#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 -5.98 -0.02 1.61 7.64 -1.26 -4.88 113.62 110.73 2doa n SER 2 Ca 0.00 -0.09 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 2doa n SER 2 Cb 0.00 -4.93 -0.14 0.00 -1.01 0.00 0.00 64.21 58.12 2doa n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2doa n SER 3 N -2.13 1.00 -3.37 6.43 7.64 -1.26 -4.48 113.62 117.45 2doa n SER 3 Ca -0.21 0.40 -0.34 0.00 1.01 0.00 0.00 58.87 59.72 2doa n SER 3 Cb 0.67 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 1.60 3.64 0.15 0.23 0.00 -1.26 -4.62 105.19 104.94 2doa n GLY 4 Ca -0.18 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.45 2doa n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2doa h SER 5 N 6.03 -0.25 -2.29 1.61 0.02 -1.97 -3.30 113.55 113.39 2doa h SER 5 Ca 0.63 -0.15 -0.68 0.00 -0.84 0.00 0.00 61.79 60.75 2doa h SER 5 Cb 0.35 0.06 -0.36 0.00 0.14 0.00 0.00 62.40 62.60 2doa h SER 5 CO 1.71 0.01 0.05 -1.54 -1.14 0.00 0.00 176.83 175.92 2doa n SER 6 N -5.12 5.63 -1.95 3.07 3.41 -1.26 -4.80 113.62 112.60 2doa n SER 6 Ca -0.09 -3.67 -0.15 0.00 -0.26 0.00 0.00 58.87 54.69 2doa n SER 6 Cb 0.21 -0.82 0.18 0.00 -0.26 0.00 0.00 64.21 63.52 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 -0.08 3.82 0.10 5.00 0.00 -1.25 -4.16 105.19 108.62 2doa n GLY 7 Ca 0.37 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.62 1.43 -0.01 1.61 0.31 -1.26 -4.14 118.33 115.66 2doa n VAL 8 Ca 0.45 -0.83 -0.17 0.00 -0.01 0.00 0.00 64.34 63.77 2doa n VAL 8 Cb 1.39 -0.61 -0.09 0.00 -0.91 0.00 0.00 33.84 33.62 2doa n VAL 8 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2doa h SER 9 N 0.00 0.74 -0.35 4.52 0.87 -1.90 -3.19 113.55 114.24 2doa h SER 9 Ca -0.51 -0.68 0.02 0.00 -1.23 0.00 0.00 61.79 59.39 2doa h SER 9 Cb 2.19 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 63.91 2doa h SER 9 CO 0.03 1.31 0.24 1.56 -0.53 0.00 0.00 176.83 179.44 2doa h GLN 10 N 0.24 0.40 -7.20 2.24 7.50 -1.80 -3.43 115.11 113.05 2doa h GLN 10 Ca -0.06 -0.02 -0.51 0.00 0.50 0.00 0.00 58.65 58.56 2doa h GLN 10 Cb 1.35 -0.09 0.10 0.00 0.05 0.00 0.00 27.48 28.88 2doa h GLN 10 CO 0.14 0.26 0.38 1.03 -1.50 0.00 0.00 178.83 179.14 2doa s ARG 11 N -5.38 2.88 0.77 1.46 1.81 -1.21 -4.99 118.95 114.28 2doa s ARG 11 Ca -0.07 1.37 -0.14 0.00 -1.72 0.00 0.00 55.73 55.16 2doa s ARG 11 Cb 0.18 -1.96 0.06 0.00 -0.45 0.00 0.00 34.95 32.78 2doa s ARG 11 CO 0.72 -1.19 1.23 -1.25 -0.68 0.00 0.00 175.30 174.14 2doa s PRO 12 N -4.09 1.84 0.24 3.54 0.04 -1.26 -4.86 135.00 130.44 2doa s PRO 12 Ca 0.66 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.53 2doa s PRO 12 Cb -0.20 -1.79 0.28 0.00 0.04 0.00 0.00 34.50 32.83 2doa s PRO 12 CO 0.41 -2.09 1.68 0.35 0.04 0.00 0.00 177.00 177.39 2doa h PHE 13 N -0.56 0.78 -0.39 0.56 3.57 -1.93 -2.28 116.94 116.68 2doa h PHE 13 Ca -0.47 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 60.89 2doa h PHE 13 Cb 1.31 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2doa h PHE 13 CO 0.45 0.83 0.26 -0.09 -2.23 0.00 0.00 178.31 177.54 2doa h ARG 14 N 0.62 0.44 0.05 1.11 2.43 -2.00 -1.68 114.38 115.34 2doa h ARG 14 Ca 0.09 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 2doa h ARG 14 Cb 0.66 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2doa h ARG 14 CO 0.05 0.29 -1.17 -0.44 -1.51 0.00 0.00 179.97 177.19 2doa h ASP 15 N 0.45 0.15 0.05 -3.80 5.19 -1.86 -1.70 116.42 114.90 2doa h ASP 15 Ca 0.15 -0.18 -0.05 0.00 -0.62 0.00 0.00 57.03 56.34 2doa h ASP 15 Cb 0.06 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2doa h ASP 15 CO -0.04 1.14 -0.15 0.03 -3.12 0.00 0.00 179.24 177.10 2doa h ARG 16 N 0.03 0.22 0.10 3.56 3.08 -0.76 -1.63 114.38 118.98 2doa h ARG 16 Ca -0.09 -0.05 -0.36 0.00 0.07 0.00 0.00 59.98 59.55 2doa h ARG 16 Cb 1.87 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.86 2doa h ARG 16 CO 0.15 0.38 -1.99 0.28 -1.07 0.00 0.00 179.97 177.72 2doa n VAL 17 N -4.26 1.75 0.29 2.04 0.31 -0.84 -3.60 118.33 114.01 2doa n VAL 17 Ca -0.01 -0.67 -0.16 0.00 -0.01 0.00 0.00 64.34 63.48 2doa n VAL 17 Cb 0.28 -1.62 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 2doa n VAL 17 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2doa h LEU 18 N 0.06 -0.65 -1.76 7.52 5.85 -1.22 -0.12 115.31 124.99 2doa h LEU 18 Ca -0.42 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.35 2doa h LEU 18 Cb 2.03 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 43.22 2doa h LEU 18 CO 0.08 -0.44 0.18 0.45 -0.34 0.00 0.00 178.44 178.37 2doa h HIS 19 N -0.71 0.30 0.45 1.25 3.86 -1.50 0.20 115.15 118.99 2doa h HIS 19 Ca -0.06 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2doa h HIS 19 Cb 0.56 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2doa h HIS 19 CO -0.06 0.18 -0.22 -0.07 0.86 0.00 0.00 177.93 178.63 2doa h LEU 20 N 0.32 -0.51 -1.54 2.43 3.38 -1.52 -3.03 115.31 114.85 2doa h LEU 20 Ca 0.11 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 20 Cb 0.04 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2doa h LEU 20 CO -0.02 -0.11 -0.19 -0.07 0.09 0.00 0.00 178.44 178.13 2doa h LEU 21 N -1.00 0.05 -1.45 1.67 3.38 -0.83 -2.44 115.31 114.68 2doa h LEU 21 Ca -0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 21 Cb 0.57 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 2doa h LEU 21 CO 0.10 0.25 0.41 0.00 0.09 0.00 0.00 178.44 179.29 2doa h ALA 22 N 1.76 1.69 0.21 1.53 0.00 -0.60 -3.00 119.26 120.85 2doa h ALA 22 Ca 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2doa h ALA 22 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2doa h ALA 22 CO 0.03 0.24 -0.10 -0.07 0.00 0.00 0.00 179.25 179.34 2doa h LEU 23 N 0.71 -0.24 -7.16 0.00 3.38 -1.31 -3.48 115.31 107.20 2doa h LEU 23 Ca 0.25 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2doa h LEU 23 Cb 0.11 0.06 -0.12 0.00 0.09 0.00 0.00 40.66 40.80 2doa h LEU 23 CO -0.07 0.29 0.13 0.00 0.09 0.00 0.00 178.44 178.87 2doa s ARG 24 N -3.26 1.24 0.39 1.13 1.70 -1.13 -5.02 118.95 114.00 2doa s ARG 24 Ca -0.11 -0.56 -0.25 0.00 -0.47 0.00 0.00 55.73 54.34 2doa s ARG 24 Cb 0.00 0.55 -0.11 0.00 -0.57 0.00 0.00 34.95 34.83 2doa s ARG 24 CO 0.39 -0.53 1.02 -2.30 -1.08 0.00 0.00 175.30 172.80 2doa n PRO 25 N -0.34 1.39 -3.63 3.89 -0.02 -1.26 -4.22 135.00 130.81 2doa n PRO 25 Ca -0.16 0.50 -0.20 0.00 -2.02 0.00 0.00 63.50 61.61 2doa n PRO 25 Cb 0.64 -2.01 -0.16 0.00 -0.02 0.00 0.00 33.50 31.95 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 -1.23 -0.04 0.90 6.00 2.02 -0.10 -4.89 117.35 120.01 2doa s TYR 26 Ca 0.62 0.25 -0.12 0.00 -0.37 0.00 0.00 57.07 57.45 2doa s TYR 26 Cb -0.59 -0.44 0.13 0.00 -0.40 0.00 0.00 41.96 40.67 2doa s TYR 26 CO 0.58 -0.35 1.09 1.03 -1.57 0.00 0.00 175.55 176.34 2doa s ARG 27 N 2.23 1.22 0.17 -0.62 0.52 -1.26 -1.58 118.95 119.63 2doa s ARG 27 Ca 0.04 0.79 -0.13 0.00 -0.52 0.00 0.00 55.73 55.91 2doa s ARG 27 