#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 7.02 0.03 1.61 0.01 -1.26 -5.02 113.70 116.09 2doa s SER 2 Ca 0.00 1.60 0.06 0.00 1.31 0.00 0.00 55.95 58.92 2doa s SER 2 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2doa s SER 2 CO 0.00 -0.70 -0.18 -0.55 0.41 0.00 0.00 173.24 172.23 2doa s SER 3 N 1.63 2.08 0.00 2.44 0.15 -1.26 -5.00 113.70 113.74 2doa s SER 3 Ca 0.51 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2doa s SER 3 Cb -0.20 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2doa s SER 3 CO 0.13 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2doa n GLY 4 N 2.02 0.00 3.60 9.45 0.00 -1.26 -5.18 105.19 113.83 2doa n GLY 4 Ca -0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 0.32 0.21 1.61 0.01 -1.26 -5.08 113.70 109.51 2doa s SER 5 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 2doa s SER 5 Cb 0.00 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.91 2doa s SER 5 CO 0.00 -1.32 0.00 -0.24 0.41 0.00 0.00 173.24 172.09 2doa n SER 6 N -0.99 -1.92 0.00 2.44 2.88 -1.26 -5.18 113.62 109.59 2doa n SER 6 Ca -0.02 0.61 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2doa n SER 6 Cb 0.61 2.01 0.00 0.00 -0.75 0.00 0.00 64.21 66.09 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 7 N -1.26 -0.91 5.00 0.46 0.00 -1.26 -5.04 105.19 102.18 2doa n GLY 7 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 3.47 0.00 0.02 1.61 0.31 -1.26 -4.17 118.33 118.31 2doa n VAL 8 Ca 0.00 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.51 2doa n VAL 8 Cb 0.00 0.00 0.67 0.00 -0.91 0.00 0.00 33.84 33.60 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 0.03 -0.05 4.52 0.02 -1.95 -0.50 113.55 115.62 2doa h SER 9 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 2doa h SER 9 Cb 0.00 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.54 2doa h SER 9 CO 0.00 0.02 -0.74 1.56 -1.14 0.00 0.00 176.83 176.53 2doa h GLN 10 N 0.04 0.70 -7.24 3.45 4.20 -1.97 -3.45 115.11 110.83 2doa h GLN 10 Ca 0.23 -0.56 -0.52 0.00 0.06 0.00 0.00 58.65 57.87 2doa h GLN 10 Cb 0.87 0.11 0.13 0.00 0.30 0.00 0.00 27.48 28.89 2doa h GLN 10 CO -0.01 1.17 0.34 1.03 -0.67 0.00 0.00 178.83 180.69 2doa s ARG 11 N -3.75 2.31 0.97 1.46 1.81 -0.20 -4.98 118.95 116.57 2doa s ARG 11 Ca -0.09 1.39 -0.14 0.00 -1.72 0.00 0.00 55.73 55.17 2doa s ARG 11 Cb 0.09 -1.89 0.02 0.00 -0.45 0.00 0.00 34.95 32.73 2doa s ARG 11 CO 0.89 -1.63 0.24 -2.30 -0.68 0.00 0.00 175.30 171.82 2doa n PRO 12 N -3.04 -0.39 -0.08 3.54 -0.02 -1.26 -4.84 135.00 128.91 2doa n PRO 12 Ca 0.11 -0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.37 2doa n PRO 12 Cb 0.52 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.56 1.06 -0.59 6.00 3.57 -1.93 -2.95 116.94 120.53 2doa h PHE 13 Ca -0.44 -0.37 -0.02 0.00 3.53 0.00 0.00 57.97 60.67 2doa h PHE 13 Cb 1.29 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2doa h PHE 13 CO 0.35 1.19 0.29 0.00 -2.23 0.00 0.00 178.31 177.91 2doa h ARG 14 N 0.66 0.83 -0.34 1.11 3.08 -1.99 -2.09 114.38 115.63 2doa h ARG 14 Ca 0.02 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 2doa h ARG 14 Cb 1.12 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 2doa h ARG 14 CO 0.12 0.63 -0.21 -0.44 -1.07 0.00 0.00 179.97 179.00 2doa h ASP 15 N 0.83 0.65 -0.44 7.04 3.32 -1.90 0.39 116.42 126.31 2doa h ASP 15 Ca 0.21 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2doa h ASP 15 Cb 0.07 