#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 4.11 -0.58 1.61 0.15 -1.26 -4.92 113.70 112.81 2doa s SER 2 Ca 0.00 -1.88 -0.02 0.00 0.70 0.00 0.00 55.95 54.75 2doa s SER 2 Cb 0.00 -1.03 0.37 0.00 -1.71 0.00 0.00 66.02 63.66 2doa s SER 2 CO 0.00 -0.39 2.05 -0.24 1.20 0.00 0.00 173.24 175.86 2doa n SER 3 N 4.54 7.36 0.00 5.45 2.88 -1.08 -4.35 113.62 128.42 2doa n SER 3 Ca 0.01 -3.59 0.00 0.00 -1.33 0.00 0.00 58.87 53.96 2doa n SER 3 Cb 0.41 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 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 -0.53 0.16 2.55 0.46 0.00 -1.26 -4.59 105.19 101.99 2doa n GLY 4 Ca 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 2doa n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2doa n SER 5 N -1.10 -6.12 0.00 1.61 2.88 -1.26 -5.00 113.62 104.62 2doa n SER 5 Ca 0.00 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2doa n SER 5 Cb 0.00 -4.84 0.00 0.00 -0.75 0.00 0.00 64.21 58.62 2doa n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2doa n SER 6 N 0.78 0.00 0.00 -3.46 3.41 -1.26 -5.05 113.62 108.04 2doa n SER 6 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2doa n SER 6 Cb 0.10 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.46 0.85 0.25 5.00 0.00 -1.26 -4.99 105.19 103.59 2doa n GLY 7 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2doa n GLY 7 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2doa h VAL 8 N 0.00 1.09 -0.95 1.61 2.07 -1.94 -2.29 116.25 115.84 2doa h VAL 8 Ca 0.00 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2doa h VAL 8 Cb 0.00 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2doa h VAL 8 CO 0.00 0.12 0.63 -1.28 0.02 0.00 0.00 177.57 177.06 2doa h SER 9 N 0.13 1.10 -0.26 0.57 0.87 -1.93 -2.26 113.55 111.77 2doa h SER 9 Ca 0.03 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2doa h SER 9 Cb 0.17 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 2doa h SER 9 CO 0.01 0.80 -0.19 1.56 -0.53 0.00 0.00 176.83 178.48 2doa h GLN 10 N 1.29 0.71 -7.18 2.24 7.50 -1.77 -3.44 115.11 114.46 2doa h GLN 10 Ca 0.35 -0.26 -0.53 0.00 0.50 0.00 0.00 58.65 58.71 2doa h GLN 10 Cb -0.14 -0.05 0.14 0.00 0.05 0.00 0.00 27.48 27.48 2doa h GLN 10 CO -0.07 0.85 0.39 1.03 -1.50 0.00 0.00 178.83 179.53 2doa s ARG 11 N -4.66 2.41 0.94 1.46 1.81 -0.85 -5.00 118.95 115.07 2doa s ARG 11 Ca -0.09 1.65 -0.11 0.00 -1.72 0.00 0.00 55.73 55.46 2doa s ARG 11 Cb 0.13 -1.88 0.16 0.00 -0.45 0.00 0.00 34.95 32.91 2doa s ARG 11 CO 0.82 -1.60 1.09 -1.25 -0.68 0.00 0.00 175.30 173.68 2doa s PRO 12 N -3.91 0.86 0.19 3.54 0.04 -1.26 -4.91 135.00 129.54 2doa s PRO 12 Ca 0.72 1.07 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 2doa s PRO 12 Cb -0.26 -1.74 0.12 0.00 0.04 0.00 0.00 34.50 32.65 2doa s PRO 12 CO 0.43 -2.59 1.50 0.35 0.04 0.00 0.00 177.00 176.73 2doa h PHE 13 N -1.81 0.66 -0.08 0.56 3.57 -1.94 -2.90 116.94 114.99 2doa h PHE 13 Ca -0.50 -0.24 0.02 0.00 3.53 0.00 0.00 57.97 60.78 2doa h PHE 13 Cb 1.28 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 2doa h PHE 13 CO 0.43 0.97 0.06 -0.09 -2.23 0.00 0.00 178.31 177.45 2doa h ARG 14 N 0.40 0.03 0.19 1.11 2.43 -2.00 -1.88 114.38 114.66 2doa h ARG 14 Ca 0.00 -0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.86 2doa h ARG 14 Cb 1.11 -0.01 0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2doa h ARG 14 CO 0.10 0.02 -1.36 -0.44 -1.51 0.00 0.00 179.97 176.79 2doa h