Cb -0.13 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.59 2doa s ARG 27 CO -0.07 -2.26 1.75 0.87 0.02 0.00 0.00 175.30 175.62 2doa h LYS 28 N -1.56 0.80 -0.08 3.54 1.57 -1.95 0.63 116.57 119.52 2doa h LYS 28 Ca -0.50 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.02 2doa h LYS 28 Cb 1.29 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2doa h LYS 28 CO 0.55 0.65 -0.60 0.00 -0.57 0.00 0.00 179.45 179.49 2doa h ALA 29 N 1.10 0.83 0.02 3.86 0.00 -1.92 -0.37 119.26 122.78 2doa h ALA 29 Ca 0.19 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 2doa h ALA 29 Cb 0.12 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2doa h ALA 29 CO -0.02 0.72 -0.62 1.49 0.00 0.00 0.00 179.25 180.82 2doa h GLU 30 N 0.21 0.38 -0.09 0.00 4.22 -1.84 -3.04 114.58 114.41 2doa h GLU 30 Ca -0.00 -0.44 -0.12 0.00 0.08 0.00 0.00 59.36 58.87 2doa h GLU 30 Cb 1.10 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2doa h GLU 30 CO 0.09 1.12 -0.49 1.25 -2.18 0.00 0.00 179.01 178.81 2doa h LEU 31 N -0.16 0.26 -0.00 1.64 5.85 0.24 -2.01 115.31 121.13 2doa h LEU 31 Ca -0.08 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2doa h LEU 31 Cb 1.35 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 2doa h LEU 31 CO 0.12 0.71 0.00 -0.07 -0.34 0.00 0.00 178.44 178.86 2doa h LEU 32 N 0.19 0.00 -0.67 2.25 3.38 -1.13 -0.60 115.31 118.74 2doa h LEU 32 Ca 0.01 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2doa h LEU 32 Cb 0.93 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2doa h LEU 32 CO 0.08 0.12 -0.23 -0.07 0.09 0.00 0.00 178.44 178.42 2doa h LEU 33 N -0.11 0.80 -0.15 1.67 3.38 -1.52 -1.19 115.31 118.19 2doa h LEU 33 Ca 0.00 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2doa h LEU 33 Cb 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2doa h LEU 33 CO -0.00 1.01 0.09 -0.09 0.09 0.00 0.00 178.44 179.53 2doa h ARG 34 N 0.69 0.21 -0.20 1.13 1.12 -1.21 -2.40 114.38 113.71 2doa h ARG 34 Ca 0.09 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.83 2doa h ARG 34 Cb 0.75 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 2doa h ARG 34 CO 0.06 0.21 -0.36 -0.07 -3.11 0.00 0.00 179.97 176.70 2doa h LEU 35 N 0.15 0.44 -1.81 3.80 3.38 -1.06 -2.80 115.31 117.42 2doa h LEU 35 Ca 0.05 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2doa h LEU 35 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2doa h LEU 35 CO -0.01 0.77 0.06 -0.61 0.09 0.00 0.00 178.44 178.74 2doa h GLN 36 N 0.36 0.19 -0.23 1.13 4.15 -0.92 0.35 115.11 120.14 2doa h GLN 36 Ca 0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 2doa h GLN 36 Cb 0.80 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2doa h GLN 36 CO 0.06 0.15 -0.00 0.87 -1.93 0.00 0.00 178.83 177.98 2doa h LYS 37 N 0.19 0.33 0.06 1.69 1.57 -1.16 -3.08 116.57 116.19 2doa h LYS 37 Ca 0.05 -0.06 -0.36 0.00 -1.87 0.00 0.00 60.65 58.41 2doa h LYS 37 Cb 0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.24 2doa h LYS 37 CO -0.01 0.37 -2.13 -0.25 -0.57 0.00 0.00 179.45 176.86 2doa n ASP 38 N -4.35 1.73 0.00 0.86 8.00 -0.55 -5.01 116.55 117.24 2doa n ASP 38 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2doa n ASP 38 Cb 0.20 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 2doa n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2doa n GLY 39 N 1.99 0.35 2.71 0.44 0.00 0.11 -4.87 105.19 105.92 2doa n GLY 39 Ca -0.34 0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 