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2doa h ASP 15 CO -0.03 0.85 -0.06 0.03 -1.72 0.00 0.00 179.24 178.31 2doa h ARG 16 N 0.57 0.82 0.09 3.56 3.08 -1.23 -1.68 114.38 119.59 2doa h ARG 16 Ca 0.09 -0.29 -0.24 0.00 0.07 0.00 0.00 59.98 59.61 2doa h ARG 16 Cb 0.67 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.68 2doa h ARG 16 CO 0.05 0.91 -0.99 0.28 -1.07 0.00 0.00 179.97 179.16 2doa h VAL 17 N 0.65 1.37 -0.87 2.04 2.07 -1.28 -2.93 116.25 117.31 2doa h VAL 17 Ca 0.12 -2.38 0.04 0.00 0.82 0.00 0.00 66.70 65.30 2doa h VAL 17 Cb 0.59 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 2doa h VAL 17 CO 0.04 0.70 0.55 0.25 0.02 0.00 0.00 177.57 179.13 2doa h LEU 18 N 0.04 0.91 -0.91 2.57 5.85 -0.23 -0.57 115.31 122.96 2doa h LEU 18 Ca -0.15 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 2doa h LEU 18 Cb 1.70 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.52 2doa h LEU 18 CO 0.19 0.61 -0.50 0.45 -0.34 0.00 0.00 178.44 178.85 2doa h HIS 19 N 1.06 0.14 0.14 1.25 3.86 -1.38 -0.90 115.15 119.31 2doa h HIS 19 Ca 0.35 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.51 2doa h HIS 19 Cb 0.05 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2doa h HIS 19 CO -0.02 0.59 -0.07 -0.07 0.86 0.00 0.00 177.93 179.22 2doa h LEU 20 N 0.09 -0.16 -1.31 2.43 3.38 -1.10 -3.13 115.31 115.52 2doa h LEU 20 Ca 0.00 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2doa h LEU 20 Cb 0.92 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2doa h LEU 20 CO 0.07 0.29 -0.34 -0.07 0.09 0.00 0.00 178.44 178.48 2doa h LEU 21 N -0.66 0.00 -1.14 1.67 3.38 -1.16 -2.87 115.31 114.53 2doa h LEU 21 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.01 2doa h LEU 21 Cb 0.49 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 2doa h LEU 21 CO 0.03 0.34 0.59 0.00 0.09 0.00 0.00 178.44 179.49 2doa h ALA 22 N 1.66 1.49 0.26 1.53 0.00 -1.14 -3.16 119.26 119.90 2doa h ALA 22 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2doa h ALA 22 Cb 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2doa h ALA 22 CO 0.04 0.39 -0.13 -0.07 0.00 0.00 0.00 179.25 179.49 2doa h LEU 23 N 1.06 -0.30 -7.66 0.00 3.38 -1.45 -3.47 115.31 106.86 2doa h LEU 23 Ca 0.38 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.27 2doa h LEU 23 Cb 0.14 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 40.81 2doa h LEU 23 CO -0.13 -0.15 -0.31 0.00 0.09 0.00 0.00 178.44 177.94 2doa s ARG 24 N -3.18 0.81 -0.20 1.13 1.70 -1.19 -4.97 118.95 113.05 2doa s ARG 24 Ca -0.05 -0.69 -0.36 0.00 -0.47 0.00 0.00 55.73 54.16 2doa s ARG 24 Cb 0.01 0.34 -0.12 0.00 -0.57 0.00 0.00 34.95 34.60 2doa s ARG 24 CO 0.16 -0.26 1.93 -2.30 -1.08 0.00 0.00 175.30 173.75 2doa n PRO 25 N 0.35 1.67 -4.48 3.89 -0.02 -1.26 -4.42 135.00 130.74 2doa n PRO 25 Ca -0.17 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.55 2doa n PRO 25 Cb 0.60 -2.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 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 4.83 2.93 0.99 6.00 2.02 -0.90 -4.86 117.35 128.37 2doa s TYR 26 Ca 0.98 -0.52 -0.17 0.00 -0.37 0.00 0.00 57.07 56.99 2doa s TYR 26 Cb -0.81 -1.93 0.24 0.00 -0.40 0.00 0.00 41.96 39.06 2doa s TYR 26 CO 0.54 -0.18 1.00 0.54 -1.57 0.00 0.00 175.55 175.89 2doa n ARG 27 N 3.71 -2.32 0.02 -0.62 1.74 -1.26 -1.54 116.66 116.38 2doa n ARG 27 Ca -0.18 -1.59 -0.19 0.00 -0.77 0.00 0.00 57.85 55.12 2doa n ARG 27 Cb 0.52 -1.34 