ASP 15 N 0.04 0.67 -0.98 -3.80 3.32 -1.90 -1.63 116.42 112.14 2doa h ASP 15 Ca 0.04 -0.71 0.01 0.00 0.02 0.00 0.00 57.03 56.39 2doa h ASP 15 Cb 0.10 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 2doa h ASP 15 CO -0.00 1.55 0.64 0.03 -1.72 0.00 0.00 179.24 179.74 2doa h ARG 16 N 0.13 1.30 0.03 3.56 3.08 -1.17 0.39 114.38 121.70 2doa h ARG 16 Ca -0.20 -0.09 -0.25 0.00 0.07 0.00 0.00 59.98 59.52 2doa h ARG 16 Cb 2.06 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 31.79 2doa h ARG 16 CO 0.24 0.87 -1.27 0.28 -1.07 0.00 0.00 179.97 179.02 2doa h VAL 17 N 1.34 1.41 -0.03 2.04 2.07 -1.50 -2.85 116.25 118.73 2doa h VAL 17 Ca 0.36 -3.13 -0.10 0.00 0.82 0.00 0.00 66.70 64.65 2doa h VAL 17 Cb -0.14 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 2doa h VAL 17 CO -0.08 0.83 -0.45 0.25 0.02 0.00 0.00 177.57 178.14 2doa h LEU 18 N 0.02 0.07 0.11 2.57 5.85 -0.91 -2.21 115.31 120.81 2doa h LEU 18 Ca -0.12 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.27 2doa h LEU 18 Cb 1.88 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.89 2doa h LEU 18 CO 0.13 0.51 -1.45 0.45 -0.34 0.00 0.00 178.44 177.74 2doa h HIS 19 N 0.05 0.44 0.51 1.25 3.86 -1.01 -3.09 115.15 117.17 2doa h HIS 19 Ca 0.00 -0.32 -0.03 0.00 -1.16 0.00 0.00 60.37 58.86 2doa h HIS 19 Cb 0.82 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.28 2doa h HIS 19 CO 0.00 1.34 -0.25 -0.07 0.86 0.00 0.00 177.93 179.81 2doa h LEU 20 N 0.07 -0.58 -1.96 2.43 3.38 -1.41 -3.01 115.31 114.22 2doa h LEU 20 Ca -0.21 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2doa h LEU 20 Cb 2.00 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.89 2doa h LEU 20 CO 0.17 -0.25 0.08 -0.07 0.09 0.00 0.00 178.44 178.46 2doa h LEU 21 N -0.95 0.04 -1.92 1.67 3.38 -1.57 -1.13 115.31 114.84 2doa h LEU 21 Ca -0.07 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.93 2doa h LEU 21 Cb 0.61 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2doa h LEU 21 CO 0.12 0.03 0.13 0.00 0.09 0.00 0.00 178.44 178.81 2doa h ALA 22 N 1.94 2.06 0.02 1.53 0.00 -1.43 -3.14 119.26 120.23 2doa h ALA 22 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2doa h ALA 22 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2doa h ALA 22 CO -0.00 -0.10 -0.01 -0.07 0.00 0.00 0.00 179.25 179.07 2doa h LEU 23 N 0.10 -0.03 -7.71 0.00 3.38 -1.16 -3.49 115.31 106.40 2doa h LEU 23 Ca 0.08 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2doa h LEU 23 Cb 0.22 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 40.79 2doa h LEU 23 CO -0.01 0.32 -0.41 0.00 0.09 0.00 0.00 178.44 178.43 2doa s ARG 24 N -1.52 0.62 -0.16 1.13 1.70 -1.16 -5.04 118.95 114.52 2doa s ARG 24 Ca -0.00 -0.50 -0.34 0.00 -0.47 0.00 0.00 55.73 54.42 2doa s ARG 24 Cb 0.00 0.26 -0.11 0.00 -0.57 0.00 0.00 34.95 34.53 2doa s ARG 24 CO 0.01 -0.17 1.97 -2.30 -1.08 0.00 0.00 175.30 173.74 2doa n PRO 25 N 1.01 1.90 -3.98 3.89 -0.02 -1.26 -4.29 135.00 132.25 2doa n PRO 25 Ca -0.20 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.58 2doa n PRO 25 Cb 0.57 -2.65 -0.13 0.00 -0.02 0.00 0.00 33.50 31.27 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 5.17 3.01 0.34 6.00 2.02 -0.97 -4.80 117.35 128.12 2doa s TYR 26 Ca 0.97 -0.62 -0.06 0.00 -0.37 0.00 0.00 57.07 56.99 2doa s TYR 26 Cb -0.70 -2.11 0.09 0.00 -0.40 0.00 0.00 41.96 38.83 2doa s TYR 26 CO 0.50 -0.37 0.26 0.54 -1.57 0.00 0.00 175.55 174.91 2doa n ARG 27 N 