99 2doa h LEU 33 Ca 0.09 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2doa h LEU 33 Cb 0.79 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2doa h LEU 33 CO 0.07 1.37 -0.18 -0.09 0.09 0.00 0.00 178.44 179.70 2doa h ARG 34 N 0.49 -0.45 -0.18 1.13 1.12 -1.41 -2.33 114.38 112.75 2doa h ARG 34 Ca -0.05 0.03 0.03 0.00 -1.11 0.00 0.00 59.98 58.88 2doa h ARG 34 Cb 1.41 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 31.46 2doa h ARG 34 CO 0.16 -0.30 0.12 -0.07 -3.11 0.00 0.00 179.97 176.77 2doa h LEU 35 N -0.47 0.07 -2.06 3.80 3.38 -1.53 -0.80 115.31 117.71 2doa h LEU 35 Ca -0.04 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 35 Cb 0.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2doa h LEU 35 CO 0.06 0.05 0.03 1.56 0.09 0.00 0.00 178.44 180.23 2doa h GLN 36 N 0.08 0.00 -0.71 1.13 4.20 -1.20 -0.86 115.11 117.75 2doa h GLN 36 Ca 0.08 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.81 2doa h GLN 36 Cb 0.21 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 2doa h GLN 36 CO -0.01 0.00 0.46 0.87 -0.67 0.00 0.00 178.83 179.48 2doa h LYS 37 N 0.00 0.88 0.08 1.46 1.57 -1.05 -2.78 116.57 116.73 2doa h LYS 37 Ca 0.02 -0.05 -0.27 0.00 -1.87 0.00 0.00 60.65 58.48 2doa h LYS 37 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2doa h LYS 37 CO -0.00 0.58 -1.31 -0.44 -0.57 0.00 0.00 179.45 177.71 2doa h ASP 38 N 0.91 0.26 0.00 0.86 5.19 -1.50 -3.48 116.42 118.67 2doa h ASP 38 Ca 0.27 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 2doa h ASP 38 Cb -0.04 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.39 2doa h ASP 38 CO -0.09 1.26 0.00 0.61 -3.12 0.00 0.00 179.24 177.90 2doa n GLY 39 N 1.53 0.36 3.41 2.75 0.00 -0.40 -4.97 105.19 107.86 2doa n GLY 39 Ca -0.09 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 4.35 0.00 0.99 2.96 -1.17 -4.88 118.68 120.94 2doa s LEU 40 Ca 0.00 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 2doa s LEU 40 Cb 0.00 -2.01 0.13 0.00 0.50 0.00 0.00 46.19 44.81 2doa s LEU 40 CO 0.00 -0.27 0.89 1.07 -1.32 0.00 0.00 176.35 176.72 2doa n THR 41 N 4.99 0.00 -0.11 3.68 5.66 -1.26 -4.84 114.28 122.40 2doa n THR 41 Ca -0.13 -1.44 -0.02 0.00 -3.05 0.00 0.00 64.05 59.41 2doa n THR 41 Cb 0.48 -0.92 0.21 0.00 -1.55 0.00 0.00 70.33 68.55 2doa n THR 41 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2doa h GLN 42 N 0.00 0.78 -0.42 1.09 -0.00 -1.98 0.13 115.11 114.71 2doa h GLN 42 Ca -0.29 -0.15 -0.04 0.00 -0.00 0.00 0.00 58.65 58.16 2doa h GLN 42 Cb 1.10 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.44 2doa h GLN 42 CO 0.32 0.70 0.10 0.00 0.00 0.00 0.00 178.83 179.95 2doa h ALA 43 N 1.38 1.39 0.02 3.38 0.00 -2.00 -2.54 119.26 120.89 2doa h ALA 43 Ca 0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2doa h ALA 43 Cb 0.28 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2doa h ALA 43 CO -0.00 0.44 -1.40 -0.44 0.00 0.00 0.00 179.25 177.85 2doa h ASP 44 N 0.60 0.06 -0.87 0.00 3.32 -1.81 -2.89 116.42 114.83 2doa h ASP 44 Ca 0.14 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.10 2doa h ASP 44 Cb 0.24 