#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 0.07 0.08 1.61 0.01 -1.26 -5.09 113.70 109.12 2doa s SER 2 Ca 0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2doa s SER 2 Cb 0.00 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2doa s SER 2 CO 0.00 -0.70 0.00 -1.20 0.41 0.00 0.00 173.24 171.75 2doa n SER 3 N 0.11 0.82 0.00 2.44 7.64 -1.26 -5.14 113.62 118.23 2doa n SER 3 Ca -0.16 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2doa n SER 3 Cb 0.62 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 3.33 -1.27 0.07 0.23 0.00 -1.26 -4.94 105.19 101.35 2doa n GLY 4 Ca 0.00 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 2doa n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2doa n SER 5 N 0.00 1.51 -2.89 1.61 7.64 -1.26 -5.06 113.62 115.17 2doa n SER 5 Ca 0.00 -0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 2doa n SER 5 Cb 0.00 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2doa n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2doa n SER 6 N -2.53 -7.37 -1.05 6.43 7.64 -1.26 -4.99 113.62 110.49 2doa n SER 6 Ca -0.23 0.07 0.01 0.00 1.01 0.00 0.00 58.87 59.73 2doa n SER 6 Cb 0.96 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 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 -1.38 0.78 0.09 0.23 0.00 -1.26 -4.86 105.19 98.79 2doa n GLY 7 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 0.24 1.23 0.06 1.61 0.31 -1.26 -4.38 118.33 116.14 2doa n VAL 8 Ca -0.00 -0.71 -0.01 0.00 -0.01 0.00 0.00 64.34 63.60 2doa n VAL 8 Cb 0.90 -0.64 0.28 0.00 -0.91 0.00 0.00 33.84 33.47 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 0.36 -0.29 4.52 0.87 -1.91 -2.98 113.55 114.12 2doa h SER 9 Ca -0.48 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 59.96 2doa h SER 9 Cb 2.05 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.90 2doa h SER 9 CO 0.01 0.58 0.15 1.56 -0.53 0.00 0.00 176.83 178.59 2doa h GLN 10 N 0.34 0.41 -7.27 2.24 7.50 -1.92 -3.44 115.11 112.97 2doa h GLN 10 Ca 0.06 -0.06 -0.52 0.00 0.50 0.00 0.00 58.65 58.63 2doa h GLN 10 Cb 0.54 -0.08 0.20 0.00 0.05 0.00 0.00 27.48 28.20 2doa h GLN 10 CO 0.04 0.38 0.22 1.03 -1.50 0.00 0.00 178.83 179.00 2doa s ARG 11 N -5.76 0.99 0.96 1.46 1.81 -1.13 -4.94 118.95 112.33 2doa s ARG 11 Ca -0.13 1.56 -0.13 0.00 -1.72 0.00 0.00 55.73 55.31 2doa s ARG 11 Cb 0.09 -1.72 0.02 0.00 -0.45 0.00 0.00 34.95 32.88 2doa s ARG 11 CO 0.72 -2.66 0.28 -2.30 -0.68 0.00 0.00 175.30 170.66 2doa n PRO 12 N -4.25 -0.28 -0.04 3.54 -0.02 -1.26 -4.87 135.00 127.83 2doa n PRO 12 Ca 0.12 -0.04 -0.16 0.00 -2.02 0.00 0.00 63.50 61.40 2doa n PRO 12 Cb 0.52 -1.77 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.51 0.72 -0.39 6.00 3.57 -1.92 -3.04 116.94 120.37 2doa h PHE 13 Ca -0.44 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 60.76 2doa h PHE 13 Cb 1.28 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2doa h PHE 13 CO 0.37 1.08 0.24 -0.09 -2.23 0.00 0.00 178.31 177.68 2doa h ARG 14 N 0.16 0.53 -0.57 1.11 2.43 -2.00 -2.04 114.38 114.00 2doa h ARG 14 Ca -0.02 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2doa h ARG 14 Cb 1.11 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2doa h ARG 14 CO 0.10 0.37 -0.07 -0.44 -1.51 0.00 0.00 179.97 178.41 2doa h ASP 15 N 0.54 1.04 -0.26 -3.80 5.19 -1.91 0.24 116.42 117.47 2doa h ASP 15 Ca 0.14 -0.33 