#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 4.19 0.08 1.61 0.01 -1.26 -5.09 113.70 113.24 2doa s SER 2 Ca 0.00 -1.49 -0.26 0.00 1.31 0.00 0.00 55.95 55.51 2doa s SER 2 Cb 0.00 -1.32 0.08 0.00 0.21 0.00 0.00 66.02 64.99 2doa s SER 2 CO 0.00 -0.28 0.67 -0.94 0.41 0.00 0.00 173.24 173.10 2doa s SER 3 N 1.25 -0.56 -0.30 2.44 1.04 -1.26 -5.18 113.70 111.14 2doa s SER 3 Ca -0.01 0.18 -0.24 0.00 0.48 0.00 0.00 55.95 56.37 2doa s SER 3 Cb -0.19 0.55 0.19 0.00 0.10 0.00 0.00 66.02 66.67 2doa s SER 3 CO -0.08 -0.82 1.37 -0.83 0.98 0.00 0.00 173.24 173.86 2doa s GLY 4 N -2.29 0.34 0.28 7.32 0.00 -1.26 -5.19 107.32 106.52 2doa s GLY 4 Ca -0.01 3.48 0.02 0.00 0.00 0.00 0.00 44.72 48.21 2doa s GLY 4 CO -0.07 2.05 0.11 -0.56 0.00 0.00 0.00 173.10 174.63 2doa s SER 5 N 0.20 1.43 0.10 1.64 0.01 -1.26 -5.05 113.70 110.77 2doa s SER 5 Ca 0.05 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 55.87 2doa s SER 5 Cb -0.05 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2doa s SER 5 CO -0.14 -0.77 0.00 -1.20 0.41 0.00 0.00 173.24 171.54 2doa n SER 6 N -0.63 -0.92 -0.97 2.44 7.64 -1.26 -5.03 113.62 114.89 2doa n SER 6 Ca -0.00 0.31 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 2doa n SER 6 Cb 0.66 1.10 -0.02 0.00 -1.01 0.00 0.00 64.21 64.94 2doa n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doa n GLY 7 N -1.24 0.52 0.02 0.23 0.00 -1.26 -4.88 105.19 98.58 2doa n GLY 7 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.39 0.20 0.22 1.61 0.31 -1.26 -4.66 118.33 111.36 2doa n VAL 8 Ca -0.11 -0.08 0.07 0.00 -0.01 0.00 0.00 64.34 64.20 2doa n VAL 8 Cb 0.47 -0.68 0.57 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.05 -0.73 4.52 0.02 -1.90 -2.33 113.55 113.19 2doa h SER 9 Ca -0.08 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2doa h SER 9 Cb 1.13 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 2doa h SER 9 CO -0.01 0.10 0.47 -0.61 -1.14 0.00 0.00 176.83 175.64 2doa h GLN 10 N 0.06 0.91 -7.12 3.45 4.15 -1.99 -3.43 115.11 111.15 2doa h GLN 10 Ca 0.02 -0.05 -0.50 0.00 0.77 0.00 0.00 58.65 58.88 2doa h GLN 10 Cb 0.10 -0.21 0.08 0.00 0.21 0.00 0.00 27.48 27.67 2doa h GLN 10 CO 0.00 0.60 0.42 1.03 -1.93 0.00 0.00 178.83 178.95 2doa s ARG 11 N -6.12 3.19 1.05 1.69 1.81 -0.88 -4.99 118.95 114.70 2doa s ARG 11 Ca -0.13 1.56 -0.17 0.00 -1.72 0.00 0.00 55.73 55.27 2doa s ARG 11 Cb 0.15 -1.99 0.05 0.00 -0.45 0.00 0.00 34.95 32.72 2doa s ARG 11 CO 0.77 -0.97 0.04 -2.30 -0.68 0.00 0.00 175.30 172.17 2doa n PRO 12 N -1.61 -0.98 -0.07 3.54 -0.02 -1.26 -4.86 135.00 129.74 2doa n PRO 12 Ca 0.11 -0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.20 2doa n PRO 12 Cb 0.51 -1.69 -0.06 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.79 0.70 -0.93 6.00 3.57 -1.94 -3.12 116.94 119.43 2doa h PHE 13 Ca -0.49 -0.22 0.01 0.00 3.53 0.00 0.00 57.97 60.79 2doa h PHE 13 Cb 1.33 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.88 2doa h PHE 13 CO 0.24 0.94 0.60 -0.09 -2.23 0.00 0.00 178.31 177.77 2doa h ARG 14 N 0.27 1.24 -0.14 1.11 2.43 -1.99 -1.49 114.38 115.81 2doa h ARG 14 Ca 0.03 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2doa h ARG 14 Cb 0.84 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2doa h ARG 14 CO 0.07 0.83 0.09 -0.44 -1.51 0.00 0.00 179.97 179.00 2doa h ASP 15 N 1.27 0.16 0.38 -3.80 5.19 -1.90 0.33 116.42 118.05 2doa h ASP 15 Ca 0.34 -0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.50 2doa h ASP 15 Cb -0.12 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.35 2doa h ASP 15 CO -0.07 0.12 -1.02 0.03 -3.12 0.00 0.00 179.24 175.17 2doa h ARG 16 N 0.19 0.40 0.03 3.56 3.08 -1.24 -2.90 114.38 117.50 2doa h ARG 16 Ca 0.05 -0.47 -0.21 0.00 0.07 0.00 0.00 59.98 59.41 2doa h ARG 16 Cb -0.02 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2doa h ARG 16 CO -0.01 1.15 -0.97 0.28 -1.07 0.00 0.00 179.97 179.34 2doa h VAL 17 N 0.20 1.56 0.03 2.04 2.07 -0.76 -2.89 116.25 118.49 2doa h VAL 17 Ca -0.10 -2.92 -0.00 0.00 0.82 0.00 0.00 66.70 64.50 2doa h VAL 17 Cb 1.68 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 2doa h VAL 17 CO 0.18 0.84 -0.01 0.25 0.02 0.00 0.00 177.57 178.85 2doa h LEU 18 N 0.06 -0.03 -1.49 2.57 5.85 -0.43 -0.98 115.31 120.87 2doa h LEU 18 Ca -0.05 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 2doa h LEU 18 Cb 1.66 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.69 2doa h LEU 18 CO 0.14 0.29 -0.12 0.45 -0.34 0.00 0.00 178.44 178.87 2doa h HIS 19 N -0.35 0.20 0.29 1.25 3.86 -1.61 0.52 115.15 119.30 2doa h HIS 19 Ca -0.00 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2doa h HIS 19 Cb 0.33 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.75 2doa h HIS 19 CO 0.03 0.31 -0.14 -0.07 0.86 0.00 0.00 177.93 178.92 2doa h LEU 20 N 0.18 -0.33 -1.59 2.43 3.38 -1.38 -3.03 115.31 114.97 2doa h LEU 20 Ca 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2doa h LEU 20 Cb 0.32 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2doa h LEU 20 CO 0.02 0.12 -0.13 -0.07 0.09 0.00 0.00 178.44 178.47 2doa h LEU 21 N -0.90 0.09 -0.87 1.67 3.38 -1.10 -2.56 115.31 115.03 2doa h LEU 21 Ca -0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 21 Cb 0.51 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2doa h LEU 21 CO 0.07 0.24 0.57 0.00 0.09 0.00 0.00 178.44 179.40 2doa h ALA 22 N 1.77 1.13 -0.15 1.53 0.00 -0.90 -2.75 119.26 119.88 2doa h ALA 22 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2doa h ALA 22 Cb 0.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2doa h ALA 22 CO 0.02 0.44 0.03 -0.07 0.00 0.00 0.00 179.25 179.67 2doa h LEU 23 N 1.12 0.23 -7.01 0.00 3.38 -1.33 -3.48 115.31 108.23 2doa h LEU 23 Ca 0.33 -0.24 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2doa h LEU 23 Cb -0.05 -0.06 -0.17 0.00 0.09 0.00 0.00 40.66 40.47 2doa h LEU 23 CO -0.10 0.41 0.65 0.00 0.09 0.00 0.00 178.44 179.49 2doa s ARG 24 N -5.25 0.57 0.13 1.13 1.70 -1.04 -4.99 118.95 111.21 2doa s ARG 24 Ca -0.14 -0.21 -0.35 0.00 -0.47 0.00 0.00 55.73 54.56 2doa s ARG 24 Cb 0.06 0.26 -0.15 0.00 -0.57 0.00 0.00 34.95 34.56 2doa s ARG 24 CO 0.71 -0.25 1.52 -2.30 -1.08 0.00 0.00 175.30 173.90 2doa n PRO 25 N -0.18 1.86 -3.95 3.89 -0.02 -1.26 -4.24 135.00 131.11 2doa n PRO 25 Ca -0.04 0.67 -0.29 0.00 -2.02 0.00 0.00 63.50 61.82 2doa n PRO 25 Cb 0.60 -2.41 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 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 0.92 1.97 1.27 6.00 2.02 -0.48 -4.91 117.35 124.15 2doa s TYR 26 Ca 0.81 -1.22 -0.19 0.00 -0.37 0.00 0.00 57.07 56.10 2doa s TYR 26 Cb -0.76 -1.45 0.31 0.00 -0.40 0.00 0.00 41.96 39.66 2doa s TYR 26 CO 0.41 -0.65 1.02 1.03 -1.57 0.00 0.00 175.55 175.79 2doa s ARG 27 N 1.55 -1.72 0.04 -0.62 0.52 -1.26 -2.68 118.95 114.77 2doa s ARG 27 Ca 0.01 