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2doa h ASP 44 CO -0.00 1.08 0.58 0.11 -1.72 0.00 0.00 179.24 179.28 2doa h LYS 45 N 0.01 1.15 0.16 3.56 1.57 -0.44 -0.43 116.57 122.14 2doa h LYS 45 Ca -0.17 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.23 2doa h LYS 45 Cb 1.92 -0.26 0.01 0.00 0.08 0.00 0.00 32.23 33.97 2doa h LYS 45 CO 0.11 0.76 -1.52 0.22 -0.57 0.00 0.00 179.45 178.45 2doa h ASP 46 N 1.18 0.52 0.26 0.86 3.58 -1.58 -3.30 116.42 117.94 2doa h ASP 46 Ca 0.32 -0.66 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 2doa h ASP 46 Cb -0.14 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.74 2doa h ASP 46 CO -0.07 1.54 -0.14 0.00 -2.88 0.00 0.00 179.24 177.70 2doa h ALA 47 N 0.38 1.46 -0.62 -0.78 0.00 -1.27 -2.76 119.26 115.67 2doa h ALA 47 Ca -0.25 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2doa h ALA 47 Cb 2.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.77 2doa h ALA 47 CO 0.19 0.17 0.34 1.25 0.00 0.00 0.00 179.25 181.20 2doa h LEU 48 N 0.00 0.50 -0.08 0.00 5.85 -1.16 0.16 115.31 120.58 2doa h LEU 48 Ca -0.00 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2doa h LEU 48 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2doa h LEU 48 CO 0.02 0.33 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.65 2doa h ASP 49 N 0.64 -0.07 0.58 1.25 1.82 -1.66 0.21 116.42 119.19 2doa h ASP 49 Ca 0.28 0.02 -0.06 0.00 -0.39 0.00 0.00 57.03 56.88 2doa h ASP 49 Cb 0.16 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.21 2doa h ASP 49 CO -0.17 -0.03 -0.30 1.23 -1.61 0.00 0.00 179.24 178.37 2doa h GLY 50 N -0.00 0.00 0.20 -0.78 0.00 -1.54 -2.36 103.07 98.59 2doa h GLY 50 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2doa h GLY 50 CO -0.08 0.00 -0.01 -2.00 0.00 0.00 0.00 176.54 174.45 2doa h LEU 51 N 0.00 -0.03 -1.69 3.11 5.85 -0.08 -3.04 115.31 119.43 2doa h LEU 51 Ca -0.00 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.01 2doa h LEU 51 Cb 0.67 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2doa h LEU 51 CO 0.04 0.73 0.20 -0.07 -0.34 0.00 0.00 178.44 179.00 2doa h LEU 52 N -0.83 0.35 -1.19 2.25 3.38 -0.60 0.64 115.31 119.31 2doa h LEU 52 Ca -0.00 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2doa h LEU 52 Cb 0.73 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2doa h LEU 52 CO 0.01 0.26 -0.29 1.56 0.09 0.00 0.00 178.44 180.07 2doa h GLN 53 N 0.42 0.00 0.00 1.13 1.08 -1.49 0.12 115.11 116.37 2doa h GLN 53 Ca 0.11 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 56.97 2doa h GLN 53 Cb -0.04 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 2doa h GLN 53 CO -0.02 0.29 -1.93 1.04 -0.95 0.00 0.00 178.83 177.25 2doa n GLN 54 N -3.56 0.57 -1.07 1.46 1.13 -0.34 -4.43 117.38 111.15 2doa n GLN 54 Ca -0.01 0.39 -0.21 0.00 -1.94 0.00 0.00 57.00 55.24 2doa n GLN 54 Cb 0.43 -1.60 0.15 0.00 0.11 0.00 0.00 30.24 29.33 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 -4.34 2.94 -3.60 5.09 0.24 0.21 -4.93 118.33 113.93 2doa n VAL 55 Ca -0.43 -1.71 0.01 0.00 -2.04 0.00 0.00 64.34 60.17 2doa n VAL 55 Cb 0.78 -0.57 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 