4.55 -2.02 0.07 -0.62 1.74 -1.26 -2.65 116.66 116.46 2doa n ARG 27 Ca -0.17 -0.42 -0.21 0.00 -0.77 0.00 0.00 57.85 56.27 2doa n ARG 27 Cb 0.51 -0.45 -0.13 0.00 -1.02 0.00 0.00 32.46 31.38 2doa n ARG 27 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2doa h LYS 28 N 0.00 0.51 0.21 5.56 3.64 -1.96 -2.79 116.57 121.76 2doa h LYS 28 Ca -0.10 -0.70 -0.33 0.00 -1.27 0.00 0.00 60.65 58.24 2doa h LYS 28 Cb 0.33 0.23 0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2doa h LYS 28 CO 0.07 1.30 -1.56 0.00 -2.27 0.00 0.00 179.45 176.99 2doa h ALA 29 N 0.24 -0.01 -0.14 5.00 0.00 -1.93 -2.67 119.26 119.75 2doa h ALA 29 Ca -0.16 -0.98 -0.03 0.00 0.00 0.00 0.00 54.91 53.74 2doa h ALA 29 Cb 1.76 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.85 2doa h ALA 29 CO 0.20 0.82 -0.04 1.49 0.00 0.00 0.00 179.25 181.72 2doa h GLU 30 N 0.07 0.21 0.05 0.00 4.22 -1.94 -1.51 114.58 115.69 2doa h GLU 30 Ca -0.29 -0.03 -0.26 0.00 0.08 0.00 0.00 59.36 58.86 2doa h GLU 30 Cb 2.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 2doa h GLU 30 CO 0.22 0.27 -1.30 1.25 -2.18 0.00 0.00 179.01 177.27 2doa h LEU 31 N 0.21 0.17 0.01 1.64 5.85 -1.59 -3.19 115.31 118.41 2doa h LEU 31 Ca 0.05 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 2doa h LEU 31 Cb 0.21 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.19 2doa h LEU 31 CO 0.01 1.18 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.21 2doa h LEU 32 N 0.03 -0.01 -1.73 2.25 3.38 -1.06 -1.61 115.31 116.56 2doa h LEU 32 Ca -0.14 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2doa h LEU 32 Cb 1.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 2doa h LEU 32 CO 0.14 0.31 0.19 -0.07 0.09 0.00 0.00 178.44 179.10 2doa h LEU 33 N -0.33 0.31 -0.09 1.67 3.38 -1.43 0.71 115.31 119.53 2doa h LEU 33 Ca -0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2doa h LEU 33 Cb 0.33 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2doa h LEU 33 CO 0.00 0.23 -0.10 -0.09 0.09 0.00 0.00 178.44 178.57 2doa h ARG 34 N 0.37 0.23 0.00 1.13 1.12 -1.51 -3.14 114.38 112.58 2doa h ARG 34 Ca 0.10 -0.13 -0.08 0.00 -1.11 0.00 0.00 59.98 58.77 2doa h ARG 34 Cb -0.03 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2doa h ARG 34 CO -0.02 0.67 -0.38 -0.07 -3.11 0.00 0.00 179.97 177.06 2doa h LEU 35 N -0.20 0.00 -1.91 3.80 3.38 -0.87 -2.74 115.31 116.77 2doa h LEU 35 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2doa h LEU 35 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2doa h LEU 35 CO 0.02 0.38 0.19 1.56 0.09 0.00 0.00 178.44 180.68 2doa h GLN 36 N 0.00 0.10 -0.31 1.13 1.08 -0.82 -0.76 115.11 115.54 2doa h GLN 36 Ca -0.00 -0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 2doa h GLN 36 Cb 0.70 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2doa h GLN 36 CO 0.05 0.07 -0.30 0.87 -0.95 0.00 0.00 178.83 178.57 2doa h LYS 37 N 0.11 0.64 -0.04 1.46 1.57 -1.51 -3.00 116.57 115.80 2doa h LYS 37 Ca 0.12 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.44 2doa h LYS 37 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 2doa h LYS 37 CO -0.01 0.87 -0.77 -0.44 -0.57 0.00 0.00 179.45 178.52 2doa h ASP 38 N 0.55 0.34 0.00 0.86 3.32 -1.28 -3.43 116.42 116.78 2doa h ASP 38 Ca 0.07 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2doa h ASP 38 Cb 0.79 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.24 2doa h ASP 38 CO 0.06 0.99 0.00 0.61 -1.72 0.00 