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 2doa n ARG 27 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2doa h LYS 28 N 0.00 0.63 0.19 5.56 1.57 -1.96 -1.92 116.57 120.64 2doa h LYS 28 Ca -0.36 -0.66 -0.30 0.00 -1.87 0.00 0.00 60.65 57.46 2doa h LYS 28 Cb 1.06 0.18 0.03 0.00 0.08 0.00 0.00 32.23 33.59 2doa h LYS 28 CO 0.24 1.26 -1.30 0.00 -0.57 0.00 0.00 179.45 179.08 2doa h ALA 29 N 0.39 -0.09 -0.08 3.86 0.00 -1.94 -1.85 119.26 119.56 2doa h ALA 29 Ca -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 54.91 53.92 2doa h ALA 29 Cb 1.56 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 2doa h ALA 29 CO 0.18 0.64 -0.34 0.93 0.00 0.00 0.00 179.25 180.65 2doa h GLU 30 N 0.13 0.15 0.16 0.00 5.08 -1.94 -2.47 114.58 115.68 2doa h GLU 30 Ca -0.21 -0.06 -0.30 0.00 -1.00 0.00 0.00 59.36 57.78 2doa h GLU 30 Cb 1.99 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 31.25 2doa h GLU 30 CO 0.25 0.48 -1.42 1.25 -1.00 0.00 0.00 179.01 178.57 2doa h LEU 31 N 0.13 0.51 -0.18 1.33 5.85 -1.41 -3.20 115.31 118.34 2doa h LEU 31 Ca 0.02 -0.61 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 2doa h LEU 31 Cb 0.68 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2doa h LEU 31 CO 0.05 1.49 0.11 -0.07 -0.34 0.00 0.00 178.44 179.67 2doa h LEU 32 N 0.09 0.22 -1.40 2.25 3.38 -1.19 -0.84 115.31 117.81 2doa h LEU 32 Ca -0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 2doa h LEU 32 Cb 2.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 2doa h LEU 32 CO 0.20 0.21 0.31 -0.07 0.09 0.00 0.00 178.44 179.18 2doa h LEU 33 N 0.21 0.63 -0.07 1.67 3.38 -1.57 -1.07 115.31 118.49 2doa h LEU 33 Ca 0.06 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2doa h LEU 33 Cb 0.03 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2doa h LEU 33 CO -0.01 0.49 -0.03 -0.09 0.09 0.00 0.00 178.44 178.89 2doa h ARG 34 N 0.73 0.14 -0.11 1.13 1.12 -1.44 -3.05 114.38 112.90 2doa h ARG 34 Ca 0.19 -0.06 -0.03 0.00 -1.11 0.00 0.00 59.98 58.97 2doa h ARG 34 Cb -0.02 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 2doa h ARG 34 CO -0.04 0.52 -0.05 -0.07 -3.11 0.00 0.00 179.97 177.22 2doa h LEU 35 N -0.24 0.14 -1.62 3.80 3.38 -0.87 -1.82 115.31 118.09 2doa h LEU 35 Ca 0.01 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 35 Cb 0.47 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2doa h LEU 35 CO 0.01 0.23 -0.07 1.56 0.09 0.00 0.00 178.44 180.25 2doa h GLN 36 N 0.16 0.15 -0.80 1.13 4.20 -1.09 -1.11 115.11 117.74 2doa h GLN 36 Ca 0.04 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2doa h GLN 36 Cb 0.20 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 2doa h GLN 36 CO 0.01 0.24 0.53 0.87 -0.67 0.00 0.00 178.83 179.81 2doa h LYS 37 N 0.15 1.05 0.05 1.46 1.57 -1.25 -3.10 116.57 116.49 2doa h LYS 37 Ca 0.03 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 2doa h LYS 37 Cb 0.23 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.32 2doa h LYS 37 CO 0.01 0.69 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.77 2doa h ASP 38 N 1.08 0.24 0.00 0.86 5.19 -1.53 -3.48 116.42 118.78 2doa h ASP 38 Ca 0.30 -0.92 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2doa h ASP 38 Cb -0.12 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.31 2doa h ASP 38 CO -0.07 1.15 0.00 0.61 -3.12 0.00 0.00 179.24 177.81 2doa n GLY 39 N 1.48 -1.21 3.17 2.75 0.00 -0.46 -4.96 105.19 105.96 2doa n GLY 39 Ca -0.11 