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 -2.88 -2.29 0.41 2.33 0.00 0.42 -4.46 121.76 115.30 2doa s ALA 56 Ca 0.50 1.06 0.02 0.00 0.00 0.00 0.00 51.96 53.53 2doa s ALA 56 Cb 0.42 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.71 2doa s ALA 56 CO 0.09 -0.92 0.13 0.09 0.00 0.00 0.00 175.76 175.14 2doa n ASN 57 N -0.37 2.82 -4.08 0.00 3.02 -0.41 -4.07 115.26 112.16 2doa n ASN 57 Ca -0.06 -2.65 -0.12 0.00 -0.03 0.00 0.00 54.58 51.72 2doa n ASN 57 Cb 0.62 0.16 -0.11 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 -3.58 0.59 0.35 3.52 1.75 -1.26 -3.02 119.30 117.64 2doa s MET 58 Ca 0.10 -0.89 0.07 0.00 -1.25 0.00 0.00 55.69 53.72 2doa s MET 58 Cb -0.01 -0.24 -0.01 0.00 2.84 0.00 0.00 34.83 37.41 2doa s MET 58 CO 0.06 0.03 0.45 0.45 -0.65 0.00 0.00 175.02 175.36 2doa s SER 59 N -1.93 5.77 -0.38 1.11 0.15 -1.14 -5.00 113.70 112.27 2doa s SER 59 Ca -0.05 -0.30 0.05 0.00 0.70 0.00 0.00 55.95 56.35 2doa s SER 59 Cb -0.06 -1.07 0.45 0.00 -1.71 0.00 0.00 66.02 63.63 2doa s SER 59 CO -0.01 -0.48 1.34 0.00 1.20 0.00 0.00 173.24 175.29 2doa n ALA 60 N -1.62 5.28 0.03 5.45 0.00 -1.26 -4.17 120.51 124.21 2doa n ALA 60 Ca 0.01 -3.82 0.00 0.00 0.00 0.00 0.00 53.44 49.63 2doa n ALA 60 Cb 0.59 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2doa n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2doa n LYS 61 N -0.71 0.00 -0.08 0.00 5.02 -1.26 -4.98 118.16 116.15 2doa n LYS 61 Ca 0.47 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.65 2doa n LYS 61 Cb 0.86 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.80 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2doa n ASP 62 N -2.65 2.76 0.00 4.39 9.92 -1.26 -5.04 116.55 124.67 2doa n ASP 62 Ca 0.00 -0.08 0.00 0.00 -0.53 0.00 0.00 54.79 54.18 2doa n ASP 62 Cb 0.00 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.23 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2doa n GLY 63 N 2.75 1.80 3.89 0.44 0.00 -1.26 -5.05 105.19 107.75 2doa n GLY 63 Ca -0.27 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 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 4.84 -0.24 2.61 2.01 -1.26 -4.27 115.64 117.33 2doa s THR 64 Ca 0.00 0.45 -0.06 0.00 0.31 0.00 0.00 61.69 62.39 2doa s THR 64 Cb 0.00 -3.76 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2doa s THR 64 CO 0.00 -0.58 0.04 0.00 -0.69 0.00 0.00 174.62 173.40 2doa s THR 66 N 1.56 4.20 0.29 0.00 -4.23 -1.17 -1.57 115.64 114.72 2doa s THR 66 Ca 0.06 -0.42 -0.28 0.00 -1.18 0.00 0.00 61.69 59.87 2doa s THR 66 Cb -0.15 -2.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 2doa s THR 66 CO 0.02 0.50 1.00 -0.22 -0.54 0.00 0.00 174.62 175.38 2doa s LEU 67 N -1.18 4.48 0.48 4.79 2.96 -1.26 -1.29 118.68 127.65 2doa s LEU 67 Ca 0.16 2.02 -0.22 0.00 -0.22 0.00 0.00 54.13 55.87 2doa s LEU 67 Cb -0.11 -3.79 -0.07 0.00 0.50 0.00 0.00 46.19 42.72 2doa s LEU 67 CO 0.06 -0.06 1.14 -1.10 -1.32 0.00 0.00 176.35 175.07 2doa s GLN 68 N -1.64 3.67 0.51 1.98 -0.21 -1.26 -4.92 119.66 117.79 2doa s GLN 68 Ca 0.46 1.69 0.16 0.00 0.02 0.00 0.00 55.36 57.69 2doa s GLN 68 Cb -0.25 -2.29 1.23 0.00 1.00 0.00 0.00 33.01 32.70 2doa s GLN 68 CO 0.32 -0.60 2.13 -0.44 -2.12 0.00 0.00 175.29 174.58 2doa h ASP 69 N 1.82 0.02 0.49 5.90 5.19 -1.95 -2.12 116.42 125.76 2doa h ASP 69 Ca -0.49 -0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 55.61 2doa h ASP 69 Cb 1.25 -0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.76 2doa h ASP 69 CO 0.59 0.03 -1.40 0.00 -3.12 0.00 0.00 179.24 175.35 2doa h MET 71 N 0.09 0.00 -0.27 0.00 2.86 -1.76 -1.28 114.93 114.56 2doa h MET 71 Ca -0.20 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.52 2doa h MET 71 Cb 2.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.68 2doa h MET 71 CO 0.21 0.00 0.26 1.88 1.06 0.00 0.00 176.91 180.31 2doa h TYR 72 N 0.00 0.00 -0.01 -0.22 0.05 -1.55 0.40 116.97 115.64 2doa h TYR 72 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2doa h TYR 72 Cb 0.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 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 -1.05 4.88 1.79 -1.44 -1.04 116.57 119.72 2doa h LYS 73 Ca 0.13 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.13 2doa h LYS 73 Cb 0.64 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.04 2doa h LYS 73 CO -0.00 0.00 0.60 -0.25 -1.08 0.00 0.00 179.45 178.72 2doa n ASP 74 N -3.22 4.67 -4.14 0.86 8.00 0.13 -4.80 116.55 118.04 2doa n ASP 74 Ca -0.03 -3.39 -0.38 0.00 0.71 0.00 0.00 54.79 51.70 2doa n ASP 74 Cb 0.13 -0.85 -0.09 0.00 -0.02 0.00 0.00 41.12 40.30 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 -3.09 4.00 0.63 2.53 1.01 -0.40 -4.93 120.40 120.16 2doa s VAL 75 Ca 0.49 -2.67 -0.19 0.00 0.00 0.00 0.00 61.98 59.62 2doa s VAL 75 Cb 0.40 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2doa s VAL 75 CO 0.06 -0.87 1.31 -1.10 0.00 0.00 0.00 175.10 174.50 2doa s GLN 76 N 0.25 2.62 -0.38 2.72 -0.21 -1.26 -4.91 119.66 118.49 2doa s GLN 76 Ca 0.15 2.11 0.05 0.00 0.02 0.00 0.00 55.36 57.68 2doa s GLN 76 Cb -0.20 -1.90 0.63 0.00 1.00 0.00 0.00 33.01 32.54 2doa s GLN 76 CO -0.04 -1.56 1.81 1.63 -2.12 0.00 0.00 175.29 175.01 2doa n LYS 77 N -1.79 2.47 -1.32 2.91 5.02 -1.26 -4.10 118.16 120.09 2doa n LYS 77 Ca 0.15 -2.75 0.03 0.00 -2.02 0.00 0.00 58.31 53.72 2doa n LYS 77 Cb 0.48 -2.09 0.01 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 -0.78 0.79 -4.73 4.39 9.92 -1.26 -5.10 116.55 119.77 2doa n ASP 78 Ca 0.51 -2.00 -0.42 0.00 -0.53 0.00 0.00 54.79 52.35 2doa n ASP 78 Cb 1.51 -0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 41.69 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 2doa s TRP 79 N 0.00 3.14 -1.72 1.24 -0.11 -1.26 -4.90 118.94 115.33 2doa s TRP 79 Ca 0.28 1.01 0.26 0.00 1.22 0.00 0.00 56.10 58.86 2doa s TRP 79 Cb 0.32 -3.74 1.44 0.00 -1.50 0.00 0.00 33.47 29.99 2doa s TRP 79 CO -0.14 -2.49 1.90 -0.35 -4.62 0.00 0.00 176.95 171.25 2doa n PRO 80 N 3.01 0.61 0.10 5.86 -0.04 -1.26 -3.51 135.00 139.76 2doa n PRO 80 Ca 0.09 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.34 2doa n PRO 80 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 2doa n PRO 80 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2doa