0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 55.21 2doa s ARG 27 Cb -0.15 -1.51 -0.17 0.00 0.52 0.00 0.00 34.95 33.64 2doa s ARG 27 CO -0.08 -4.10 1.50 0.87 0.02 0.00 0.00 175.30 173.51 2doa h LYS 28 N -2.87 0.03 -0.08 3.54 1.79 -1.96 0.07 116.57 117.09 2doa h LYS 28 Ca -0.49 -0.01 -0.22 0.00 -2.18 0.00 0.00 60.65 57.75 2doa h LYS 28 Cb 1.32 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.98 2doa h LYS 28 CO 0.37 0.27 -0.81 0.00 -1.08 0.00 0.00 179.45 178.20 2doa h ALA 29 N 0.76 0.21 -0.29 3.86 0.00 -1.92 -1.43 119.26 120.45 2doa h ALA 29 Ca 0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2doa h ALA 29 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2doa h ALA 29 CO 0.00 0.61 0.04 1.49 0.00 0.00 0.00 179.25 181.39 2doa h GLU 30 N 0.39 0.42 0.07 0.00 4.22 -1.92 -2.37 114.58 115.39 2doa h GLU 30 Ca -0.08 -0.07 -0.26 0.00 0.08 0.00 0.00 59.36 59.03 2doa h GLU 30 Cb 1.46 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 2doa h GLU 30 CO 0.16 0.42 -1.28 1.25 -2.18 0.00 0.00 179.01 177.39 2doa h LEU 31 N 0.41 0.23 -0.19 1.64 5.85 -0.97 -3.26 115.31 119.02 2doa h LEU 31 Ca 0.10 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2doa h LEU 31 Cb 0.22 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2doa h LEU 31 CO 0.00 1.22 0.12 -0.07 -0.34 0.00 0.00 178.44 179.38 2doa h LEU 32 N 0.04 0.22 -1.63 2.25 3.38 -0.83 0.44 115.31 119.18 2doa h LEU 32 Ca -0.13 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2doa h LEU 32 Cb 1.92 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2doa h LEU 32 CO 0.16 0.18 0.11 -0.07 0.09 0.00 0.00 178.44 178.91 2doa h LEU 33 N 0.25 0.32 -0.03 1.67 3.38 -1.56 -0.31 115.31 119.02 2doa h LEU 33 Ca 0.07 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2doa h LEU 33 Cb -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2doa h LEU 33 CO -0.01 0.29 -0.14 -0.09 0.09 0.00 0.00 178.44 178.58 2doa h ARG 34 N 0.36 0.15 -0.07 1.13 1.12 -1.45 -3.04 114.38 112.56 2doa h ARG 34 Ca 0.09 -0.12 -0.04 0.00 -1.11 0.00 0.00 59.98 58.81 2doa h ARG 34 Cb 0.06 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 2doa h ARG 34 CO -0.01 0.77 -0.13 -0.07 -3.11 0.00 0.00 179.97 177.42 2doa h LEU 35 N -0.44 0.10 -1.19 3.80 3.38 -0.64 -2.01 115.31 118.30 2doa h LEU 35 Ca -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2doa h LEU 35 Cb 0.79 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2doa h LEU 35 CO 0.03 0.24 -0.35 1.56 0.09 0.00 0.00 178.44 180.01 2doa h GLN 36 N 0.11 0.10 0.42 1.13 4.20 -1.07 0.22 115.11 120.21 2doa h GLN 36 Ca 0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2doa h GLN 36 Cb 0.29 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2doa h GLN 36 CO 0.02 0.44 -0.23 0.87 -0.67 0.00 0.00 178.83 179.25 2doa h LYS 37 N 0.09 -0.59 0.10 1.46 1.57 -1.24 -3.17 116.57 114.78 2doa h LYS 37 Ca 0.01 0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.55 2doa h LYS 37 Cb 0.66 0.13 0.02 0.00 0.08 0.00 0.00 32.23 33.12 2doa h LYS 37 CO 0.05 -0.39 -1.18 -0.44 -0.57 0.00 0.00 179.45 176.92 2doa h ASP 38 N -0.61 0.66 0.00 0.86 3.32 -1.59 -3.48 116.42 115.58 2doa h ASP 38 Ca -0.05 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.39 2doa h ASP 38 Cb 0.49 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2doa h ASP 38 CO 0.07 1.44 0.00 0.61 -1.72 0.00 0.00 179.24 179.64 2doa n GLY 39 N 1.32 2.61 3.60 2.75 0.00 0.75 -4.76 105.19 111.46 2doa n GLY 39 Ca -0.10 0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.67 0.21 0.99 2.96 -1.20 -4.40 118.68 116.57 2doa s LEU 40 Ca 0.00 1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.00 2doa s LEU 40 Cb 0.00 2.38 -0.03 0.00 0.50 0.00 0.00 46.19 49.04 2doa s LEU 40 CO 0.00 -0.33 0.26 0.28 -1.32 0.00 0.00 176.35 175.24 2doa s THR 41 N -0.09 0.01 0.54 3.68 -1.32 -1.26 -4.91 115.64 112.28 2doa s THR 41 Ca -0.02 -1.76 0.27 0.00 -1.21 0.00 0.00 61.69 58.97 2doa s THR 41 Cb -0.04 -2.35 0.42 0.00 -1.51 0.00 0.00 72.50 69.02 2doa s THR 41 CO 0.02 -0.03 1.97 -0.61 -2.21 0.00 0.00 174.62 173.76 2doa h GLN 42 N 2.49 0.00 0.00 7.08 5.75 -2.03 0.71 115.11 129.12 2doa h GLN 42 Ca -0.32 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.06 2doa h GLN 42 Cb 1.25 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.78 2doa h GLN 42 CO 0.47 0.00 -0.56 0.00 -2.65 0.00 0.00 178.83 176.08 2doa h ALA 43 N 1.67 1.04 0.00 3.38 0.00 -2.02 -3.18 119.26 120.16 2doa h ALA 43 Ca 0.29 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 2doa h ALA 43 Cb 1.19 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2doa h ALA 43 CO -0.00 0.71 -1.88 -0.25 0.00 0.00 0.00 179.25 177.82 2doa n ASP 44 N -3.83 0.38 0.31 0.00 8.00 0.93 -4.04 116.55 118.29 2doa n ASP 44 Ca -0.01 0.17 -0.18 0.00 0.71 0.00 0.00 54.79 55.48 2doa n ASP 44 Cb 0.58 0.84 -0.09 0.00 -0.02 0.00 0.00 41.12 42.43 2doa n ASP 44 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2doa h LYS 45 N 0.00 -0.94 -0.59 -1.24 1.79 0.25 0.13 116.57 115.96 2doa h LYS 45 Ca -0.26 0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.29 2doa h LYS 45 Cb 1.69 0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 32.53 2doa h LYS 45 CO 0.03 -0.63 0.39 0.38 -1.08 0.00 0.00 179.45 178.55 2doa h ASP 46 N -0.98 0.66 0.06 0.86 2.03 -1.77 -1.60 116.42 115.69 2doa h ASP 46 Ca -0.06 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.14 2doa h ASP 46 Cb 0.84 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 39.16 2doa h ASP 46 CO -0.02 0.47 -0.26 0.00 -1.03 0.00 0.00 179.24 178.40 2doa h ALA 47 N 1.64 1.24 -0.19 4.15 0.00 -1.59 -2.64 119.26 121.87 2doa h ALA 47 Ca 0.22 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.84 2doa h ALA 47 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2doa h ALA 47 CO -0.05 0.50 0.13 1.25 0.00 0.00 0.00 179.25 181.08 2doa h LEU 48 N 0.29 0.13 0.08 0.00 5.85 0.29 0.58 115.31 122.52 2doa h LEU 48 Ca 0.04 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2doa h LEU 48 Cb 0.61 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.61 2doa h LEU 48 CO 0.04 0.09 -0.04 -0.78 -0.34 0.00 0.00 178.44 177.42 2doa h ASP 49 N 0.15 -0.09 0.70 1.25 1.82 -1.47 -1.84 116.42 116.94 2doa h ASP 49 Ca 0.08 -0.31 -0.09 0.00 -0.39 0.00 0.00 57.03 56.32 2doa h ASP 49 Cb 0.14 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 2doa h ASP 49 CO -0.01 0.27 -0.41 1.23 -1.61 0.00 0.00 179.24 178.71 2doa h GLY 50 N -0.47 0.00 0.83 -0.78 0.00 -1.50 -3.02 103.07 98.14 2doa h GLY 50 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 2doa h GLY 50 CO 0.02 0.00 -0.25 -2.00 0.00 0.00 0.00 176.54 174.30 2doa h LEU 51 N 0.00 0.54 -0.97 3.11 5.85 -0.85 -3.14 115.31 119.85 2doa h LEU 51 Ca -0.00 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2doa h LEU 51 Cb 0.87 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 