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2doa h ASP 15 Cb -0.03 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.18 2doa h ASP 15 CO -0.03 1.13 0.15 0.03 -3.12 0.00 0.00 179.24 177.41 2doa h ARG 16 N 0.94 0.35 -0.04 3.56 3.08 -1.26 0.21 114.38 121.22 2doa h ARG 16 Ca 0.15 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.99 2doa h ARG 16 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2doa h ARG 16 CO 0.04 0.27 -0.78 0.28 -1.07 0.00 0.00 179.97 178.72 2doa h VAL 17 N 0.32 1.43 -0.44 2.04 2.07 -1.41 -2.15 116.25 118.11 2doa h VAL 17 Ca 0.09 -2.32 -0.11 0.00 0.82 0.00 0.00 66.70 65.18 2doa h VAL 17 Cb 0.02 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2doa h VAL 17 CO -0.02 0.69 -0.16 0.25 0.02 0.00 0.00 177.57 178.35 2doa h LEU 18 N 0.18 0.90 -0.21 2.57 5.85 -0.27 -1.98 115.31 122.35 2doa h LEU 18 Ca -0.04 -0.38 -0.14 0.00 0.84 0.00 0.00 57.88 58.16 2doa h LEU 18 Cb 1.37 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2doa h LEU 18 CO 0.12 1.08 -0.41 0.45 -0.34 0.00 0.00 178.44 179.35 2doa h HIS 19 N 0.71 0.82 0.66 1.25 3.86 -0.61 -2.32 115.15 119.53 2doa h HIS 19 Ca 0.10 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 58.99 2doa h HIS 19 Cb 0.71 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.03 2doa h HIS 19 CO 0.05 1.06 -0.36 -0.07 0.86 0.00 0.00 177.93 179.47 2doa h LEU 20 N 0.35 -0.89 -2.13 2.43 3.38 -1.37 -2.40 115.31 114.68 2doa h LEU 20 Ca 0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2doa h LEU 20 Cb 1.01 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2doa h LEU 20 CO 0.09 -0.59 0.05 -0.07 0.09 0.00 0.00 178.44 178.02 2doa h LEU 21 N -0.95 0.00 -0.41 1.67 3.38 -1.45 -2.28 115.31 115.28 2doa h LEU 21 Ca -0.09 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2doa h LEU 21 Cb 0.75 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2doa h LEU 21 CO 0.11 0.00 0.20 0.00 0.09 0.00 0.00 178.44 178.85 2doa h ALA 22 N 1.96 0.50 0.46 1.53 0.00 -0.90 -3.21 119.26 119.60 2doa h ALA 22 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2doa h ALA 22 Cb 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2doa h ALA 22 CO -0.00 -0.16 -0.22 -0.07 0.00 0.00 0.00 179.25 178.80 2doa h LEU 23 N 0.41 -0.52 -7.71 0.00 3.38 -1.23 -3.48 115.31 106.16 2doa h LEU 23 Ca 0.17 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 2doa h LEU 23 Cb 0.08 0.13 -0.15 0.00 0.09 0.00 0.00 40.66 40.82 2doa h LEU 23 CO -0.12 -0.33 -0.32 0.00 0.09 0.00 0.00 178.44 177.76 2doa s ARG 24 N -4.06 0.84 0.37 1.13 1.70 -1.18 -4.93 118.95 112.82 2doa s ARG 24 Ca -0.09 -0.81 -0.26 0.00 -0.47 0.00 0.00 55.73 54.10 2doa s ARG 24 Cb 0.01 0.35 -0.12 0.00 -0.57 0.00 0.00 34.95 34.62 2doa s ARG 24 CO 0.27 -0.27 1.05 -2.30 -1.08 0.00 0.00 175.30 172.96 2doa n PRO 25 N 0.12 1.47 -3.66 3.89 -0.02 -1.26 -4.23 135.00 131.31 2doa n PRO 25 Ca -0.16 0.52 -0.23 0.00 -2.02 0.00 0.00 63.50 61.61 2doa n PRO 25 Cb 0.62 -2.02 -0.17 0.00 -0.02 0.00 0.00 33.50 31.90 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 -1.18 0.22 1.02 6.00 2.02 -0.82 -4.90 117.35 119.70 2doa s TYR 26 Ca 0.60 -0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 57.11 2doa s TYR 26 Cb -0.60 -0.62 0.20 0.00 -0.40 0.00 0.00 41.96 40.53 2doa s TYR 26 CO 0.59 -0.36 1.08 1.03 -1.57 0.00 0.00 175.55 176.31 2doa s ARG 27 N 2.12 0.24 0.15 -0.62 0.52 -1.26 -1.99 118.95 118.12 2doa s