#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 4.35 0.33 1.61 1.04 -1.26 -5.08 113.70 114.70 2doa s SER 2 Ca 0.00 -2.90 0.04 0.00 0.48 0.00 0.00 55.95 53.56 2doa s SER 2 Cb 0.00 -1.62 -0.01 0.00 0.10 0.00 0.00 66.02 64.48 2doa s SER 2 CO 0.00 -0.25 0.14 -0.24 0.98 0.00 0.00 173.24 173.87 2doa n SER 3 N 3.25 0.92 0.00 7.02 2.88 -1.26 -5.12 113.62 121.31 2doa n SER 3 Ca 0.05 -2.83 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 2doa n SER 3 Cb 0.33 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 2doa n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doa n GLY 4 N -0.35 1.88 2.74 0.46 0.00 -1.26 -5.10 105.19 103.58 2doa n GLY 4 Ca -0.03 -1.23 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 2doa n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2doa s SER 5 N 0.00 1.51 -0.30 1.61 1.04 -1.26 -5.10 113.70 111.19 2doa s SER 5 Ca 0.00 -1.22 -0.28 0.00 0.48 0.00 0.00 55.95 54.93 2doa s SER 5 Cb 0.00 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2doa s SER 5 CO 0.00 -0.32 2.06 -0.44 0.98 0.00 0.00 173.24 175.52 2doa s SER 6 N 1.86 5.52 0.00 7.02 0.01 -1.26 -4.97 113.70 121.88 2doa s SER 6 Ca 0.13 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2doa s SER 6 Cb -0.15 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.56 2doa s SER 6 CO -0.17 -1.97 0.00 0.61 0.41 0.00 0.00 173.24 172.11 2doa n GLY 7 N 5.65 -1.98 0.09 3.44 0.00 -1.26 -4.66 105.19 106.47 2doa n GLY 7 Ca 0.27 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.38 1.51 0.08 1.61 0.31 -1.26 -4.04 118.33 116.16 2doa n VAL 8 Ca 0.00 -0.81 -0.10 0.00 -0.01 0.00 0.00 64.34 63.42 2doa n VAL 8 Cb 0.00 -0.82 -0.11 0.00 -0.91 0.00 0.00 33.84 32.00 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 0.18 -0.22 4.52 0.87 -1.94 -3.26 113.55 113.70 2doa h SER 9 Ca -0.43 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 59.89 2doa h SER 9 Cb 2.12 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 64.00 2doa h SER 9 CO 0.05 1.12 -0.05 1.56 -0.53 0.00 0.00 176.83 178.98 2doa h GLN 10 N 0.04 0.56 -7.13 2.24 4.20 -1.94 -3.44 115.11 109.65 2doa h GLN 10 Ca -0.06 -0.14 -0.54 0.00 0.06 0.00 0.00 58.65 57.97 2doa h GLN 10 Cb 1.80 -0.07 0.14 0.00 0.30 0.00 0.00 27.48 29.65 2doa h GLN 10 CO 0.16 0.62 0.46 1.03 -0.67 0.00 0.00 178.83 180.42 2doa s ARG 11 N -4.88 2.62 1.08 1.46 1.81 -1.23 -4.98 118.95 114.82 2doa s ARG 11 Ca -0.08 1.85 -0.16 0.00 -1.72 0.00 0.00 55.73 55.62 2doa s ARG 11 Cb 0.15 -1.88 0.16 0.00 -0.45 0.00 0.00 34.95 32.93 2doa s ARG 11 CO 0.78 -1.49 0.23 -2.30 -0.68 0.00 0.00 175.30 171.84 2doa n PRO 12 N -2.03 -2.26 0.06 3.54 -0.02 -1.26 -4.84 135.00 128.18 2doa n PRO 12 Ca 0.14 -0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 60.79 2doa n PRO 12 Cb 0.49 -1.57 -0.14 0.00 -0.02 0.00 0.00 33.50 32.26 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 -2.55 0.42 -0.10 6.00 3.57 -1.94 -3.19 116.94 119.15 2doa h PHE 13 Ca -0.35 -0.31 -0.08 0.00 3.53 0.00 0.00 57.97 60.76 2doa h PHE 13 Cb 1.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2doa h PHE 13 CO -2.04 1.37 -0.32 -0.09 -2.23 0.00 0.00 178.31 175.00 2doa h ARG 14 N 0.06 0.20 -0.09 1.11 2.43 -2.00 -2.82 114.38 113.27 2doa h ARG 14 Ca -0.25 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 58.65 2doa h ARG 14 Cb 2.01 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 31.55 2doa h ARG 14 CO 0.15 0.50 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.92 2doa h ASP 15 N 0.17 0.60 -0.13 -3.80 3.32 -1.93 -0.13 116.42 114.52 2doa h ASP 15 Ca 0.02 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.67 2doa h ASP 15 Cb 0.66 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2doa h ASP 15 CO 0.05 1.16 0.08 0.03 -1.72 0.00 0.00 179.24 178.83 2doa h ARG 16 N 0.33 0.18 -0.04 3.56 3.08 -1.48 -0.23 114.38 119.78 2doa h ARG 16 Ca -0.04 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 2doa h ARG 16 Cb 1.35 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.38 2doa h ARG 16 CO 0.14 0.18 -0.79 0.28 -1.07 0.00 0.00 179.97 178.70 2doa h VAL 