2doa h LEU 51 CO 0.05 0.95 0.62 -0.07 -0.34 0.00 0.00 178.44 179.65 2doa h LEU 52 N 0.15 1.14 -2.35 2.25 3.38 -1.30 0.30 115.31 118.88 2doa h LEU 52 Ca 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 52 Cb 0.82 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2doa h LEU 52 CO 0.06 0.85 -0.01 1.56 0.09 0.00 0.00 178.44 180.99 2doa h GLN 53 N 1.33 0.00 0.00 1.13 4.20 -1.51 0.85 115.11 121.11 2doa h GLN 53 Ca 0.35 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.87 2doa h GLN 53 Cb -0.12 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2doa h GLN 53 CO -0.07 0.01 -1.33 1.04 -0.67 0.00 0.00 178.83 177.80 2doa n GLN 54 N -3.98 0.54 -1.15 1.46 6.02 -0.52 -4.43 117.38 115.32 2doa n GLN 54 Ca -0.03 0.44 -0.25 0.00 -0.01 0.00 0.00 57.00 57.15 2doa n GLN 54 Cb 0.09 -1.63 0.12 0.00 1.02 0.00 0.00 30.24 29.84 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 -4.44 3.16 -3.60 5.09 0.24 0.94 -4.93 118.33 114.78 2doa n VAL 55 Ca -0.29 -2.09 0.00 0.00 -2.04 0.00 0.00 64.34 59.93 2doa n VAL 55 Cb 0.60 -0.82 -0.01 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.10 -2.28 -0.08 2.33 0.00 0.29 -4.58 121.76 114.33 2doa s ALA 56 Ca 0.53 1.14 0.01 0.00 0.00 0.00 0.00 51.96 53.64 2doa s ALA 56 Cb 0.43 0.11 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2doa s ALA 56 CO 0.05 -0.89 -0.10 -0.80 0.00 0.00 0.00 175.76 174.02 2doa s ASN 57 N -2.68 1.90 0.84 0.00 0.01 0.02 -4.10 114.94 110.92 2doa s ASN 57 Ca 0.13 -0.29 -0.11 0.00 -0.71 0.00 0.00 52.86 51.88 2doa s ASN 57 Cb 0.04 -0.82 0.10 0.00 0.41 0.00 0.00 41.25 40.98 2doa s ASN 57 CO -0.05 -0.03 1.09 -0.04 -1.51 0.00 0.00 177.10 176.57 2doa s MET 58 N 1.09 1.69 0.04 -0.60 -1.94 -1.26 -1.73 119.30 116.58 2doa s MET 58 Ca -0.07 0.95 0.07 0.00 -1.71 0.00 0.00 55.69 54.94 2doa s MET 58 Cb -0.14 -1.85 -0.02 0.00 2.01 0.00 0.00 34.83 34.82 2doa s MET 58 CO -0.01 -1.98 -0.20 0.45 -0.01 0.00 0.00 175.02 173.27 2doa s SER 59 N -3.43 2.39 0.16 3.03 0.15 -1.19 -4.91 113.70 109.90 2doa s SER 59 Ca 0.62 -0.50 -0.24 0.00 0.70 0.00 0.00 55.95 56.53 2doa s SER 59 Cb -0.17 -0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 63.86 2doa s SER 59 CO 0.56 0.15 0.76 0.00 1.20 0.00 0.00 173.24 175.92 2doa s ALA 60 N -0.78 3.46 -1.71 5.45 0.00 -1.26 -1.25 121.76 125.66 2doa s ALA 60 Ca 0.07 0.32 -0.01 0.00 0.00 0.00 0.00 51.96 52.34 2doa s ALA 60 Cb -0.09 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2doa s ALA 60 CO 0.02 0.30 0.12 1.17 0.00 0.00 0.00 175.76 177.37 2doa n LYS 61 N 1.52 -2.27 0.08 0.00 3.00 -1.26 -4.62 118.16 114.61 2doa n LYS 61 Ca -0.06 0.98 0.00 0.00 -0.00 0.00 0.00 58.31 59.23 2doa n LYS 61 Cb 0.49 -5.66 0.00 0.00 0.00 0.00 0.00 35.03 29.86 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2doa n ASP 62 N -2.03 -1.46 -0.16 3.14 8.00 -1.25 -5.05 116.55 117.75 2doa n ASP 62 Ca -0.22 0.31 -0.01 0.00 0.71 0.00 0.00 54.79 55.58 2doa n ASP 62 Cb 0.67 1.68 -0.00 0.00 -0.02 0.00 0.00 41.12 43.45 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 -1.50 0.32 3.61 0.44 0.00 -0.38 -4.99 105.19 102.69 2doa n GLY 63 Ca 0.00 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.07 5.25 -0.10 2.61 2.01 -1.26 -3.64 115.64 118.44 2doa s THR 64 Ca 0.00 0.37 -0.26 0.00 0.31 0.00 0.00 61.69 62.11 2doa s THR 64 Cb 0.00 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 2doa s THR 64 CO 0.00 0.22 0.84 0.00 -0.69 0.00 0.00 174.62 