0.85 0.58 0.99 2.96 -1.23 -4.71 118.68 118.11 2doa s LEU 40 Ca 0.00 -0.63 0.09 0.00 -0.22 0.00 0.00 54.13 53.37 2doa s LEU 40 Cb 0.00 -0.47 0.09 0.00 0.50 0.00 0.00 46.19 46.31 2doa s LEU 40 CO 0.00 -0.30 0.76 0.42 -1.32 0.00 0.00 176.35 175.91 2doa s THR 41 N 1.96 2.04 0.49 3.68 -4.23 -1.26 -4.85 115.64 113.46 2doa s THR 41 Ca 0.01 -1.06 0.14 0.00 -1.18 0.00 0.00 61.69 59.60 2doa s THR 41 Cb -0.16 -2.09 0.26 0.00 1.34 0.00 0.00 72.50 71.85 2doa s THR 41 CO -0.08 0.00 2.12 -0.61 -0.54 0.00 0.00 174.62 175.51 2doa h GLN 42 N 0.22 0.13 -0.01 3.99 -0.00 -2.01 0.42 115.11 117.85 2doa h GLN 42 Ca -0.30 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.34 2doa h GLN 42 Cb 1.29 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.74 2doa h GLN 42 CO 0.42 0.10 -0.02 0.00 0.00 0.00 0.00 178.83 179.33 2doa h ALA 43 N 1.93 0.02 -0.03 3.38 0.00 -2.00 -2.83 119.26 119.72 2doa h ALA 43 Ca 0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2doa h ALA 43 Cb 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2doa h ALA 43 CO -0.01 -0.21 -0.64 -0.44 0.00 0.00 0.00 179.25 177.95 2doa h ASP 44 N -0.46 0.16 -0.88 0.00 3.32 -1.85 -2.41 116.42 114.29 2doa h ASP 44 Ca 0.00 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.96 2doa h ASP 44 Cb 0.53 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2doa h ASP 44 CO 0.00 0.75 0.58 0.11 -1.72 0.00 0.00 179.24 178.96 2doa h LYS 45 N 0.10 1.17 0.04 3.56 1.57 -0.19 0.08 116.57 122.90 2doa h LYS 45 Ca -0.01 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.47 2doa h LYS 45 Cb 1.15 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2doa h LYS 45 CO 0.09 0.78 -1.02 0.22 -0.57 0.00 0.00 179.45 178.95 2doa h ASP 46 N 1.20 0.25 0.39 0.86 1.82 -1.46 -3.24 116.42 116.25 2doa h ASP 46 Ca 0.32 -0.24 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 2doa h ASP 46 Cb -0.12 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 2doa h ASP 46 CO -0.07 1.12 -0.43 0.00 -1.61 0.00 0.00 179.24 178.25 2doa h ALA 47 N 0.85 1.25 -0.73 -0.78 0.00 -0.99 -2.92 119.26 115.93 2doa h ALA 47 Ca -0.07 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2doa h ALA 47 Cb 1.72 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 2doa h ALA 47 CO 0.16 0.55 0.48 1.25 0.00 0.00 0.00 179.25 181.69 2doa h LEU 48 N 0.04 0.84 -0.32 0.00 5.85 -1.01 0.19 115.31 120.90 2doa h LEU 48 Ca 0.00 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2doa h LEU 48 Cb 0.78 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 2doa h LEU 48 CO 0.06 0.61 0.19 -0.78 -0.34 0.00 0.00 178.44 178.18 2doa h ASP 49 N 0.99 0.39 1.02 1.25 1.82 -1.63 0.15 116.42 120.42 2doa h ASP 49 Ca 0.27 -0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 56.70 2doa h ASP 49 Cb -0.11 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 2doa h ASP 49 CO -0.06 0.34 -0.67 1.23 -1.61 0.00 0.00 179.24 178.48 2doa h GLY 50 N 0.41 0.00 1.01 -0.78 0.00 -1.52 -3.08 103.07 99.11 2doa h GLY 50 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.26 2doa h GLY 50 CO -0.02 0.00 -0.66 -2.00 0.00 0.00 0.00 176.54 173.86 2doa h LEU 51 N 0.00 0.76 -0.06 3.11 5.85 -0.37 -3.11 115.31 121.49 2doa h LEU 51 Ca -0.01 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 2doa h LEU 51 Cb 1.36 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 2doa h LEU 51 CO 0.09 1.30 0.04 -0.07 -0.34 0.00 0.00 178.44 179.45 2doa h LEU 52 N 0.28 0.08 -2.27 2.25 3.38 -0.76 0.63 115.31 118.90 2doa h LEU 52 Ca -0.05 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2doa h LEU 52 Cb 1.30 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2doa h LEU 52 CO 0.13 0.12 0.16 1.56 0.09 0.00 0.00 178.44 180.51 2doa h GLN 53 N 0.02 0.00 0.00 1.13 1.08 -1.62 0.84 115.11 116.57 2doa h GLN 53 Ca 0.02 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.16 2doa h GLN 53 Cb 0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2doa h GLN 53 CO -0.00 0.00 -0.81 1.04 -0.95 0.00 0.00 178.83 178.10 2doa n GLN 54 N -3.80 0.49 -1.15 1.46 1.13 -0.82 -4.43 117.38 110.25 2doa n GLN 54 Ca 0.01 0.48 -0.27 0.00 -1.94 0.00 0.00 57.00 55.28 2doa n GLN 54 Cb 0.28 -1.66 0.09 0.00 0.11 0.00 0.00 30.24 29.06 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 -4.54 3.23 -3.61 5.09 0.24 0.22 -4.92 118.33 114.04 2doa n VAL 55 Ca -0.15 -2.28 -0.02 0.00 -2.04 0.00 0.00 64.34 59.84 2doa n VAL 55 Cb 0.41 -1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 31.74 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 -2.17 -0.19 2.33 0.00 0.29 -4.43 121.76 114.50 2doa s ALA 56 Ca 0.53 1.56 -0.01 0.00 0.00 0.00 0.00 51.96 54.04 2doa s ALA 56 Cb 0.42 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.46 2doa s ALA 56 CO 0.02 -0.66 -0.01 -0.80 0.00 0.00 0.00 175.76 174.31 2doa s ASN 57 N -2.27 3.03 0.61 0.00 0.01 0.16 -4.12 114.94 112.37 2doa s ASN 57 Ca 0.11 -0.82 -0.16 0.00 -0.71 0.00 0.00 52.86 51.29 2doa s ASN 57 Cb 0.00 -0.82 -0.03 0.00 0.41 0.00 0.00 41.25 40.82 2doa s ASN 57 CO -0.04 -0.25 1.07 -0.32 -1.51 0.00 0.00 177.10 176.06 2doa s MET 58 N 1.69 3.17 0.58 -0.60 -2.45 -1.26 -0.62 119.30 119.81 2doa s MET 58 Ca -0.01 1.27 0.10 0.00 -1.25 0.00 0.00 55.69 55.79 2doa s MET 58 Cb -0.17 -2.01 0.09 0.00 1.25 0.00 0.00 34.83 33.99 2doa s MET 58 CO -0.07 -0.94 0.80 0.45 1.05 0.00 0.00 175.02 176.30 2doa s SER 59 N -2.70 5.08 -0.02 1.11 0.15 0.12 -4.91 113.70 112.54 2doa s SER 59 Ca 0.65 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.43 2doa s SER 59 Cb -0.18 0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 2doa s SER 59 CO 0.38 -1.36 -0.01 0.00 1.20 0.00 0.00 173.24 173.45 2doa n ALA 60 N -2.25 1.97 -0.14 5.45 0.00 -1.26 -3.95 120.51 120.33 2doa n ALA 60 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 2doa n ALA 60 Cb 0.62 0.47 0.01 0.00 0.00 0.00 0.00 19.45 20.54 2doa n ALA 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2doa h LYS 61 N -0.00 0.54 0.00 0.00 3.64 -1.99 -3.38 116.57 115.38 2doa h LYS 61 Ca -0.03 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 2doa h LYS 61 Cb 1.05 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 2doa h LYS 61 CO -0.01 0.36 -1.33 -0.25 -2.27 0.00 0.00 179.45 175.96 2doa n ASP 62 N -4.81 0.80 0.00 4.20 8.00 -1.26 -5.07 116.55 118.41 2doa n ASP 62 Ca 0.01 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.65 2doa n ASP 62 Cb 0.04 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 2.47 1.98 3.92 0.44 0.00 -1.25 -5.02 105.19 107.71 2doa n GLY 63 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 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 5.10 -0.27 2.61 2.01 -1.26 -4.30 115.64 117.53 2doa s THR 64 Ca 0.00 -0.16 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 2doa s THR 64 Cb 0.00 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2doa s THR 64 CO 0.00 -0.30 0.15 0.00 -0.69 0.00 0.00 174.62 173.79 