ARG 27 Ca 0.03 0.75 -0.17 0.00 -0.52 0.00 0.00 55.73 55.83 2doa s ARG 27 Cb -0.14 -1.70 -0.00 0.00 0.52 0.00 0.00 34.95 33.63 2doa s ARG 27 CO -0.06 -2.92 1.81 0.87 0.02 0.00 0.00 175.30 175.02 2doa h LYS 28 N -2.04 0.47 -0.11 3.54 1.57 -1.95 0.59 116.57 118.64 2doa h LYS 28 Ca -0.55 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.02 2doa h LYS 28 Cb 1.32 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.53 2doa h LYS 28 CO 0.54 0.31 -0.63 0.00 -0.57 0.00 0.00 179.45 179.10 2doa h ALA 29 N 1.13 0.23 -0.31 3.86 0.00 -1.92 -1.08 119.26 121.17 2doa h ALA 29 Ca 0.13 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2doa h ALA 29 Cb -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2doa h ALA 29 CO -0.03 0.50 -0.14 1.49 0.00 0.00 0.00 179.25 181.07 2doa h GLU 30 N 0.28 0.55 0.04 0.00 4.81 -1.88 -1.18 114.58 117.19 2doa h GLU 30 Ca -0.05 -0.17 -0.28 0.00 -0.13 0.00 0.00 59.36 58.74 2doa h GLU 30 Cb 1.28 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.63 2doa h GLU 30 CO 0.13 0.68 -1.11 1.25 -0.73 0.00 0.00 179.01 179.23 2doa h LEU 31 N 0.50 0.87 -0.63 1.64 5.85 0.18 -3.06 115.31 120.66 2doa h LEU 31 Ca 0.09 -0.73 -0.08 0.00 0.84 0.00 0.00 57.88 58.00 2doa h LEU 31 Cb 0.54 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2doa h LEU 31 CO 0.03 1.53 0.09 -0.07 -0.34 0.00 0.00 178.44 179.69 2doa h LEU 32 N 0.34 1.01 -1.24 2.25 3.38 -1.05 -1.12 115.31 118.88 2doa h LEU 32 Ca -0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 2doa h LEU 32 Cb 1.77 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 42.23 2doa h LEU 32 CO 0.21 1.02 0.07 -0.07 0.09 0.00 0.00 178.44 179.77 2doa h LEU 33 N 0.97 0.55 0.03 1.67 3.38 -1.28 -0.61 115.31 120.01 2doa h LEU 33 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2doa h LEU 33 Cb 0.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2doa h LEU 33 CO 0.01 0.57 -0.02 -0.09 0.09 0.00 0.00 178.44 179.01 2doa h ARG 34 N 0.58 -0.04 -0.10 1.13 1.12 -1.38 -3.22 114.38 112.46 2doa h ARG 34 Ca 0.13 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.01 2doa h ARG 34 Cb 0.26 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.23 2doa h ARG 34 CO 0.00 0.60 0.07 -0.07 -3.11 0.00 0.00 179.97 177.46 2doa h LEU 35 N -0.74 0.11 -1.46 3.80 3.38 -1.12 -1.33 115.31 117.94 2doa h LEU 35 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2doa h LEU 35 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2doa h LEU 35 CO 0.01 0.08 0.01 -0.61 0.09 0.00 0.00 178.44 178.01 2doa h GLN 36 N 0.12 0.36 -0.04 1.13 4.15 -1.13 0.20 115.11 119.90 2doa h GLN 36 Ca 0.04 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2doa h GLN 36 Cb 0.01 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 2doa h GLN 36 CO -0.01 0.38 0.03 0.87 -1.93 0.00 0.00 178.83 178.17 2doa h LYS 37 N 0.35 0.05 0.04 1.69 1.57 -1.25 -3.12 116.57 115.91 2doa h LYS 37 Ca 0.08 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.59 2doa h LYS 37 Cb 0.22 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.55 2doa h LYS 37 CO 0.00 0.04 -1.06 -0.44 -0.57 0.00 0.00 179.45 177.42 2doa h ASP 38 N 0.05 0.86 0.00 0.86 5.19 -1.56 -3.48 116.42 118.34 2doa h ASP 38 Ca 0.01 -0.77 0.00 0.00 -0.62 0.00 0.00 57.03 55.65 2doa h ASP 38 Cb 0.00 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.24 2doa h ASP 38 CO -0.00 1.53 0.00 0.61 -3.12 0.00 0.00 179.24 