174.99 2doa s THR 66 N 1.56 2.64 0.57 0.00 -4.23 -0.71 -1.38 115.64 114.09 2doa s THR 66 Ca 0.41 -1.04 -0.18 0.00 -1.18 0.00 0.00 61.69 59.71 2doa s THR 66 Cb -0.18 -2.04 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2doa s THR 66 CO 0.17 0.48 1.09 -0.22 -0.54 0.00 0.00 174.62 175.60 2doa s LEU 67 N -1.00 3.64 0.80 4.79 2.96 -1.26 -0.80 118.68 127.80 2doa s LEU 67 Ca 0.12 2.00 -0.12 0.00 -0.22 0.00 0.00 54.13 55.92 2doa s LEU 67 Cb -0.10 -4.56 0.08 0.00 0.50 0.00 0.00 46.19 42.10 2doa s LEU 67 CO 0.02 -1.20 1.16 -1.10 -1.32 0.00 0.00 176.35 173.92 2doa s GLN 68 N -3.63 2.02 0.06 1.98 -0.21 -1.26 -4.89 119.66 113.74 2doa s GLN 68 Ca 0.68 0.10 -0.14 0.00 0.02 0.00 0.00 55.36 56.03 2doa s GLN 68 Cb -0.20 -1.97 -0.28 0.00 1.00 0.00 0.00 33.01 31.56 2doa s GLN 68 CO 0.31 -1.55 1.11 -0.44 -2.12 0.00 0.00 175.29 172.60 2doa h ASP 69 N -1.01 0.84 0.74 5.90 3.32 -1.98 -3.24 116.42 120.99 2doa h ASP 69 Ca -0.46 -0.78 -0.22 0.00 0.02 0.00 0.00 57.03 55.60 2doa h ASP 69 Cb 1.32 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 2doa h ASP 69 CO 0.66 1.59 -0.99 0.00 -1.72 0.00 0.00 179.24 178.78 2doa h MET 71 N 0.06 0.00 -0.44 0.00 2.86 -1.96 -1.83 114.93 113.62 2doa h MET 71 Ca -0.05 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 2doa h MET 71 Cb 1.68 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.32 2doa h MET 71 CO 0.14 0.04 0.31 1.88 1.06 0.00 0.00 176.91 180.34 2doa h TYR 72 N 0.00 0.12 -0.14 -0.22 0.05 -1.58 0.22 116.97 115.42 2doa h TYR 72 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2doa h TYR 72 Cb 0.08 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 2doa h TYR 72 CO 0.00 0.06 0.04 0.87 -1.05 0.00 0.00 178.16 178.08 2doa h LYS 73 N 0.11 0.19 0.00 4.88 1.79 -1.53 -0.83 116.57 121.17 2doa h LYS 73 Ca 0.21 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.61 2doa h LYS 73 Cb 0.67 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2doa h LYS 73 CO -0.02 0.17 -0.21 -0.44 -1.08 0.00 0.00 179.45 177.87 2doa h ASP 74 N 0.19 0.00 -3.57 0.86 5.19 -1.11 -3.45 116.42 114.53 2doa h ASP 74 Ca 0.05 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.89 2doa h ASP 74 Cb 0.06 0.00 0.14 0.00 0.18 0.00 0.00 39.33 39.71 2doa h ASP 74 CO -0.00 0.21 0.35 0.52 -3.12 0.00 0.00 179.24 177.20 2doa n VAL 75 N -3.50 3.14 -3.71 -1.35 0.31 -0.32 -5.01 118.33 107.89 2doa n VAL 75 Ca -0.01 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.62 2doa n VAL 75 Cb 0.37 -1.40 -0.02 0.00 -0.91 0.00 0.00 33.84 31.89 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 -2.48 3.13 -0.39 5.55 -0.21 -1.26 -5.03 119.66 118.98 2doa s GLN 76 Ca 0.68 -0.99 0.06 0.00 0.02 0.00 0.00 55.36 55.13 2doa s GLN 76 Cb -0.47 -2.77 0.52 0.00 1.00 0.00 0.00 33.01 31.29 2doa s GLN 76 CO 0.53 0.20 1.60 1.63 -2.12 0.00 0.00 175.29 177.12 2doa n LYS 77 N -1.50 2.34 -1.84 2.91 5.02 -1.26 -4.47 118.16 119.37 2doa n LYS 77 Ca -0.03 -3.35 -0.04 0.00 -2.02 0.00 0.00 58.31 52.87 2doa n LYS 77 Cb 0.58 -2.04 0.04 0.00 -0.02 0.00 0.00 35.03 33.59 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2doa n ASP 78 N -1.03 -1.14 -4.66 4.39 -0.08 -1.26 -5.12 116.55 107.65 2doa n ASP 78 Ca 0.45 -1.98 -0.43 0.00 -1.51 0.00 0.00 54.79 51.33 2doa n ASP 78 Cb 1.07 0.47 -0.02 0.00 2.34 0.00 0.00 41.12 44.97 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 0.07 2.34 0.58 -0.67 -0.11 -1.26 -4.88 118.94 115.01 2doa