h GLY 81 N 4.19 0.48 -0.47 0.55 0.00 -1.91 -3.46 103.07 102.45 2doa h GLY 81 Ca 0.00 -1.23 -0.21 0.00 0.00 0.00 0.00 47.33 45.89 2doa h GLY 81 CO 0.00 1.08 0.08 -1.72 0.00 0.00 0.00 176.54 175.98 2doa n TYR 82 N -3.91 -3.54 0.00 5.60 4.01 -1.23 -5.04 117.16 113.05 2doa n TYR 82 Ca -0.16 -0.54 0.00 0.00 -0.16 0.00 0.00 57.90 57.04 2doa n TYR 82 Cb 0.97 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 2doa n TYR 82 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2doa n SER 83 N -3.92 0.00 0.12 7.72 7.64 -1.26 -5.01 113.62 118.90 2doa n SER 83 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2doa n SER 83 Cb 0.31 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2doa n GLU 84 N -2.08 0.00 0.09 1.43 1.02 -1.26 -4.74 120.64 115.10 2doa n GLU 84 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 2doa n GLU 84 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 31.44 31.84 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 0.35 1.31 0.62 0.00 -2.01 -2.35 103.07 101.00 2doa h GLY 85 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 47.33 46.88 2doa h GLY 85 CO 0.00 0.17 -1.48 -0.55 0.00 0.00 0.00 176.54 174.68 2doa h ASP 86 N 0.33 0.09 -0.61 0.19 5.19 -1.97 -3.23 116.42 116.42 2doa h ASP 86 Ca 0.08 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 2doa h ASP 86 Cb 0.19 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 2doa h ASP 86 CO 0.00 1.13 0.36 1.56 -3.12 0.00 0.00 179.24 179.17 2doa h GLN 87 N 0.02 0.84 -0.44 3.56 4.20 -1.77 0.52 115.11 122.03 2doa h GLN 87 Ca -0.20 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.29 2doa h GLN 87 Cb 1.94 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 29.54 2doa h GLN 87 CO 0.11 0.61 -0.24 1.96 -0.67 0.00 0.00 178.83 180.60 2doa h GLN 88 N 0.83 0.94 0.00 1.46 1.08 -1.57 -2.91 115.11 114.94 2doa h GLN 88 Ca 0.22 -0.43 -0.07 0.00 -1.45 0.00 0.00 58.65 56.92 2doa h GLN 88 Cb -0.00 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2doa h GLN 88 CO -0.04 1.09 -0.35 1.25 -0.95 0.00 0.00 178.83 179.83 2doa h LEU 89 N 0.78 0.00 -1.33 1.46 5.85 -1.50 -2.59 115.31 117.97 2doa h LEU 89 Ca 0.09 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 2doa h LEU 89 Cb 0.82 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2doa h LEU 89 CO 0.07 0.35 -0.33 0.25 -0.34 0.00 0.00 178.44 178.44 2doa h LEU 90 N 0.00 0.00 0.04 2.25 5.85 -0.70 -2.86 115.31 119.89 2doa h LEU 90 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2doa h LEU 90 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2doa h LEU 90 CO 0.05 0.33 -0.02 0.11 -0.34 0.00 0.00 178.44 178.56 2doa h LYS 91 N 0.00 -0.05 -0.07 1.25 1.57 -1.39 -2.60 116.57 115.29 2doa h LYS 91 Ca -0.00 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2doa h LYS 91 Cb 0.63 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 2doa h LYS 91 CO 0.04 0.46 0.07 0.07 -0.57 0.00 0.00 179.45 179.52 2doa h ARG 92 N -0.58 0.00 -0.04 3.15 0.11 -1.53 -2.15 114.38 113.33 2doa h ARG 92 Ca -0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2doa h ARG 92 Cb 0.53 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.61 