178.26 2doa n GLY 39 N 1.19 2.71 3.52 2.75 0.00 0.68 -4.92 105.19 111.11 2doa n GLY 39 Ca -0.12 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.64 0.00 0.99 2.96 -1.24 -4.56 118.68 116.19 2doa s LEU 40 Ca 0.00 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 54.71 2doa s LEU 40 Cb 0.00 2.52 -0.03 0.00 0.50 0.00 0.00 46.19 49.18 2doa s LEU 40 CO 0.00 -0.60 0.28 0.35 -1.32 0.00 0.00 176.35 175.06 2doa n THR 41 N 0.96 0.00 0.19 3.68 -2.24 -1.26 -4.94 114.28 110.66 2doa n THR 41 Ca -0.19 -2.50 0.06 0.00 -2.27 0.00 0.00 64.05 59.16 2doa n THR 41 Cb 0.57 1.21 0.56 0.00 -2.10 0.00 0.00 70.33 70.57 2doa n THR 41 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2doa h GLN 42 N 0.00 0.14 -0.01 -0.78 5.75 -2.03 0.17 115.11 118.36 2doa h GLN 42 Ca -0.25 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.13 2doa h GLN 42 Cb 1.23 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 2doa h GLN 42 CO 0.37 0.12 -0.52 0.00 -2.65 0.00 0.00 178.83 176.15 2doa h ALA 43 N 1.90 1.13 0.00 3.38 0.00 -2.01 -3.09 119.26 120.57 2doa h ALA 43 Ca 0.04 -0.47 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 2doa h ALA 43 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2doa h ALA 43 CO -0.00 0.65 -1.57 -0.44 0.00 0.00 0.00 179.25 177.89 2doa h ASP 44 N 0.02 0.00 0.53 0.00 3.32 -1.63 -3.27 116.42 115.38 2doa h ASP 44 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2doa h ASP 44 Cb 0.92 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.47 2doa h ASP 44 CO 0.07 0.91 -0.33 0.11 -1.72 0.00 0.00 179.24 178.28 2doa h LYS 45 N 0.00 -0.78 -0.04 3.56 1.57 -0.64 -0.19 116.57 120.06 2doa h LYS 45 Ca -0.23 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2doa h LYS 45 Cb 1.90 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 34.39 2doa h LYS 45 CO 0.08 -0.52 0.00 0.22 -0.57 0.00 0.00 179.45 178.66 2doa h ASP 46 N -0.81 0.05 0.38 0.86 1.82 -1.74 -1.22 116.42 115.75 2doa h ASP 46 Ca -0.07 -0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.48 2doa h ASP 46 Cb 0.65 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 2doa h ASP 46 CO 0.06 0.06 -0.40 0.00 -1.61 0.00 0.00 179.24 177.35 2doa h ALA 47 N 1.95 1.30 -0.67 -0.78 0.00 -1.54 -2.91 119.26 116.61 2doa h ALA 47 Ca 0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2doa h ALA 47 Cb 0.04 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2doa h ALA 47 CO 0.00 0.52 0.14 1.25 0.00 0.00 0.00 179.25 181.16 2doa h LEU 48 N 0.03 1.02 -0.36 0.00 5.85 0.24 0.15 115.31 122.24 2doa h LEU 48 Ca 0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2doa h LEU 48 Cb 0.73 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2doa h LEU 48 CO 0.05 0.99 0.23 -0.78 -0.34 0.00 0.00 178.44 178.59 2doa h ASP 49 N 1.01 0.39 0.98 1.25 1.82 -1.50 0.18 116.42 120.55 2doa h ASP 49 Ca 0.21 -0.01 -0.12 0.00 -0.39 0.00 0.00 57.03 56.72 2doa h ASP 49 Cb 0.39 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 2doa h ASP 49 CO 0.01 0.28 -0.57 1.23 -1.61 0.00 0.00 179.24 178.57 2doa h GLY 50 N 0.46 0.00 0.84 -0.78 0.00 -1.52 -3.11 103.07 98.97 2doa h GLY 50 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.31 2doa h GLY 50 CO -0.04 0.00 -0.58 -2.00 0.00 0.00 0.00 176.54 173.92 2doa h LEU 51 N 0.00 0.58 -0.65 3.11 5.85 -0.56 -3.17 115.31 120.47 2doa h LEU 51 Ca -0.01 -0.71 0.03 0.00 0.84 0.00 0.00 57.88 58.04 2doa h LEU 