s TRP 79 Ca 0.05 0.55 0.29 0.00 1.22 0.00 0.00 56.10 58.20 2doa s TRP 79 Cb 0.23 -3.75 1.46 0.00 -1.50 0.00 0.00 33.47 29.91 2doa s TRP 79 CO -0.07 -2.92 1.88 -1.35 -4.62 0.00 0.00 176.95 169.88 2doa h PRO 80 N 9.03 0.00 -0.47 5.86 0.11 -1.94 -1.53 132.00 143.06 2doa h PRO 80 Ca -0.34 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.81 2doa h PRO 80 Cb 1.15 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2doa h PRO 80 CO 0.96 0.00 0.23 0.78 -0.21 0.00 0.00 178.00 179.77 2doa h GLY 81 N 0.00 0.65 -0.80 -0.55 0.00 -1.89 -3.43 103.07 97.05 2doa h GLY 81 Ca 0.24 -0.16 -0.35 0.00 0.00 0.00 0.00 47.33 47.06 2doa h GLY 81 CO -0.00 0.10 0.09 -1.72 0.00 0.00 0.00 176.54 175.01 2doa n TYR 82 N -4.90 -3.78 0.00 5.60 4.01 -0.58 -5.01 117.16 112.50 2doa n TYR 82 Ca 0.04 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.91 2doa n TYR 82 Cb 0.13 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 2doa n TYR 82 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2doa n SER 83 N -4.72 0.00 0.10 7.72 2.88 -1.26 -4.99 113.62 113.35 2doa n SER 83 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2doa n SER 83 Cb 0.52 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.43 2doa n SER 83 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2doa n GLU 84 N -2.43 0.00 -0.06 -1.46 2.13 -1.26 -4.86 120.64 112.70 2doa n GLU 84 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 2doa n GLU 84 Cb 0.00 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.09 2doa n GLU 84 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2doa h GLY 85 N 0.00 0.71 1.70 8.31 0.00 -2.00 -1.16 103.07 110.63 2doa h GLY 85 Ca 0.00 -0.26 -0.24 0.00 0.00 0.00 0.00 47.33 46.83 2doa h GLY 85 CO 0.00 0.25 -1.21 -0.55 0.00 0.00 0.00 176.54 175.03 2doa h ASP 86 N 0.67 0.12 0.00 0.19 5.19 -1.96 -3.07 116.42 117.55 2doa h ASP 86 Ca 0.20 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2doa h ASP 86 Cb -0.02 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.45 2doa h ASP 86 CO -0.05 1.11 -0.00 1.56 -3.12 0.00 0.00 179.24 178.74 2doa h GLN 87 N 0.02 -0.00 -0.67 3.56 4.20 -1.74 -0.73 115.11 119.75 2doa h GLN 87 Ca -0.10 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 2doa h GLN 87 Cb 1.87 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.62 2doa h GLN 87 CO 0.14 0.28 0.27 1.96 -0.67 0.00 0.00 178.83 180.81 2doa h GLN 88 N -0.29 0.98 0.11 1.46 1.08 -1.36 -2.60 115.11 114.48 2doa h GLN 88 Ca -0.00 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.04 2doa h GLN 88 Cb 0.29 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2doa h GLN 88 CO 0.00 0.79 -0.05 1.25 -0.95 0.00 0.00 178.83 179.88 2doa h LEU 89 N 0.96 -0.12 -2.01 1.46 5.85 -1.44 -2.80 115.31 117.20 2doa h LEU 89 Ca 0.23 -0.22 0.15 0.00 0.84 0.00 0.00 57.88 58.87 2doa h LEU 89 Cb 0.18 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2doa h LEU 89 CO -0.02 0.16 0.38 0.25 -0.34 0.00 0.00 178.44 178.88 2doa h LEU 90 N -0.41 0.00 0.42 2.25 5.85 -0.99 -0.29 115.31 122.14 2doa h LEU 90 Ca -0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2doa h LEU 90 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2doa h LEU 90 CO 0.02 0.00 -0.20 0.11 -0.34 0.00 0.00 178.44 178.03 2doa h LYS 91 N 0.00 -0.55 -0.36 1.25 1.57 -1.20 -2.20 116.57 115.08 2doa h LYS 91 Ca 0.24 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.98 2doa h LYS 91 Cb 1.01 