2doa s THR 66 N 1.66 3.81 0.63 0.00 -4.23 0.21 -0.93 115.64 116.79 2doa s THR 66 Ca 0.07 -0.40 -0.18 0.00 -1.18 0.00 0.00 61.69 60.00 2doa s THR 66 Cb -0.16 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.02 2doa s THR 66 CO 0.08 0.51 1.27 -0.22 -0.54 0.00 0.00 174.62 175.73 2doa s LEU 67 N 0.16 3.60 0.81 4.79 2.96 -1.26 0.40 118.68 130.13 2doa s LEU 67 Ca -0.02 2.56 -0.12 0.00 -0.22 0.00 0.00 54.13 56.34 2doa s LEU 67 Cb -0.14 -4.61 0.08 0.00 0.50 0.00 0.00 46.19 42.01 2doa s LEU 67 CO 0.03 -1.90 1.12 -1.10 -1.32 0.00 0.00 176.35 173.18 2doa s GLN 68 N -3.37 2.01 0.15 1.98 -0.21 -1.26 -4.79 119.66 114.17 2doa s GLN 68 Ca 0.81 0.43 0.06 0.00 0.02 0.00 0.00 55.36 56.68 2doa s GLN 68 Cb -0.36 -1.93 -0.07 0.00 1.00 0.00 0.00 33.01 31.66 2doa s GLN 68 CO 0.38 -1.63 1.35 0.38 -2.12 0.00 0.00 175.29 173.65 2doa h ASP 69 N -1.09 0.09 0.95 5.90 2.03 -1.98 -3.23 116.42 119.08 2doa h ASP 69 Ca -0.47 -0.08 -0.22 0.00 -0.73 0.00 0.00 57.03 55.53 2doa h ASP 69 Cb 1.29 -0.03 -0.03 0.00 -0.83 0.00 0.00 39.33 39.73 2doa h ASP 69 CO 0.62 0.96 -1.08 0.00 -1.03 0.00 0.00 179.24 178.70 2doa h MET 71 N 0.00 0.00 -0.40 0.00 2.86 -1.95 -2.65 114.93 112.79 2doa h MET 71 Ca -0.05 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 2doa h MET 71 Cb 1.79 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.43 2doa h MET 71 CO 0.12 0.17 0.29 1.88 1.06 0.00 0.00 176.91 180.43 2doa h TYR 72 N 0.00 0.00 -0.34 -0.22 0.05 -1.59 0.18 116.97 115.05 2doa h TYR 72 Ca -0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2doa h TYR 72 Cb 0.46 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 2doa h TYR 72 CO 0.00 0.00 0.12 0.87 -1.05 0.00 0.00 178.16 178.10 2doa h LYS 73 N 0.00 0.48 0.00 4.88 1.57 -1.68 -1.46 116.57 120.36 2doa h LYS 73 Ca 0.19 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 2doa h LYS 73 Cb 0.77 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2doa h LYS 73 CO -0.00 0.42 -0.21 -0.44 -0.57 0.00 0.00 179.45 178.65 2doa h ASP 74 N 0.48 0.00 -2.49 0.86 3.32 -1.14 -3.44 116.42 114.03 2doa h ASP 74 Ca 0.12 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.61 2doa h ASP 74 Cb 0.12 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.74 2doa h ASP 74 CO -0.01 0.21 0.87 0.52 -1.72 0.00 0.00 179.24 179.11 2doa n VAL 75 N -3.72 0.10 -2.42 -1.35 0.31 -0.55 -4.99 118.33 105.71 2doa n VAL 75 Ca -0.01 -0.03 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 2doa n VAL 75 Cb 0.32 -1.72 0.13 0.00 -0.91 0.00 0.00 33.84 31.65 2doa n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2doa n GLN 76 N 3.48 -0.31 -1.02 5.55 6.02 -1.26 -5.04 117.38 124.81 2doa n GLN 76 Ca 0.16 -2.36 0.01 0.00 -0.01 0.00 0.00 57.00 54.80 2doa n GLN 76 Cb 0.32 -0.76 0.15 0.00 1.02 0.00 0.00 30.24 30.97 2doa n GLN 76 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2doa n LYS 77 N -2.90 1.65 -1.40 -1.09 2.85 -1.26 -4.68 118.16 111.34 2doa n LYS 77 Ca 0.15 -3.25 -0.05 0.00 -1.05 0.00 0.00 58.31 54.12 2doa n LYS 77 Cb 0.54 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.42 2doa n LYS 77 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2doa n ASP 78 N -0.80 -0.80 -4.66 -5.58 2.03 -1.26 -5.11 116.55 100.37 2doa n ASP 78 Ca 0.20 -2.04 -0.42 0.00 0.52 0.00 0.00 54.79 53.05 2doa n ASP 78 Cb 0.80 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 41.46 2doa n ASP 78 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 2doa s TRP 