0.54 -0.36 0.00 0.00 0.00 0.00 46.02 46.09 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 0.73 0.99 2.96 -1.12 -4.91 118.68 121.68 2doa s LEU 40 Ca 0.00 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.44 2doa s LEU 40 Cb 0.00 -1.77 0.14 0.00 0.50 0.00 0.00 46.19 45.06 2doa s LEU 40 CO 0.00 -0.35 1.01 0.28 -1.32 0.00 0.00 176.35 175.97 2doa s THR 41 N 1.24 2.08 0.32 3.68 -1.32 -1.26 -4.76 115.64 115.63 2doa s THR 41 Ca -0.01 -0.61 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 2doa s THR 41 Cb -0.21 -2.47 0.26 0.00 -1.51 0.00 0.00 72.50 68.57 2doa s THR 41 CO -0.01 0.00 1.99 -0.61 -2.21 0.00 0.00 174.62 173.77 2doa h GLN 42 N -0.57 0.95 -0.01 7.08 5.75 -1.99 0.40 115.11 126.74 2doa h GLN 42 Ca -0.35 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.03 2doa h GLN 42 Cb 1.26 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 2doa h GLN 42 CO 0.39 0.64 -0.27 0.00 -2.65 0.00 0.00 178.83 176.93 2doa h ALA 43 N 1.54 1.54 0.00 3.38 0.00 -2.01 -2.83 119.26 120.87 2doa h ALA 43 Ca 0.26 -0.25 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2doa h ALA 43 Cb -0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 2doa h ALA 43 CO -0.06 0.35 -1.71 -0.25 0.00 0.00 0.00 179.25 177.58 2doa n ASP 44 N -4.21 0.91 -0.07 0.00 9.92 -0.58 -3.74 116.55 118.78 2doa n ASP 44 Ca -0.02 0.41 0.05 0.00 -0.53 0.00 0.00 54.79 54.70 2doa n ASP 44 Cb 0.32 -0.09 0.40 0.00 -0.64 0.00 0.00 41.12 41.11 2doa n ASP 44 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2doa h LYS 45 N 0.00 0.61 0.02 -1.24 1.57 -0.00 -0.67 116.57 116.86 2doa h LYS 45 Ca -0.29 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.25 2doa h LYS 45 Cb 2.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 34.17 2doa h LYS 45 CO 0.08 0.40 -0.96 -0.44 -0.57 0.00 0.00 179.45 177.97 2doa h ASP 46 N 0.63 0.17 0.28 0.86 5.19 -1.66 -3.24 116.42 118.65 2doa h ASP 46 Ca 0.21 -0.16 -0.13 0.00 -0.62 0.00 0.00 57.03 56.33 2doa h ASP 46 Cb 0.08 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2doa h ASP 46 CO -0.05 1.03 -0.53 0.00 -3.12 0.00 0.00 179.24 176.56 2doa h ALA 47 N 0.95 0.91 -0.33 3.45 0.00 -1.39 -2.99 119.26 119.88 2doa h ALA 47 Ca -0.04 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.38 2doa h ALA 47 Cb 1.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2doa h ALA 47 CO 0.14 0.68 0.22 1.25 0.00 0.00 0.00 179.25 181.54 2doa h LEU 48 N 0.22 0.35 0.24 0.00 5.85 -1.19 0.48 115.31 121.26 2doa h LEU 48 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2doa h LEU 48 Cb 1.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2doa h LEU 48 CO 0.08 0.25 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.54 2doa h ASP 49 N 0.41 -0.27 0.82 1.25 1.82 -1.62 -0.04 116.42 118.78 2doa h ASP 49 Ca 0.12 -0.03 -0.11 0.00 -0.39 0.00 0.00 57.03 56.62 2doa h ASP 49 Cb 0.00 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2doa h ASP 49 CO -0.03 -0.15 -0.54 1.23 -1.61 0.00 0.00 179.24 178.14 2doa h GLY 50 N -0.37 0.00 1.03 -0.78 0.00 -1.57 -3.16 103.07 98.22 2doa h GLY 50 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 2doa h GLY 50 CO 0.05 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 174.29 2doa h LEU 51 N 0.00 0.84 0.03 3.11 5.85 -0.73 -2.95 115.31 121.46 2doa h LEU 51 Ca -0.01 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2doa h LEU 51 Cb 1.09 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2doa h LEU 