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2doa h LYS 91 CO -0.00 -0.26 -0.11 0.07 -0.57 0.00 0.00 179.45 178.58 2doa h ARG 92 N -0.81 0.63 0.00 3.15 0.11 -1.29 -2.27 114.38 113.91 2doa h ARG 92 Ca -0.06 -0.19 -0.02 0.00 0.10 0.00 0.00 59.98 59.81 2doa h ARG 92 Cb 0.54 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.56 2doa h ARG 92 CO 0.10 0.72 -0.11 0.28 0.10 0.00 0.00 179.97 181.06 2doa h VAL 93 N 0.57 1.02 0.23 0.08 2.07 -1.04 -1.69 116.25 117.49 2doa h VAL 93 Ca 0.10 -0.37 -0.34 0.00 0.82 0.00 0.00 66.70 66.91 2doa h VAL 93 Cb 0.53 1.20 0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2doa h VAL 93 CO 0.03 0.10 -1.58 -0.07 0.02 0.00 0.00 177.57 176.08 2doa h LEU 94 N 0.00 0.77 -0.47 2.57 3.38 -0.94 -3.03 115.31 117.58 2doa h LEU 94 Ca -0.00 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 2doa h LEU 94 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2doa h LEU 94 CO 0.01 1.73 0.25 0.58 0.09 0.00 0.00 178.44 181.11 2doa h VAL 95 N 0.13 1.17 -0.27 1.22 2.07 -1.06 0.74 116.25 120.26 2doa h VAL 95 Ca -0.29 -0.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 2doa h VAL 95 Cb 2.15 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 2doa h VAL 95 CO 0.24 0.19 -0.20 -0.09 0.02 0.00 0.00 177.57 177.72 2doa h ARG 96 N 0.62 0.50 0.00 1.57 9.65 -1.45 -3.34 114.38 121.93 2doa h ARG 96 Ca 0.16 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2doa h ARG 96 Cb 0.07 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 2doa h ARG 96 CO -0.02 0.68 -0.01 0.87 2.80 0.00 0.00 179.97 184.28 2doa h LYS 97 N 0.45 0.00 -5.06 0.20 1.79 -1.34 -3.40 116.57 109.21 2doa h LYS 97 Ca 0.07 0.00 -0.41 0.00 -2.18 0.00 0.00 60.65 58.14 2doa h LYS 97 Cb 0.61 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.28 2doa h LYS 97 CO 0.04 0.00 1.30 1.28 -1.08 0.00 0.00 179.45 180.99 2doa n LEU 98 N -2.85 2.83 -1.41 2.94 4.77 0.26 -4.16 117.00 119.38 2doa n LEU 98 Ca -0.00 -2.78 -0.02 0.00 -0.03 0.00 0.00 56.01 53.18 2doa n LEU 98 Cb 0.00 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 39.68 2doa n LEU 98 CO 0.00 -1.72 0.24 -0.24 -1.33 0.00 0.00 177.39 174.34 2doa n SER 99 N 12.63 -0.13 0.00 -1.43 2.88 -1.26 -4.74 113.62 121.56 2doa n SER 99 Ca 0.46 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 2doa n SER 99 Cb 0.44 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2doa n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 100 N 0.05 -1.92 0.21 0.46 0.00 -1.26 -5.03 105.19 97.70 2doa n GLY 100 Ca -0.12 0.89 0.07 0.00 0.00 0.00 0.00 46.02 46.86 2doa n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doa h PRO 101 N 0.00 0.00 -7.08 1.61 0.13 -1.95 -3.45 132.00 121.27 2doa h PRO 101 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 2doa h PRO 101 Cb 0.00 0.00 0.21 0.00 0.13 0.00 0.00 31.00 31.34 2doa h PRO 101 CO 0.00 0.29 -0.09 0.45 -0.23 0.00 0.00 178.00 178.42 2doa s SER 102 N -6.46 -0.87 -0.21 1.44 0.15 -1.26 -5.02 113.70 101.47 2doa s SER 102 Ca -0.01 0.82 -0.16 0.00 0.70 0.00 0.00 55.95 57.29 2doa s SER 102 Cb 0.12 -1.15 -0.09 0.00 -1.71 0.00 0.00 66.02 63.19 2doa s SER 102 CO 0.66 -5.24 -0.26 -0.24 1.20 0.00 0.00 173.24 169.37 2doa n SER 103 N -5.54 1.92 0.00 5.45 2.88 -1.26 -5.19 113.62 111.87 2doa n SER 103 Ca 0.13 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2doa n SER 103 Cb 0.60 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42