51 Cb 1.22 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 2doa h LEU 51 CO 0.07 1.21 0.40 -0.07 -0.34 0.00 0.00 178.44 179.71 2doa h LEU 52 N 0.01 0.64 -2.22 2.25 3.38 -0.70 0.61 115.31 119.28 2doa h LEU 52 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2doa h LEU 52 Cb 1.26 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2doa h LEU 52 CO 0.12 0.44 -0.02 1.56 0.09 0.00 0.00 178.44 180.63 2doa h GLN 53 N 0.77 0.00 0.00 1.13 4.20 -1.61 0.87 115.11 120.48 2doa h GLN 53 Ca 0.26 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.87 2doa h GLN 53 Cb 0.03 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2doa h GLN 53 CO -0.11 0.02 -0.91 1.04 -0.67 0.00 0.00 178.83 178.20 2doa n GLN 54 N -4.10 0.50 -1.12 1.46 1.13 -0.46 -4.41 117.38 110.39 2doa n GLN 54 Ca -0.03 0.50 -0.25 0.00 -1.94 0.00 0.00 57.00 55.29 2doa n GLN 54 Cb 0.10 -1.68 0.12 0.00 0.11 0.00 0.00 30.24 28.89 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 -4.52 3.11 -3.59 5.09 0.24 0.20 -4.93 118.33 113.93 2doa n VAL 55 Ca -0.19 -2.03 0.03 0.00 -2.04 0.00 0.00 64.34 60.11 2doa n VAL 55 Cb 0.46 -0.82 -0.00 0.00 -1.47 0.00 0.00 33.84 32.01 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 -3.02 -2.37 0.27 2.33 0.00 0.30 -4.36 121.76 114.91 2doa s ALA 56 Ca 0.52 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.37 2doa s ALA 56 Cb 0.42 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.84 2doa s ALA 56 CO 0.05 -1.04 0.22 0.09 0.00 0.00 0.00 175.76 175.08 2doa n ASN 57 N -0.48 1.82 -3.61 0.00 3.02 0.05 -4.05 115.26 112.01 2doa n ASN 57 Ca -0.09 -1.93 -0.01 0.00 -0.03 0.00 0.00 54.58 52.52 2doa n ASN 57 Cb 0.63 -0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.73 2doa n ASN 57 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2doa s MET 58 N -3.13 0.54 0.29 3.52 -2.45 -1.26 -3.65 119.30 113.16 2doa s MET 58 Ca 0.16 1.27 -0.08 0.00 -1.25 0.00 0.00 55.69 55.79 2doa s MET 58 Cb -0.01 0.67 -0.06 0.00 1.25 0.00 0.00 34.83 36.68 2doa s MET 58 CO 0.10 -0.17 0.60 0.45 1.05 0.00 0.00 175.02 177.05 2doa s SER 59 N 2.59 6.55 -0.46 1.11 0.15 -1.24 -4.99 113.70 117.41 2doa s SER 59 Ca -0.06 0.90 0.02 0.00 0.70 0.00 0.00 55.95 57.51 2doa s SER 59 Cb -0.10 -2.22 0.56 0.00 -1.71 0.00 0.00 66.02 62.55 2doa s SER 59 CO -0.19 -0.18 1.89 0.00 1.20 0.00 0.00 173.24 175.96 2doa n ALA 60 N -0.64 5.55 0.00 5.45 0.00 -1.26 -3.46 120.51 126.15 2doa n ALA 60 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 53.44 50.66 2doa n ALA 60 Cb 0.53 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -0.93 0.00 -0.05 0.00 4.76 -1.26 -4.98 118.16 115.70 2doa n LYS 61 Ca 0.56 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.89 2doa n LYS 61 Cb 1.34 -0.43 -0.03 0.00 -1.84 0.00 0.00 35.03 34.07 2doa n LYS 61 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2doa n ASP 62 N -2.47 1.19 0.00 4.39 9.92 -1.26 -5.07 116.55 123.25 2doa n ASP 62 Ca 0.00 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2doa n ASP 62 Cb 0.24 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2doa n GLY 63 N 2.30 1.63 3.89 0.44 0.00 -1.22 -5.05 105.19 107.18 2doa n GLY 63 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 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 5.35 -0.33 2.61 2.01 -1.26 -3.86 115.64 118.16 2doa s THR 64 Ca 0.00 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 61.93 