0.00 179.24 179.18 2doa n GLY 39 N 0.64 0.24 3.76 2.75 0.00 -0.68 -2.63 105.19 109.27 2doa n GLY 39 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 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 3.79 0.00 0.99 2.96 -0.90 -4.84 118.68 120.68 2doa s LEU 40 Ca 0.00 2.47 0.03 0.00 -0.22 0.00 0.00 54.13 56.41 2doa s LEU 40 Cb 0.00 -4.44 -0.01 0.00 0.50 0.00 0.00 46.19 42.24 2doa s LEU 40 CO 0.00 -1.45 0.11 0.35 -1.32 0.00 0.00 176.35 174.04 2doa n THR 41 N -1.21 0.00 0.06 3.68 -2.24 -1.26 -4.89 114.28 108.42 2doa n THR 41 Ca 0.11 -1.27 0.01 0.00 -2.27 0.00 0.00 64.05 60.63 2doa n THR 41 Cb 0.48 0.53 0.34 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.37 -0.19 -0.78 1.08 -1.98 0.27 115.11 113.89 2doa h GLN 42 Ca -0.15 -0.09 -0.12 0.00 -1.45 0.00 0.00 58.65 56.85 2doa h GLN 42 Cb 0.64 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 2doa h GLN 42 CO 0.23 0.47 -0.39 0.00 -0.95 0.00 0.00 178.83 178.19 2doa h ALA 43 N 1.56 0.98 0.03 3.87 0.00 -1.99 -2.51 119.26 121.19 2doa h ALA 43 Ca 0.07 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.29 2doa h ALA 43 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2doa h ALA 43 CO 0.02 0.61 -1.45 -0.44 0.00 0.00 0.00 179.25 177.99 2doa h ASP 44 N 0.35 0.09 0.49 0.00 5.19 -1.84 -3.04 116.42 117.67 2doa h ASP 44 Ca 0.03 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.29 2doa h ASP 44 Cb 0.84 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.33 2doa h ASP 44 CO 0.07 1.11 -0.24 0.11 -3.12 0.00 0.00 179.24 177.17 2doa h LYS 45 N 0.02 -0.64 -0.14 3.56 1.57 -0.40 0.15 116.57 120.68 2doa h LYS 45 Ca -0.19 0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2doa h LYS 45 Cb 1.93 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 34.38 2doa h LYS 45 CO 0.11 -0.43 0.05 0.22 -0.57 0.00 0.00 179.45 178.83 2doa h ASP 46 N -0.77 0.17 0.67 0.86 3.58 -1.64 -1.47 116.42 117.82 2doa h ASP 46 Ca -0.07 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.25 2doa h ASP 46 Cb 0.51 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 2doa h ASP 46 CO 0.11 0.17 -0.60 0.00 -2.88 0.00 0.00 179.24 176.04 2doa h ALA 47 N 1.86 0.95 -1.00 -0.78 0.00 -1.48 -3.15 119.26 115.65 2doa h ALA 47 Ca 0.05 -0.54 0.09 0.00 0.00 0.00 0.00 54.91 54.50 2doa h ALA 47 Cb 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 2doa h ALA 47 CO -0.00 0.75 0.64 1.25 0.00 0.00 0.00 179.25 181.89 2doa h LEU 48 N 0.00 1.00 -0.59 0.00 5.85 0.42 0.70 115.31 122.69 2doa h LEU 48 Ca -0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2doa h LEU 48 Cb 1.10 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 2doa h LEU 48 CO 0.08 0.60 0.29 -0.78 -0.34 0.00 0.00 178.44 178.28 2doa h ASP 49 N 1.11 0.77 1.27 1.25 1.82 -1.60 0.24 116.42 121.28 2doa h ASP 49 Ca 0.46 -0.13 -0.15 0.00 -0.39 0.00 0.00 57.03 56.82 2doa h ASP 49 Cb 0.29 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 2doa h ASP 49 CO -0.21 0.68 -0.75 1.23 -1.61 0.00 0.00 179.24 178.58 2doa h GLY 50 N 0.80 0.00 0.93 -0.78 0.00 -1.43 -3.25 103.07 99.34 2doa h GLY 50 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.32 2doa h GLY 50 CO -0.03 0.00 -0.89 -2.00 0.00 0.00 0.00 176.54 173.62 2doa h LEU 51 N 0.00 0.65 -0.51 3.11 6.46 0.61 -3.21 115.31 122.43 2doa h LEU 51 Ca -0.02 -0.83 0.06 0.00 -0.12 0.00 0.00 57.88 56.97 2doa h LEU 51 Cb 1.54 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 41.21 2doa h LEU 51 CO 