79 N -0.08 1.91 0.59 -0.67 -0.11 -1.26 -4.86 118.94 114.45 2doa s TRP 79 Ca 0.06 0.16 0.29 0.00 1.22 0.00 0.00 56.10 57.83 2doa s TRP 79 Cb 0.13 -3.95 1.48 0.00 -1.50 0.00 0.00 33.47 29.64 2doa s TRP 79 CO -0.04 -3.95 1.90 -1.35 -4.62 0.00 0.00 176.95 168.89 2doa h PRO 80 N 9.77 0.00 0.11 5.86 0.11 -1.96 -2.09 132.00 143.81 2doa h PRO 80 Ca -0.40 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 2doa h PRO 80 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2doa h PRO 80 CO 0.96 0.00 -0.13 0.78 -0.21 0.00 0.00 178.00 179.39 2doa h GLY 81 N 0.00 -0.26 -0.50 -0.55 0.00 -1.89 -3.44 103.07 96.43 2doa h GLY 81 Ca 0.21 0.15 -0.22 0.00 0.00 0.00 0.00 47.33 47.47 2doa h GLY 81 CO -0.00 -0.13 0.05 -1.72 0.00 0.00 0.00 176.54 174.73 2doa n TYR 82 N -5.25 -3.45 0.19 5.60 4.01 -0.79 -5.03 117.16 112.44 2doa n TYR 82 Ca -0.07 -0.55 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 2doa n TYR 82 Cb 0.17 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.56 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 -4.10 -2.97 0.13 7.72 2.88 -1.26 -4.99 113.62 111.03 2doa n SER 83 Ca 0.08 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2doa n SER 83 Cb 0.33 2.85 0.00 0.00 -0.75 0.00 0.00 64.21 66.64 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doa n GLU 84 N -3.31 0.00 0.11 -1.46 1.02 -1.26 -4.83 120.64 110.91 2doa n GLU 84 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2doa n GLU 84 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 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 -0.27 1.54 0.62 0.00 -2.00 -2.39 103.07 100.58 2doa h GLY 85 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2doa h GLY 85 CO 0.00 -0.10 0.31 -0.55 0.00 0.00 0.00 176.54 176.20 2doa h ASP 86 N -0.52 0.53 0.18 0.19 3.32 -1.96 -1.78 116.42 116.37 2doa h ASP 86 Ca -0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2doa h ASP 86 Cb 0.39 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2doa h ASP 86 CO 0.04 0.38 -0.08 1.56 -1.72 0.00 0.00 179.24 179.42 2doa h GLN 87 N 0.62 -0.23 -0.06 3.56 4.20 -1.85 -1.10 115.11 120.25 2doa h GLN 87 Ca 0.17 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2doa h GLN 87 Cb -0.07 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2doa h GLN 87 CO -0.04 -0.06 -0.10 1.96 -0.67 0.00 0.00 178.83 179.92 2doa h GLN 88 N -0.35 0.09 -0.11 1.46 1.08 -1.10 -2.74 115.11 113.43 2doa h GLN 88 Ca -0.02 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 2doa h GLN 88 Cb 0.27 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 2doa h GLN 88 CO 0.04 0.19 -0.07 1.25 -0.95 0.00 0.00 178.83 179.30 2doa h LEU 89 N 0.08 0.25 -2.07 1.46 5.85 -1.01 -2.98 115.31 116.90 2doa h LEU 89 Ca 0.02 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.38 2doa h LEU 89 Cb 0.23 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2doa h LEU 89 CO 0.01 0.63 0.19 0.25 -0.34 0.00 0.00 178.44 179.18 2doa h LEU 90 N -0.12 0.00 0.61 2.25 5.85 -0.91 -1.68 115.31 121.30 2doa h LEU 90 Ca 0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2doa h LEU 90 Cb 0.54 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.57 2doa h LEU 90 CO 0.02 0.00 -0.29 0.11 -0.34 0.00 0.00 178.44 177.94 2doa h LYS 91 N 0.00 -0.78 -0.63 1.25 1.57 -1.36 -1.97 116.57 114.65 2doa h LYS 91 Ca 0.11 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2doa h LYS 91 Cb 0.49 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2doa