2doa s THR 64 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 2doa s THR 64 CO 0.00 0.34 0.23 0.00 -0.69 0.00 0.00 174.62 174.51 2doa s THR 66 N 1.72 4.40 0.37 0.00 -4.23 -1.24 -1.95 115.64 114.71 2doa s THR 66 Ca 0.06 -0.17 -0.28 0.00 -1.18 0.00 0.00 61.69 60.12 2doa s THR 66 Cb -0.17 -2.97 -0.11 0.00 1.34 0.00 0.00 72.50 70.59 2doa s THR 66 CO 0.10 0.47 1.51 -0.22 -0.54 0.00 0.00 174.62 175.95 2doa s LEU 67 N 0.41 4.32 1.46 4.79 2.96 -1.26 -0.77 118.68 130.59 2doa s LEU 67 Ca 0.00 3.06 -0.24 0.00 -0.22 0.00 0.00 54.13 56.73 2doa s LEU 67 Cb -0.13 -3.66 0.38 0.00 0.50 0.00 0.00 46.19 43.27 2doa s LEU 67 CO 0.01 -0.90 0.91 -1.10 -1.32 0.00 0.00 176.35 173.96 2doa s GLN 68 N -1.88 -3.21 -0.15 1.98 -0.21 -1.26 -4.88 119.66 110.04 2doa s GLN 68 Ca 0.54 0.07 -0.17 0.00 0.02 0.00 0.00 55.36 55.82 2doa s GLN 68 Cb -0.47 -1.35 -0.23 0.00 1.00 0.00 0.00 33.01 31.96 2doa s GLN 68 CO 0.62 -5.04 0.39 0.22 -2.12 0.00 0.00 175.29 169.35 2doa h ASP 69 N -3.54 0.20 0.53 5.90 1.82 -2.00 -3.32 116.42 116.02 2doa h ASP 69 Ca -0.41 -0.73 -0.14 0.00 -0.39 0.00 0.00 57.03 55.35 2doa h ASP 69 Cb 1.34 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.27 2doa h ASP 69 CO 0.25 1.57 -0.64 0.00 -1.61 0.00 0.00 179.24 178.82 2doa h MET 71 N 0.07 0.00 -0.40 0.00 2.86 -1.95 -2.49 114.93 113.02 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 1.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 2doa h MET 71 CO 0.09 0.16 0.28 1.88 1.06 0.00 0.00 176.91 180.38 2doa h TYR 72 N 0.00 0.10 -0.17 -0.22 0.05 -1.61 0.11 116.97 115.23 2doa h TYR 72 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 2doa h TYR 72 Cb 0.39 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 2doa h TYR 72 CO 0.00 0.05 -0.05 0.87 -1.05 0.00 0.00 178.16 177.98 2doa h LYS 73 N 0.10 0.26 0.00 4.88 1.79 -1.62 -1.85 116.57 120.12 2doa h LYS 73 Ca 0.19 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2doa h LYS 73 Cb 0.61 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 2doa h LYS 73 CO -0.02 0.33 -0.30 -0.44 -1.08 0.00 0.00 179.45 177.94 2doa h ASP 74 N 0.25 0.00 -2.00 0.86 3.32 -1.13 -3.43 116.42 114.29 2doa h ASP 74 Ca 0.06 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.52 2doa h ASP 74 Cb 0.26 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.82 2doa h ASP 74 CO 0.01 0.30 1.32 0.52 -1.72 0.00 0.00 179.24 179.67 2doa n VAL 75 N -3.93 0.51 -2.27 -1.35 0.31 -0.70 -4.95 118.33 105.95 2doa n VAL 75 Ca -0.02 -0.26 -0.32 0.00 -0.01 0.00 0.00 64.34 63.73 2doa n VAL 75 Cb 0.37 -2.23 -0.02 0.00 -0.91 0.00 0.00 33.84 31.05 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 5.26 3.82 -0.44 5.55 -0.21 -1.26 -4.97 119.66 127.40 2doa s GLN 76 Ca 0.97 0.95 0.04 0.00 0.02 0.00 0.00 55.36 57.34 2doa s GLN 76 Cb -0.51 -2.11 0.67 0.00 1.00 0.00 0.00 33.01 32.05 2doa s GLN 76 CO 0.43 -0.38 1.90 1.63 -2.12 0.00 0.00 175.29 176.75 2doa n LYS 77 N -1.82 2.27 -1.43 2.91 4.76 -1.26 -4.20 118.16 119.38 2doa n LYS 77 Ca 0.07 -3.02 0.03 0.00 -2.87 0.00 0.00 58.31 52.51 2doa n LYS 77 Cb 0.54 -2.17 0.01 0.00 -1.84 0.00 0.00 35.03 31.57 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2doa n ASP 78 N -1.13 0.75 -4.73 4.39 8.00 -1.26 -5.10 116.55 117.46 2doa n ASP 78 Ca 0.59 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.67 2doa n ASP 78 Cb 1.65 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 