0.09 1.41 0.22 -0.07 -0.62 0.00 0.00 178.44 179.46 2doa h LEU 52 N -0.02 0.27 -2.34 2.25 3.38 -0.63 0.23 115.31 118.45 2doa h LEU 52 Ca -0.13 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2doa h LEU 52 Cb 1.62 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 2doa h LEU 52 CO 0.17 0.18 -0.04 1.56 0.09 0.00 0.00 178.44 180.41 2doa h GLN 53 N 0.42 0.00 0.00 1.13 4.20 -1.65 0.87 115.11 120.08 2doa h GLN 53 Ca 0.24 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 2doa h GLN 53 Cb 0.21 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2doa h GLN 53 CO -0.21 0.04 -0.42 0.37 -0.67 0.00 0.00 178.83 177.94 2doa h GLN 54 N 0.00 0.00 -0.97 1.46 -0.00 -0.96 -3.39 115.11 111.26 2doa h GLN 54 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.65 58.23 2doa h GLN 54 Cb 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 27.48 27.40 2doa h GLN 54 CO 0.01 0.16 0.53 1.33 0.00 0.00 0.00 178.83 180.86 2doa n VAL 55 N -4.64 2.90 -3.82 2.39 0.24 0.59 -4.94 118.33 111.04 2doa n VAL 55 Ca -0.08 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.57 2doa n VAL 55 Cb 0.25 -0.52 0.01 0.00 -1.47 0.00 0.00 33.84 32.11 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 -2.87 -2.11 -0.03 2.33 0.00 0.30 -4.33 121.76 115.06 2doa s ALA 56 Ca 0.50 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.62 2doa s ALA 56 Cb 0.42 0.67 0.03 0.00 0.00 0.00 0.00 23.12 24.23 2doa s ALA 56 CO 0.10 -1.09 0.03 -0.80 0.00 0.00 0.00 175.76 174.00 2doa s ASN 57 N -3.37 0.46 0.12 0.00 0.01 -0.30 -4.03 114.94 107.84 2doa s ASN 57 Ca 0.21 0.02 -0.29 0.00 -0.71 0.00 0.00 52.86 52.10 2doa s ASN 57 Cb 0.01 -0.14 -0.06 0.00 0.41 0.00 0.00 41.25 41.46 2doa s ASN 57 CO 0.00 -0.15 0.92 -0.32 -1.51 0.00 0.00 177.10 176.04 2doa s MET 58 N 1.34 4.68 0.74 -0.60 1.75 -1.26 -0.65 119.30 125.30 2doa s MET 58 Ca -0.06 1.38 -0.09 0.00 -1.25 0.00 0.00 55.69 55.68 2doa s MET 58 Cb -0.13 -3.36 0.07 0.00 2.84 0.00 0.00 34.83 34.25 2doa s MET 58 CO -0.03 0.28 1.08 0.45 -0.65 0.00 0.00 175.02 176.15 2doa s SER 59 N -0.21 4.74 -0.32 1.11 0.15 0.67 -4.98 113.70 114.86 2doa s SER 59 Ca 0.44 0.63 0.07 0.00 0.70 0.00 0.00 55.95 57.79 2doa s SER 59 Cb -0.23 -1.23 0.47 0.00 -1.71 0.00 0.00 66.02 63.32 2doa s SER 59 CO 0.29 -1.70 1.41 0.00 1.20 0.00 0.00 173.24 174.44 2doa n ALA 60 N -3.08 4.67 -0.05 5.45 0.00 -1.26 -4.38 120.51 121.86 2doa n ALA 60 Ca 0.08 -3.42 -0.06 0.00 0.00 0.00 0.00 53.44 50.04 2doa n ALA 60 Cb 0.60 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.98 1.67 0.00 0.00 5.02 -1.26 -4.99 118.16 117.63 2doa n LYS 61 Ca 0.38 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2doa n LYS 61 Cb 0.92 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.69 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 -2.53 0.00 0.00 4.39 8.00 -1.26 -5.06 116.55 120.08 2doa n ASP 62 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2doa n ASP 62 Cb 0.78 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2doa n GLY 63 N -1.43 0.00 3.67 0.44 0.00 -1.26 -5.08 105.19 101.54 2doa n GLY 63 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.36 0.04 2.61 2.01 -1.26 -3.53 115.64 119.87 2doa s THR 64 Ca 0.00 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 2doa s THR 64 Cb 0.00 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 2doa s THR 64 CO 0.00 0.59 0.24 0.00 -0.69 0.00 0.00 174.62 174.76 2doa s THR 66 N -1.42 0.78 0.59 0.00 -4.23 0.18 -2.30 115.64 109.24 2doa s THR 66 Ca 0.31 -0.24 -0.20 0.00 -1.18 0.00 0.00 61.69 60.38 2doa s THR 66 Cb -0.13 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 2doa s THR 66 CO 0.21 0.29 1.31 -0.22 -0.54 0.00 0.00 174.62 175.67 2doa s LEU 67 N 0.99 3.73 1.01 4.79 2.96 -1.26 -1.15 118.68 129.74 2doa s LEU 67 Ca -0.10 2.65 -0.15 0.00 -0.22 0.00 0.00 54.13 56.32 2doa s LEU 67 Cb -0.14 -4.44 0.19 0.00 0.50 0.00 0.00 46.19 42.30 2doa s LEU 67 CO 0.00 -1.72 1.15 -1.10 -1.32 0.00 0.00 176.35 173.37 2doa s GLN 68 N -3.13 0.33 -0.12 1.98 -0.21 -1.26 -4.88 119.66 112.37 2doa s GLN 68 Ca 0.76 0.13 -0.23 0.00 0.02 0.00 0.00 55.36 56.04 2doa s GLN 68 Cb -0.38 -1.76 -0.27 0.00 1.00 0.00 0.00 33.01 31.61 2doa s GLN 68 CO 0.42 -2.72 0.67 0.22 -2.12 0.00 0.00 175.29 171.77 2doa h ASP 69 N -1.87 0.20 0.51 5.90 1.82 -1.99 -3.33 116.42 117.67 2doa h ASP 69 Ca -0.49 -0.88 -0.13 0.00 -0.39 0.00 0.00 57.03 55.14 2doa h ASP 69 Cb 1.31 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 41.24 2doa h ASP 69 CO 0.51 1.31 -0.59 0.00 -1.61 0.00 0.00 179.24 178.86 2doa h MET 71 N 0.06 0.00 -0.41 0.00 2.86 -1.96 -1.48 114.93 114.00 2doa h MET 71 Ca -0.01 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 2doa h MET 71 Cb 1.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2doa h MET 71 CO 0.08 0.00 0.29 1.88 1.06 0.00 0.00 176.91 180.22 2doa h TYR 72 N 0.00 0.12 -0.23 -0.22 0.05 -1.62 0.05 116.97 115.11 2doa h TYR 72 Ca 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.77 2doa h TYR 72 Cb 0.07 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 2doa h TYR 72 CO 0.00 0.06 0.02 0.87 -1.05 0.00 0.00 178.16 178.05 2doa h LYS 73 N 0.11 0.34 0.00 4.88 1.79 -1.46 -1.76 116.57 120.47 2doa h LYS 73 Ca 0.19 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2doa h LYS 73 Cb 0.62 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 2doa h LYS 73 CO -0.02 0.35 -0.31 -0.44 -1.08 0.00 0.00 179.45 177.95 2doa h ASP 74 N 0.33 0.00 -3.02 0.86 5.19 -1.13 -3.44 116.42 115.21 2doa h ASP 74 Ca 0.08 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.94 2doa h ASP 74 Cb 0.20 0.00 0.08 0.00 0.18 0.00 0.00 39.33 39.79 2doa h ASP 74 CO 0.00 0.31 0.84 0.52 -3.12 0.00 0.00 179.24 177.79 2doa n VAL 75 N -4.00 0.84 -2.03 -1.35 0.31 -0.66 -4.99 118.33 106.45 2doa n VAL 75 Ca -0.02 -0.21 -0.28 0.00 -0.01 0.00 0.00 64.34 63.83 2doa n VAL 75 Cb 0.37 -1.84 0.08 0.00 -0.91 0.00 0.00 33.84 31.54 2doa n VAL 75 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 2doa s GLN 76 N -0.22 2.06 -0.29 5.55 -0.21 -1.26 -5.01 119.66 120.29 2doa s GLN 76 Ca 0.67 -0.04 0.09 0.00 0.02 0.00 0.00 55.36 56.09 2doa s GLN 76 Cb -0.54 -2.04 0.48 0.00 1.00 0.00 0.00 33.01 31.91 2doa s GLN 76 CO 0.46 -1.45 1.41 1.63 -2.12 0.00 0.00 175.29 175.22 2doa n LYS 77 N -3.15 1.96 -1.31 2.91 4.01 -1.26 -4.54 118.16 116.77 2doa n LYS 77 Ca 0.08 -3.32 -0.04 0.00 -0.51 0.00 0.00 58.31 54.52 2doa n LYS 77 Cb 0.61 -1.83 -0.03 0.00 -0.51 0.00 0.00 35.03 33.27 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2doa n ASP 78 N -1.08 -0.56 -4.72 4.39 8.00 -1.26 -5.12 116.55 116.20 2doa n ASP 78 Ca 0.32 -2.