h LYS 91 CO -0.00 -0.47 0.42 0.07 -0.57 0.00 0.00 179.45 178.89 2doa h ARG 92 N -1.07 0.81 -0.58 3.15 0.11 -1.43 -2.23 114.38 113.14 2doa h ARG 92 Ca -0.08 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 59.93 2doa h ARG 92 Cb 0.68 -0.18 -0.03 0.00 1.11 0.00 0.00 29.97 31.55 2doa h ARG 92 CO 0.14 0.54 0.30 0.28 0.10 0.00 0.00 179.97 181.33 2doa h VAL 93 N 0.84 1.20 -0.11 0.08 2.07 -1.27 -2.34 116.25 116.71 2doa h VAL 93 Ca 0.23 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 2doa h VAL 93 Cb -0.08 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2doa h VAL 93 CO -0.05 0.22 -0.29 -0.07 0.02 0.00 0.00 177.57 177.40 2doa h LEU 94 N 0.79 0.20 -1.22 2.57 3.38 -0.80 -2.51 115.31 117.72 2doa h LEU 94 Ca 0.20 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2doa h LEU 94 Cb 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2doa h LEU 94 CO -0.03 0.49 -0.36 0.58 0.09 0.00 0.00 178.44 179.21 2doa h VAL 95 N 0.18 1.09 0.00 1.22 2.07 -0.92 0.84 116.25 120.73 2doa h VAL 95 Ca 0.03 -1.33 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 2doa h VAL 95 Cb 0.61 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2doa h VAL 95 CO 0.04 0.36 -0.73 -0.09 0.02 0.00 0.00 177.57 177.17 2doa h ARG 96 N 0.00 0.00 0.00 1.57 9.65 -1.01 -2.85 114.38 121.75 2doa h ARG 96 Ca -0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 2doa h ARG 96 Cb 0.72 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.25 2doa h ARG 96 CO 0.05 0.73 -1.91 1.63 2.80 0.00 0.00 179.97 183.27 2doa n LYS 97 N -3.40 0.57 0.21 0.20 4.76 -1.05 -4.60 118.16 114.85 2doa n LYS 97 Ca 0.00 0.35 -0.15 0.00 -2.87 0.00 0.00 58.31 55.64 2doa n LYS 97 Cb 0.78 -1.56 -0.07 0.00 -1.84 0.00 0.00 35.03 32.34 2doa n LYS 97 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2doa h LEU 98 N -1.00 -0.74 -8.63 -0.35 3.38 0.54 -3.09 115.31 105.42 2doa h LEU 98 Ca -0.49 0.06 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 2doa h LEU 98 Cb 1.39 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 42.27 2doa h LEU 98 CO -0.29 -0.42 0.48 -0.44 0.09 0.00 0.00 178.44 177.86 2doa s SER 99 N -4.66 6.44 0.00 -0.43 0.01 -1.07 -4.08 113.70 109.91 2doa s SER 99 Ca -0.16 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2doa s SER 99 Cb 0.06 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2doa s SER 99 CO 0.64 -1.01 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2doa n GLY 100 N 4.98 0.53 0.15 3.44 0.00 -1.26 -4.59 105.19 108.44 2doa n GLY 100 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 0.43 -6.71 1.61 0.13 -1.68 -3.46 132.00 122.32 2doa h PRO 101 Ca 0.00 -0.33 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 2doa h PRO 101 Cb 0.94 0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.17 2doa h PRO 101 CO 0.00 0.96 -0.07 -1.12 -0.23 0.00 0.00 178.00 177.54 2doa s SER 102 N -6.48 4.98 -0.29 1.44 0.01 -1.26 -5.08 113.70 107.01 2doa s SER 102 Ca -0.13 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 56.33 2doa s SER 102 Cb 0.05 0.31 0.08 0.00 0.21 0.00 0.00 66.02 66.67 2doa s SER 102 CO 0.80 -1.44 0.01 -0.94 0.41 0.00 0.00 173.24 172.07 2doa s SER 103 N -4.69 4.25 0.00 2.44 1.04 -1.26 -5.19 113.70 110.28 2doa s SER 103 Ca 0.63 -1.62 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2doa s SER 103 Cb -0.05 -1.30 0.00 0.00 0.10 0.00 0.00 66.02 64.77 2doa s SER 103 CO 0.40 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.91