42.50 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 0.00 2.96 -1.03 1.24 -0.11 -1.26 -4.89 118.94 115.84 2doa s TRP 79 Ca 0.30 0.77 0.22 0.00 1.22 0.00 0.00 56.10 58.60 2doa s TRP 79 Cb 0.34 -3.95 0.93 0.00 -1.50 0.00 0.00 33.47 29.30 2doa s TRP 79 CO -0.15 -3.30 1.69 -0.35 -4.62 0.00 0.00 176.95 170.22 2doa n PRO 80 N 3.00 0.02 -0.02 5.86 -0.04 -1.26 -3.53 135.00 139.03 2doa n PRO 80 Ca 0.10 0.13 -0.16 0.00 -0.04 0.00 0.00 63.50 63.53 2doa n PRO 80 Cb 0.38 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.21 2doa n PRO 80 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2doa h GLY 81 N 3.70 0.17 -1.05 0.55 0.00 -1.90 -3.44 103.07 101.10 2doa h GLY 81 Ca 0.00 -0.40 -0.39 0.00 0.00 0.00 0.00 47.33 46.54 2doa h GLY 81 CO 0.00 0.35 -0.17 -1.72 0.00 0.00 0.00 176.54 175.00 2doa n TYR 82 N -4.41 -2.64 0.05 5.60 4.01 -1.23 -5.00 117.16 113.53 2doa n TYR 82 Ca -0.11 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.15 2doa n TYR 82 Cb 0.60 -1.49 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 -5.07 -0.63 0.13 7.72 2.88 -1.26 -5.00 113.62 112.39 2doa n SER 83 Ca 0.08 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.80 2doa n SER 83 Cb 0.57 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.85 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 -2.74 0.00 0.00 -1.46 1.02 -1.26 -4.74 120.64 111.45 2doa n GLU 84 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 2doa n GLU 84 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 31.44 31.87 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 0.54 1.68 0.62 0.00 -2.00 -2.03 103.07 101.88 2doa h GLY 85 Ca 0.00 -0.19 -0.26 0.00 0.00 0.00 0.00 47.33 46.88 2doa h GLY 85 CO 0.00 0.18 -1.21 -0.55 0.00 0.00 0.00 176.54 174.95 2doa h ASP 86 N 0.49 0.31 0.02 0.19 5.19 -1.96 -3.06 116.42 117.60 2doa h ASP 86 Ca 0.17 -0.34 -0.00 0.00 -0.62 0.00 0.00 57.03 56.24 2doa h ASP 86 Cb 0.06 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.47 2doa h ASP 86 CO -0.04 1.27 -0.01 1.56 -3.12 0.00 0.00 179.24 178.90 2doa h GLN 87 N 0.05 -0.03 -0.66 3.56 1.08 -1.68 0.88 115.11 118.31 2doa h GLN 87 Ca -0.11 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.02 2doa h GLN 87 Cb 1.93 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 29.33 2doa h GLN 87 CO 0.18 -0.01 0.16 1.96 -0.95 0.00 0.00 178.83 180.17 2doa h GLN 88 N -0.04 1.04 -0.63 1.46 4.20 -1.54 -2.39 115.11 117.22 2doa h GLN 88 Ca -0.00 -0.24 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 2doa h GLN 88 Cb 0.03 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 2doa h GLN 88 CO 0.00 0.92 0.05 1.25 -0.67 0.00 0.00 178.83 180.39 2doa h LEU 89 N 0.99 1.03 -1.52 1.46 5.85 -1.38 -2.42 115.31 119.32 2doa h LEU 89 Ca 0.21 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2doa h LEU 89 Cb 0.35 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2doa h LEU 89 CO 0.00 1.05 -0.10 0.25 -0.34 0.00 0.00 178.44 179.30 2doa h LEU 90 N 0.98 0.00 -0.04 2.25 6.46 -0.56 -2.20 115.31 122.20 2doa h LEU 90 Ca 0.19 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.73 2doa h LEU 90 Cb 0.49 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 2doa h LEU 90 CO 0.02 0.10 -1.02 0.11 -0.62 0.00 0.00 178.44 177.03 2doa h LYS 91 N 0.00 0.07 0.02 1.25 1.57 -0.95 -3.16 116.57 115.38 2doa h LYS 91 Ca -0.00 -0.11 -0.24 0.00 -1.87 0.00 0.00 