51 CO 0.07 1.13 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.19 2doa h LEU 52 N 0.57 -0.10 -2.66 2.25 3.38 -1.00 0.59 115.31 118.35 2doa h LEU 52 Ca 0.06 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2doa h LEU 52 Cb 0.88 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2doa h LEU 52 CO 0.08 -0.06 0.05 1.56 0.09 0.00 0.00 178.44 180.16 2doa h GLN 53 N -0.08 0.00 0.00 1.13 1.08 -1.57 0.90 115.11 116.57 2doa h GLN 53 Ca 0.01 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 2doa h GLN 53 Cb 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 2doa h GLN 53 CO -0.02 0.00 -1.30 1.04 -0.95 0.00 0.00 178.83 177.60 2doa n GLN 54 N -3.41 0.55 -0.80 1.46 1.13 -0.61 -4.31 117.38 111.39 2doa n GLN 54 Ca -0.02 0.54 -0.05 0.00 -1.94 0.00 0.00 57.00 55.53 2doa n GLN 54 Cb 0.13 -1.71 0.24 0.00 0.11 0.00 0.00 30.24 29.01 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 -4.44 2.38 -3.60 5.09 0.24 0.20 -4.93 118.33 113.26 2doa n VAL 55 Ca -0.31 -1.25 0.01 0.00 -2.04 0.00 0.00 64.34 60.75 2doa n VAL 55 Cb 0.65 -0.44 -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 -2.44 -2.28 -0.11 2.33 0.00 0.31 -4.23 121.76 115.34 2doa s ALA 56 Ca 0.43 0.96 0.02 0.00 0.00 0.00 0.00 51.96 53.37 2doa s ALA 56 Cb 0.34 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 2doa s ALA 56 CO 0.11 -0.96 -0.18 -0.80 0.00 0.00 0.00 175.76 173.93 2doa s ASN 57 N -2.81 3.61 0.57 0.00 0.01 0.15 -3.92 114.94 112.55 2doa s ASN 57 Ca 0.14 -0.42 -0.04 0.00 -0.71 0.00 0.00 52.86 51.82 2doa s ASN 57 Cb 0.04 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.23 2doa s ASN 57 CO -0.05 0.17 0.86 -0.32 -1.51 0.00 0.00 177.10 176.25 2doa s MET 58 N 0.30 2.84 0.39 -0.60 1.75 -1.26 -2.12 119.30 120.61 2doa s MET 58 Ca -0.13 -0.18 0.08 0.00 -1.25 0.00 0.00 55.69 54.20 2doa s MET 58 Cb -0.17 -2.33 -0.07 0.00 2.84 0.00 0.00 34.83 35.11 2doa s MET 58 CO 0.07 -0.68 0.06 0.45 -0.65 0.00 0.00 175.02 174.27 2doa s SER 59 N -4.32 4.10 -0.29 1.11 0.15 -1.23 -4.97 113.70 108.26 2doa s SER 59 Ca 0.54 -1.19 0.08 0.00 0.70 0.00 0.00 55.95 56.08 2doa s SER 59 Cb -0.10 -0.45 0.49 0.00 -1.71 0.00 0.00 66.02 64.25 2doa s SER 59 CO 0.43 -0.43 1.42 0.00 1.20 0.00 0.00 173.24 175.86 2doa n ALA 60 N -1.04 4.37 0.08 5.45 0.00 -1.26 -4.30 120.51 123.81 2doa n ALA 60 Ca -0.04 -3.27 0.00 0.00 0.00 0.00 0.00 53.44 50.14 2doa n ALA 60 Cb 0.65 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.44 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 -1.08 0.00 0.07 0.00 4.81 -1.26 -4.95 118.16 115.75 2doa n LYS 61 Ca 0.33 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.64 2doa n LYS 61 Cb 0.95 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.87 2doa n LYS 61 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2doa h ASP 62 N 0.00 0.25 -0.07 3.14 5.19 -2.02 -3.48 116.42 119.43 2doa h ASP 62 Ca 0.00 -0.29 -0.01 0.00 -0.62 0.00 0.00 57.03 56.11 2doa h ASP 62 Cb 0.00 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 2doa h ASP 62 CO 0.00 1.23 -0.01 0.61 -3.12 0.00 0.00 179.24 177.95 2doa n GLY 63 N 1.50 0.35 3.82 2.75 0.00 -1.26 -5.02 105.19 107.33 2doa n GLY 63 Ca -0.08 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.03 5.21 -0.36 2.61 2.01 -1.26 -3.79 115.64 118.04 2doa s THR 64 Ca 0.00 0.62 -0.12 0.00 0.31 0.00 0.00 61.69 62.50 2doa s THR 64 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.90 2doa s THR 64 CO 0.00 0.55 