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.38 2doa n ASP 78 Cb 0.94 0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 42.21 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 -0.10 2.98 0.22 1.24 -0.11 -1.26 -4.89 118.94 117.02 2doa s TRP 79 Ca 0.09 0.53 0.29 0.00 1.22 0.00 0.00 56.10 58.22 2doa s TRP 79 Cb 0.13 -3.99 1.25 0.00 -1.50 0.00 0.00 33.47 29.36 2doa s TRP 79 CO -0.05 -3.71 1.96 -1.00 -4.62 0.00 0.00 176.95 169.53 2doa h PRO 80 N 6.89 0.00 -0.68 5.86 0.13 -1.96 -3.14 132.00 139.09 2doa h PRO 80 Ca -0.43 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2doa h PRO 80 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2doa h PRO 80 CO 0.93 0.12 0.38 0.78 -0.23 0.00 0.00 178.00 179.98 2doa h GLY 81 N 1.68 1.00 -0.81 1.56 0.00 -1.97 -3.43 103.07 101.11 2doa h GLY 81 Ca -0.00 -0.26 -0.45 0.00 0.00 0.00 0.00 47.33 46.61 2doa h GLY 81 CO 0.02 0.16 0.25 -0.19 0.00 0.00 0.00 176.54 176.77 2doa s TYR 82 N -6.09 2.14 0.04 5.60 2.02 -1.19 -5.03 117.35 114.84 2doa s TYR 82 Ca -0.13 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.41 2doa s TYR 82 Cb 0.16 -3.38 0.00 0.00 -0.40 0.00 0.00 41.96 38.34 2doa s TYR 82 CO 0.76 -2.73 0.00 0.45 -1.57 0.00 0.00 175.55 172.46 2doa n SER 83 N -4.02 -0.05 0.01 2.29 2.88 -1.26 -4.97 113.62 108.49 2doa n SER 83 Ca 0.07 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2doa n SER 83 Cb 0.59 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.15 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 -2.62 0.00 -0.06 -1.46 4.71 -1.26 -4.77 120.64 115.18 2doa n GLU 84 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2doa n GLU 84 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 31.44 30.50 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 2doa h GLY 85 N 0.00 0.78 1.71 0.62 0.00 -2.00 -2.77 103.07 101.40 2doa h GLY 85 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 47.33 46.32 2doa h GLY 85 CO 0.00 0.69 -1.13 -0.55 0.00 0.00 0.00 176.54 175.54 2doa h ASP 86 N 0.60 0.33 -0.42 0.19 3.32 -1.96 -3.21 116.42 115.27 2doa h ASP 86 Ca 0.06 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.77 2doa h ASP 86 Cb 0.89 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2doa h ASP 86 CO 0.08 1.24 0.27 1.56 -1.72 0.00 0.00 179.24 180.67 2doa h GLN 87 N 0.08 0.55 -0.57 3.56 4.20 -1.85 -0.24 115.11 120.84 2doa h GLN 87 Ca -0.10 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2doa h GLN 87 Cb 1.85 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 2doa h GLN 87 CO 0.18 0.38 0.25 1.96 -0.67 0.00 0.00 178.83 180.92 2doa h GLN 88 N 0.56 0.82 0.12 1.46 4.20 -1.58 -1.46 115.11 119.22 2doa h GLN 88 Ca 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2doa h GLN 88 Cb -0.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2doa h GLN 88 CO -0.03 0.66 -0.06 1.25 -0.67 0.00 0.00 178.83 179.98 2doa h LEU 89 N 0.81 -0.13 -2.18 1.46 5.85 -1.43 -2.82 115.31 116.87 2doa h LEU 89 Ca 0.20 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.60 2doa h LEU 89 Cb 0.13 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 2doa h LEU 89 CO -0.02 0.29 0.06 0.25 -0.34 0.00 0.00 178.44 178.68 2doa h LEU 90 N -0.58 0.00 -0.62 2.25 5.85 -0.92 0.56 115.31 121.84 2doa h LEU 90 Ca -0.02 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 2doa h LEU 90 Cb 0.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 2doa h LEU 90 CO 0.03 0.00 -0.58 0.11 -0.34 0.00 0.00 178.44 177.65 2doa h LYS 91 N 0.00 0.34 0.00 1.25 1.57 -1.16 -2.75 116.57 115.82 2doa h LYS 91 Ca 0.03 -0.22 -0.26 0.00 -1.87 0.00 0.00 60.65 58.33 2doa h LYS 91 Cb 0.15 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2doa h LYS 91 CO -0.00 0.83 -1.40 0.07 -0.57 0.00 0.00 179.45 178.37 2doa h ARG 92 N 0.26 0.00 -0.58 3.15 0.11 -0.95 -3.31 114.38 113.06 2doa h ARG 92 Ca -0.00 -0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 2doa h ARG 92 Cb 1.