60.65 58.43 2doa h LYS 91 Cb 0.53 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 2doa h LYS 91 CO 0.01 1.02 -1.19 0.07 -0.57 0.00 0.00 179.45 178.79 2doa h ARG 92 N 0.02 0.04 -0.54 3.15 0.11 -1.21 -3.27 114.38 112.69 2doa h ARG 92 Ca -0.04 -0.08 -0.08 0.00 0.10 0.00 0.00 59.98 59.89 2doa h ARG 92 Cb 1.75 0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.84 2doa h ARG 92 CO 0.14 0.94 0.03 0.28 0.10 0.00 0.00 179.97 181.46 2doa h VAL 93 N 0.01 1.26 -0.23 0.08 2.07 -1.48 0.33 116.25 118.30 2doa h VAL 93 Ca -0.09 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.33 2doa h VAL 93 Cb 1.85 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2doa h VAL 93 CO 0.13 0.38 -0.07 -0.07 0.02 0.00 0.00 177.57 177.96 2doa h LEU 94 N 0.81 0.33 0.03 2.57 3.38 -1.65 -1.41 115.31 119.37 2doa h LEU 94 Ca 0.16 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.83 2doa h LEU 94 Cb 0.49 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2doa h LEU 94 CO 0.02 0.44 -1.15 0.58 0.09 0.00 0.00 178.44 178.42 2doa h VAL 95 N 0.34 1.55 -0.08 1.22 2.07 -1.54 -1.90 116.25 117.90 2doa h VAL 95 Ca 0.07 -3.25 -0.14 0.00 0.82 0.00 0.00 66.70 64.20 2doa h VAL 95 Cb 0.34 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 2doa h VAL 95 CO 0.02 0.90 -0.57 -0.09 0.02 0.00 0.00 177.57 177.85 2doa h ARG 96 N 0.01 0.25 0.00 1.57 9.65 -0.53 -3.36 114.38 121.98 2doa h ARG 96 Ca -0.07 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2doa h ARG 96 Cb 1.84 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.44 2doa h ARG 96 CO 0.14 0.75 -0.23 0.87 2.80 0.00 0.00 179.97 184.30 2doa h LYS 97 N 0.19 0.00 -6.51 0.20 1.79 -1.34 -3.46 116.57 107.44 2doa h LYS 97 Ca -0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2doa h LYS 97 Cb 1.06 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.75 2doa h LYS 97 CO 0.09 0.00 1.12 -0.51 -1.08 0.00 0.00 179.45 179.07 2doa s LEU 98 N -7.40 4.40 -0.51 2.94 1.43 -0.71 -4.88 118.68 113.94 2doa s LEU 98 Ca -0.07 2.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.82 2doa s LEU 98 Cb 0.01 -3.57 0.51 0.00 0.03 0.00 0.00 46.19 43.17 2doa s LEU 98 CO 0.10 -1.01 1.94 -0.24 0.23 0.00 0.00 176.35 177.36 2doa n SER 99 N 5.68 5.62 -2.03 2.29 2.88 -1.26 -4.72 113.62 122.09 2doa n SER 99 Ca 0.18 -3.56 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 2doa n SER 99 Cb 0.38 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 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 -0.85 1.21 3.52 0.46 0.00 -1.26 -4.87 105.19 103.41 2doa n GLY 100 Ca 0.56 -1.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 0.67 -2.68 1.61 -0.02 -1.26 -4.89 135.00 128.43 2doa n PRO 101 Ca 0.00 0.03 -0.43 0.00 -2.02 0.00 0.00 63.50 61.08 2doa n PRO 101 Cb 0.00 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 30.82 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 10.55 7.16 -0.12 2.55 1.04 -1.26 -4.82 113.70 128.80 2doa s SER 102 Ca 1.13 1.44 0.05 0.00 0.48 0.00 0.00 55.95 59.04 2doa s SER 102 Cb -0.64 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.08 2doa s SER 102 CO 0.37 -0.57 0.89 -1.54 0.98 0.00 0.00 173.24 173.37 2doa n SER 103 N 5.75 -0.73 0.00 7.02 3.41 -1.26 -5.28 113.62 122.53 2doa n SER 103 Ca 0.10 -1.48 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 2doa n SER 103 Cb 0.47 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49