0.23 0.00 -0.69 0.00 0.00 174.62 174.71 2doa s THR 66 N 1.65 5.05 0.40 0.00 -4.23 -0.90 -2.11 115.64 115.50 2doa s THR 66 Ca 0.05 0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.34 2doa s THR 66 Cb -0.18 -3.18 -0.09 0.00 1.34 0.00 0.00 72.50 70.39 2doa s THR 66 CO 0.09 0.61 1.22 -0.22 -0.54 0.00 0.00 174.62 175.77 2doa s LEU 67 N -0.93 4.21 0.00 4.79 2.96 -1.26 -0.68 118.68 127.78 2doa s LEU 67 Ca 0.14 2.46 -0.15 0.00 -0.22 0.00 0.00 54.13 56.36 2doa s LEU 67 Cb -0.12 -3.96 0.22 0.00 0.50 0.00 0.00 46.19 42.83 2doa s LEU 67 CO 0.03 -0.73 0.77 0.00 -1.32 0.00 0.00 176.35 175.10 2doa n GLN 68 N 0.14 -2.63 -0.05 1.98 6.02 -1.26 -4.88 117.38 116.70 2doa n GLN 68 Ca 0.04 -1.23 -0.10 0.00 -0.01 0.00 0.00 57.00 55.70 2doa n GLN 68 Cb 0.45 -1.17 -0.15 0.00 1.02 0.00 0.00 30.24 30.40 2doa n GLN 68 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2doa n ASP 69 N -4.37 0.77 0.05 1.08 9.92 -1.26 -4.06 116.55 118.68 2doa n ASP 69 Ca 0.11 0.25 -0.08 0.00 -0.53 0.00 0.00 54.79 54.54 2doa n ASP 69 Cb 0.42 0.16 -0.12 0.00 -0.64 0.00 0.00 41.12 40.93 2doa n ASP 69 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2doa h MET 71 N 0.01 0.00 -0.21 0.00 2.86 -1.96 -2.36 114.93 113.26 2doa h MET 71 Ca -0.07 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 2doa h MET 71 Cb 1.83 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.48 2doa h MET 71 CO 0.13 0.21 0.20 1.88 1.06 0.00 0.00 176.91 180.39 2doa h TYR 72 N 0.00 0.00 0.00 -0.22 0.05 -1.70 0.24 116.97 115.34 2doa h TYR 72 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2doa h TYR 72 Cb 0.42 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 2doa h TYR 72 CO 0.00 0.00 -0.01 0.87 -1.05 0.00 0.00 178.16 177.97 2doa h LYS 73 N 0.00 0.00 -1.00 4.88 1.57 -1.63 -1.21 116.57 119.19 2doa h LYS 73 Ca 0.10 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.43 2doa h LYS 73 Cb 0.50 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 32.55 2doa h LYS 73 CO -0.00 0.01 0.57 -0.25 -0.57 0.00 0.00 179.45 179.21 2doa n ASP 74 N -3.47 3.71 -4.41 0.86 9.92 0.07 -4.88 116.55 118.36 2doa n ASP 74 Ca -0.03 -3.39 -0.41 0.00 -0.53 0.00 0.00 54.79 50.43 2doa n ASP 74 Cb 0.09 -0.80 -0.11 0.00 -0.64 0.00 0.00 41.12 39.67 2doa n ASP 74 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2doa s VAL 75 N -2.87 4.77 1.00 2.53 1.01 -0.46 -4.95 120.40 121.43 2doa s VAL 75 Ca 0.49 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 2doa s VAL 75 Cb 0.41 -3.62 0.19 0.00 0.00 0.00 0.00 36.38 33.36 2doa s VAL 75 CO 0.09 -0.20 1.09 -1.10 0.00 0.00 0.00 175.10 174.98 2doa s GLN 76 N 1.60 0.43 -0.08 2.72 -0.21 -1.26 -5.00 119.66 117.85 2doa s GLN 76 Ca 0.03 0.59 0.10 0.00 0.02 0.00 0.00 55.36 56.10 2doa s GLN 76 Cb -0.19 -1.73 -0.15 0.00 1.00 0.00 0.00 33.01 31.94 2doa s GLN 76 CO 0.08 -2.75 0.09 1.63 -2.12 0.00 0.00 175.29 172.22 2doa n LYS 77 N -4.20 1.74 -1.21 2.91 4.76 -1.26 -4.57 118.16 116.34 2doa n LYS 77 Ca 0.05 -0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.18 2doa n LYS 77 Cb 0.57 -1.28 0.06 0.00 -1.84 0.00 0.00 35.03 32.54 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2doa n ASP 78 N -2.28 7.23 -4.62 4.39 -0.08 -1.26 -4.95 116.55 114.98 2doa n ASP 78 Ca -0.14 -3.52 -0.43 0.00 -1.51 0.00 0.00 54.79 49.20 2doa n ASP 78 Cb 0.72 -1.