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.16 2doa h ARG 92 CO 0.10 0.72 0.04 0.28 0.10 0.00 0.00 179.97 181.20 2doa h VAL 93 N 0.00 1.26 -0.02 0.08 2.07 -0.93 -1.20 116.25 117.50 2doa h VAL 93 Ca -0.17 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 2doa h VAL 93 Cb 1.91 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2doa h VAL 93 CO 0.10 0.39 -0.24 -0.07 0.02 0.00 0.00 177.57 177.77 2doa h LEU 94 N 0.89 0.04 0.05 2.57 3.38 -1.61 0.67 115.31 121.30 2doa h LEU 94 Ca 0.17 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 94 Cb 0.50 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.26 2doa h LEU 94 CO 0.02 0.28 -0.77 0.58 0.09 0.00 0.00 178.44 178.65 2doa h VAL 95 N 0.04 1.42 -0.14 1.22 2.07 -1.56 -0.42 116.25 118.88 2doa h VAL 95 Ca 0.00 -2.26 -0.13 0.00 0.82 0.00 0.00 66.70 65.14 2doa h VAL 95 Cb 0.45 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 2doa h VAL 95 CO 0.03 0.66 -0.46 0.03 0.02 0.00 0.00 177.57 177.85 2doa h ARG 96 N -0.09 0.36 0.00 1.57 2.47 -1.04 -3.34 114.38 114.30 2doa h ARG 96 Ca -0.11 -0.19 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2doa h ARG 96 Cb 1.50 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.83 2doa h ARG 96 CO 0.15 0.75 -0.00 0.87 0.56 0.00 0.00 179.97 182.30 2doa h LYS 97 N 0.29 -0.00 0.00 0.04 1.79 -0.94 -3.47 116.57 114.27 2doa h LYS 97 Ca 0.02 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.25 2doa h LYS 97 Cb 0.93 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.69 2doa h LYS 97 CO 0.08 -0.00 0.15 1.28 -1.08 0.00 0.00 179.45 179.88 2doa n LEU 98 N -3.94 0.00 -0.05 2.94 4.77 -0.17 -5.03 117.00 115.52 2doa n LEU 98 Ca -0.00 -0.76 -0.02 0.00 -0.03 0.00 0.00 56.01 55.20 2doa n LEU 98 Cb 0.00 -0.59 -0.01 0.00 -2.33 0.00 0.00 43.42 40.49 2doa n LEU 98 CO 0.00 -1.39 -0.02 -1.28 -1.33 0.00 0.00 177.39 173.37 2doa h SER 99 N -1.56 0.00 0.00 -1.43 0.87 -1.80 -3.44 113.55 106.19 2doa h SER 99 Ca -0.25 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2doa h SER 99 Cb 0.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 2doa h SER 99 CO 0.17 0.58 0.00 0.61 -0.53 0.00 0.00 176.83 177.65 2doa n GLY 100 N 1.74 0.07 3.35 5.77 0.00 -1.26 -4.96 105.19 109.90 2doa n GLY 100 Ca -0.02 0.45 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 2doa n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2doa n PRO 101 N 0.00 -0.71 -3.51 1.61 -0.02 -1.26 -5.04 135.00 126.07 2doa n PRO 101 Ca 0.00 -0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.22 2doa n PRO 101 Cb 0.00 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2doa n PRO 101 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2doa s SER 102 N -1.90 -0.37 -0.07 2.55 1.04 -1.26 -5.18 113.70 108.50 2doa s SER 102 Ca 0.55 0.06 -0.21 0.00 0.48 0.00 0.00 55.95 56.83 2doa s SER 102 Cb -0.17 0.37 0.05 0.00 0.10 0.00 0.00 66.02 66.37 2doa s SER 102 CO 0.68 -0.58 0.50 -0.94 0.98 0.00 0.00 173.24 173.87 2doa s SER 103 N -2.30 -0.45 0.00 7.02 1.04 -1.26 -5.33 113.70 112.42 2doa s SER 103 Ca 0.04 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2doa s SER 103 Cb -0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2doa s SER 103 CO -0.07 -0.44 0.00 0.61 0.98 0.00 0.00 173.24 174.32