2doa h ARG 92 CO 0.01 0.00 -0.32 0.28 0.10 0.00 0.00 179.97 180.03 2doa h VAL 93 N 0.00 1.45 -0.09 0.08 2.07 -1.44 0.22 116.25 118.54 2doa h VAL 93 Ca 0.03 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2doa h VAL 93 Cb 0.16 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2doa h VAL 93 CO -0.00 0.51 0.06 -0.07 0.02 0.00 0.00 177.57 178.09 2doa h LEU 94 N -0.24 0.09 0.07 2.57 3.38 -1.00 0.74 115.31 120.93 2doa h LEU 94 Ca -0.03 -0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2doa h LEU 94 Cb 1.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 2doa h LEU 94 CO 0.07 0.07 -1.43 0.58 0.09 0.00 0.00 178.44 177.81 2doa h VAL 95 N 0.11 0.94 -0.36 1.22 2.07 -1.45 -2.76 116.25 116.02 2doa h VAL 95 Ca 0.04 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.24 2doa h VAL 95 Cb 0.01 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 2doa h VAL 95 CO -0.01 0.61 0.22 0.03 0.02 0.00 0.00 177.57 178.45 2doa h ARG 96 N -0.48 0.48 0.00 1.57 2.47 -0.34 -3.10 114.38 114.98 2doa h ARG 96 Ca -0.33 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.35 2doa h ARG 96 Cb 1.64 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.85 2doa h ARG 96 CO -0.03 0.33 -0.02 0.87 0.56 0.00 0.00 179.97 181.69 2doa h LYS 97 N 0.50 0.00 -6.52 0.04 1.79 -1.00 -3.41 116.57 107.96 2doa h LYS 97 Ca 0.13 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.04 2doa h LYS 97 Cb -0.03 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.56 2doa h LYS 97 CO -0.03 0.51 1.06 -0.51 -1.08 0.00 0.00 179.45 179.40 2doa s LEU 98 N -8.38 3.53 -0.02 2.94 1.43 -1.04 -4.51 118.68 112.63 2doa s LEU 98 Ca -0.10 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2doa s LEU 98 Cb -0.01 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.84 2doa s LEU 98 CO 0.35 -1.50 0.05 -1.20 0.23 0.00 0.00 176.35 174.28 2doa n SER 99 N 8.93 -7.50 0.00 2.29 7.64 -1.26 -4.69 113.62 119.02 2doa n SER 99 Ca 0.14 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.73 2doa n SER 99 Cb 0.49 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.58 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doa n GLY 100 N 1.75 -0.35 3.56 0.23 0.00 -1.26 -4.71 105.19 104.41 2doa n GLY 100 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -1.67 0.15 1.61 0.04 -1.26 -4.96 135.00 128.91 2doa s PRO 101 Ca 0.00 -0.17 -0.12 0.00 0.04 0.00 0.00 61.00 60.75 2doa s PRO 101 Cb 0.00 -1.55 0.02 0.00 0.04 0.00 0.00 34.50 33.01 2doa s PRO 101 CO 0.00 -3.99 1.61 1.03 0.04 0.00 0.00 177.00 175.69 2doa h SER 102 N -2.78 0.87 -2.04 6.66 0.87 -2.05 -3.48 113.55 111.60 2doa h SER 102 Ca -0.43 -0.30 0.16 0.00 -1.23 0.00 0.00 61.79 59.99 2doa h SER 102 Cb 1.29 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.97 2doa h SER 102 CO 0.29 0.97 -0.22 -1.20 -0.53 0.00 0.00 176.83 176.13 2doa n SER 103 N -4.32 -6.89 0.00 6.23 7.64 -1.26 -5.21 113.62 109.81 2doa n SER 103 Ca 0.01 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.54 2doa n SER 103 Cb 0.32 -1.82 0.00 0.00 -1.01 0.00 0.00 64.21 61.70 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64