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.13 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 2doa s TRP 79 N -3.06 2.46 0.63 -0.67 -0.11 -1.26 -4.88 118.94 112.05 2doa s TRP 79 Ca 0.52 0.74 0.33 0.00 1.22 0.00 0.00 56.10 58.91 2doa s TRP 79 Cb 0.41 -4.05 1.83 0.00 -1.50 0.00 0.00 33.47 30.16 2doa s TRP 79 CO -0.04 -2.07 2.10 -1.35 -4.62 0.00 0.00 176.95 170.98 2doa h PRO 80 N 10.11 0.00 -0.22 5.86 0.11 -1.98 -2.59 132.00 143.29 2doa h PRO 80 Ca -0.28 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.87 2doa h PRO 80 Cb 1.11 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 2doa h PRO 80 CO 1.04 0.00 -0.07 0.78 -0.21 0.00 0.00 178.00 179.54 2doa h GLY 81 N 0.00 0.14 -0.89 -0.55 0.00 -1.94 -3.43 103.07 96.39 2doa h GLY 81 Ca 0.04 0.09 -0.42 0.00 0.00 0.00 0.00 47.33 47.04 2doa h GLY 81 CO -0.00 -0.10 0.22 -0.19 0.00 0.00 0.00 176.54 176.47 2doa s TYR 82 N -6.20 0.64 0.05 5.60 2.02 -0.98 -5.04 117.35 113.43 2doa s TYR 82 Ca -0.14 0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.95 2doa s TYR 82 Cb 0.11 -3.70 0.00 0.00 -0.40 0.00 0.00 41.96 37.97 2doa s TYR 82 CO 0.69 -3.62 0.00 0.45 -1.57 0.00 0.00 175.55 171.50 2doa n SER 83 N -4.52 -0.11 0.10 2.29 2.88 -1.26 -4.99 113.62 108.00 2doa n SER 83 Ca 0.15 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2doa n SER 83 Cb 0.60 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 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 -2.64 0.00 0.01 -1.46 1.02 -1.26 -4.79 120.64 111.52 2doa n GLU 84 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2doa n GLU 84 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 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 0.08 1.83 0.62 0.00 -2.00 -2.26 103.07 101.34 2doa h GLY 85 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2doa h GLY 85 CO 0.00 0.02 -0.01 -0.55 0.00 0.00 0.00 176.54 176.00 2doa h ASP 86 N 0.06 0.20 0.13 0.19 3.32 -1.97 -1.41 116.42 116.95 2doa h ASP 86 Ca 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 2doa h ASP 86 Cb 0.01 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2doa h ASP 86 CO -0.02 0.25 -0.06 1.56 -1.72 0.00 0.00 179.24 179.25 2doa h GLN 87 N 0.22 -0.17 -0.38 3.56 1.08 -1.74 0.24 115.11 117.92 2doa h GLN 87 Ca 0.05 0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 2doa h GLN 87 Cb 0.17 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2doa h GLN 87 CO 0.00 0.01 -0.09 1.96 -0.95 0.00 0.00 178.83 179.77 2doa h GLN 88 N -0.33 0.66 -0.11 1.46 4.20 -1.17 -2.65 115.11 117.16 2doa h GLN 88 Ca -0.02 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 2doa h GLN 88 Cb 0.27 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2doa h GLN 88 CO 0.03 0.74 0.02 1.25 -0.67 0.00 0.00 178.83 180.19 2doa h LEU 89 N 0.60 0.18 -1.97 1.46 5.85 -1.11 -2.77 115.31 117.54 2doa h LEU 89 Ca 0.11 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2doa h LEU 89 Cb 0.52 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2doa h LEU 89 CO 0.03 0.40 0.09 0.25 -0.34 0.00 0.00 178.44 178.87 2doa h LEU 90 N -0.05 0.03 0.57 2.25 5.85 -0.84 -2.27 115.31 120.84 2doa h LEU 90 Ca 0.03 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2doa h LEU 90 Cb 0.30 -0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.33 2doa h LEU 90 CO 0.00 0.02 -0.27 0.11 -0.34 0.00 0.00 178.44 177.96 2doa h LYS 91 N 0.03 -0.74 -0.09 1.25 1.57 -1.19 -1.94 116.57 115.46 2doa h LYS 91 Ca 0.06 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 2doa h LYS 91 Cb 0.19 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 2doa h LYS 91 CO -0.00 -0.44 0.06 0.07 -0.57 0.00 0.00 179.45 178.57 2doa h ARG 92 N -0.91 0.06 -0.37 3.15 0.11 -1.35 -2.07 114.38 113.01 2doa h ARG 92 Ca -0.08 -0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 2doa h ARG 92 Cb 0.64 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.69 2doa h ARG 92 CO 0.13 0.04 -0.01 0.28 0.10 0.00 0.00 179.97 180.51 2doa h VAL 93 N 0.06 1.26 -0.11 0.08 2.07 -1.19 0.42 116.25 118.85 2doa h VAL 93 Ca 0.04 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 2doa h VAL 93 Cb 0.08 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2doa h VAL 93 CO -0.00 0.33 -0.18 -0.07 0.02 0.00 0.00 177.57 177.66 2doa h LEU 94 N 0.47 0.17 0.05 2.57 3.38 -0.66 -2.30 115.31 118.97 2doa h LEU 94 Ca 0.10 -0.04 -0.24 0.00 0.09 0.00 0.00 57.88 57.80 2doa h LEU 94 Cb 0.47 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2doa h LEU 94 CO 0.02 0.37 -1.11 0.58 0.09 0.00 0.00 178.44 178.39 2doa h VAL 95 N 0.16 1.62 -0.12 1.22 2.07 -1.23 -1.08 116.25 118.90 2doa h VAL 95 Ca 0.03 -3.28 -0.10 0.00 0.82 0.00 0.00 66.70 64.17 2doa h VAL 95 Cb 0.43 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 2doa h VAL 95 CO 0.03 0.94 -0.37 0.03 0.02 0.00 0.00 177.57 178.22 2doa h ARG 96 N 0.03 0.24 0.00 1.57 2.47 -0.52 -3.32 114.38 114.85 2doa h ARG 96 Ca -0.06 -0.11 -0.09 0.00 -1.26 0.00 0.00 59.98 58.46 2doa h ARG 96 Cb 1.85 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 30.15 2doa h ARG 96 CO 0.15 0.59 -0.77 0.87 0.56 0.00 0.00 179.97 181.37 2doa h LYS 97 N 0.21 0.00 -6.09 0.04 1.79 -1.48 -3.45 116.57 107.59 2doa h LYS 97 Ca 0.02 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.91 2doa h LYS 97 Cb 0.75 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.34 2doa h LYS 97 CO 0.06 0.43 0.79 -0.51 -1.08 0.00 0.00 179.45 179.14 2doa s LEU 98 N -8.10 4.09 -0.15 2.94 1.43 -0.41 -5.01 118.68 113.46 2doa s LEU 98 Ca -0.20 1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 54.17 2doa s LEU 98 Cb 0.03 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.78 2doa s LEU 98 CO 0.37 -0.68 0.37 -0.44 0.23 0.00 0.00 176.35 176.20 2doa s SER 99 N 1.24 -0.43 -0.13 2.29 0.01 -1.26 -4.51 113.70 110.91 2doa s SER 99 Ca 0.44 0.80 -0.03 0.00 1.31 0.00 0.00 55.95 58.47 2doa s SER 99 Cb -0.15 0.70 0.01 0.00 0.21 0.00 0.00 66.02 66.80 2doa s SER 99 CO 0.07 -0.19 0.06 0.61 0.41 0.00 0.00 173.24 174.20 2doa n GLY 100 N 4.32 -3.85 3.55 3.44 0.00 -1.26 -4.84 105.19 106.56 2doa n GLY 100 Ca -0.23 0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.83 2.46 0.21 1.61 0.04 -1.26 -4.89 135.00 132.33 2doa s PRO 101 Ca -0.07 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.36 2doa s PRO 101 Cb 0.00 -4.56 0.05 0.00 0.04 0.00 0.00 34.50 30.03 2doa s PRO 101 CO 0.40 -3.04 0.64 -1.12 0.04 0.00 0.00 177.00 173.92 2doa s SER 102 N 9.04 -0.41 -0.66 6.66 0.01 -1.26 -5.11 113.70 121.95 2doa s SER 102 Ca 0.75 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.72 2doa s SER 102 Cb -0.12 0.65 0.17 0.00 0.21 0.00 0.00 66.02 66.92 2doa s SER 102 CO 0.18 -1.12 0.47 -0.55 0.41 0.00 0.00 173.24 172.62 2doa s SER 103 N -2.83 5.08 0.00 2.44 0.15 -1.26 -5.16 113.70 112.12 2doa s SER 103 Ca 0.06 -3.23 0.00 0.00 0.70 0.00 0.00 55.95 53.48 2doa s SER 103 Cb -0.03 -1.78 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2doa s SER 103 CO -0.04 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.76