17 N 0.14 1.33 -0.20 2.04 2.07 -1.56 -2.75 116.25 117.33 2doa h VAL 17 Ca 0.05 -2.08 0.02 0.00 0.82 0.00 0.00 66.70 65.51 2doa h VAL 17 Cb 0.04 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2doa h VAL 17 CO -0.01 0.63 0.13 0.25 0.02 0.00 0.00 177.57 178.60 2doa h LEU 18 N 0.24 0.16 -0.03 2.57 5.85 -0.95 -1.13 115.31 122.03 2doa h LEU 18 Ca -0.09 -0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.41 2doa h LEU 18 Cb 1.45 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 2doa h LEU 18 CO 0.16 0.11 -1.03 0.45 -0.34 0.00 0.00 178.44 177.79 2doa h HIS 19 N 0.19 0.13 0.21 1.25 3.86 -1.03 -2.85 115.15 116.91 2doa h HIS 19 Ca 0.08 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 2doa h HIS 19 Cb 0.10 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.56 2doa h HIS 19 CO -0.00 1.05 -0.10 -0.07 0.86 0.00 0.00 177.93 179.66 2doa h LEU 20 N 0.03 -0.24 -1.93 2.43 3.38 -0.94 -3.14 115.31 114.89 2doa h LEU 20 Ca -0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2doa h LEU 20 Cb 1.77 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 2doa h LEU 20 CO 0.14 0.21 -0.11 -0.07 0.09 0.00 0.00 178.44 178.70 2doa h LEU 21 N -0.75 0.00 -1.36 1.67 3.38 -1.39 -2.32 115.31 114.54 2doa h LEU 21 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2doa h LEU 21 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2doa h LEU 21 CO 0.05 0.11 0.50 0.00 0.09 0.00 0.00 178.44 179.18 2doa h ALA 22 N 1.89 1.73 -0.97 1.53 0.00 -1.45 -3.26 119.26 118.73 2doa h ALA 22 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2doa h ALA 22 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2doa h ALA 22 CO 0.01 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.68 2doa n LEU 23 N -4.49 0.70 -4.03 0.00 4.77 -0.87 -4.94 117.00 108.14 2doa n LEU 23 Ca 0.12 0.48 -0.08 0.00 -0.03 0.00 0.00 56.01 56.50 2doa n LEU 23 Cb 0.27 -0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 2doa n LEU 23 CO 0.33 -0.34 -0.34 0.00 -1.33 0.00 0.00 177.39 175.71 2doa s ARG 24 N -1.14 0.50 -0.04 3.23 1.70 -1.22 -5.02 118.95 116.97 2doa s ARG 24 Ca 0.00 -0.96 -0.36 0.00 -0.47 0.00 0.00 55.73 53.94 2doa s ARG 24 Cb 0.00 0.18 -0.14 0.00 -0.57 0.00 0.00 34.95 34.41 2doa s ARG 24 CO 0.00 -0.09 1.66 -2.30 -1.08 0.00 0.00 175.30 173.48 2doa n PRO 25 N 0.70 1.69 -4.09 3.89 -0.02 -1.26 -4.38 135.00 131.53 2doa n PRO 25 Ca -0.18 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 2doa n PRO 25 Cb 0.59 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 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 2.40 2.73 1.27 6.00 2.02 -1.25 -4.88 117.35 125.65 2doa s TYR 26 Ca 0.89 -1.67 -0.21 0.00 -0.37 0.00 0.00 57.07 55.71 2doa s TYR 26 Cb -0.84 -1.86 0.32 0.00 -0.40 0.00 0.00 41.96 39.18 2doa s TYR 26 CO 0.51 -0.79 1.04 0.54 -1.57 0.00 0.00 175.55 175.27 2doa n ARG 27 N 4.62 -3.51 0.11 -0.62 1.74 -1.26 -2.80 116.66 114.95 2doa n ARG 27 Ca -0.19 -1.68 -0.03 0.00 -0.77 0.00 0.00 57.85 55.18 2doa n ARG 27 Cb 0.49 -1.68 0.13 0.00 -1.02 0.00 0.00 32.46 30.37 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 0.11 0.15 5.56 1.57 -1.96 -1.46 116.57 120.53 2doa h LYS 28 Ca -0.41 -0.08 -0.32 0.00 -1.87 0.00 0.00 60.65 57.97 2doa h LYS 28 Cb 1.26 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2doa h LYS 28 CO 0.26 0.71 -1.61 0.00 -0.57 0.00 0.00 179.45 178.24 2doa h ALA 29 N 1.26 0.22 -0.05 3.86 0.00 -1.92 -2.52 119.26 120.11 2doa h ALA 29 Ca -0.01 -1.11 -0.13 0.00 0.00 0.00 0.00 54.91 53.66 2doa h ALA 29 Cb 1.16 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2doa h ALA 29 CO 0.09 1.08 -0.56 0.93 0.00 0.00 0.00 179.25 180.80 2doa h GLU 30 N 0.09 0.15 0.03 0.00 4.39 -1.91 -2.75 114.58 114.56 2doa h GLU 30 Ca -0.28 -0.09 -0.25 0.00 0.34 0.00 0.00 59.36 59.08 2doa h GLU 30 Cb 2.05 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.69 2doa h GLU 30 CO 0.17 0.67 -1.26 1.25 -1.16 0.00 0.00 179.01 178.68 2doa h LEU 31 N 0.11 0.10 -1.02 1.33 5.85 -1.38 -3.06 115.31 117.24 2doa h LEU 31 Ca -0.00 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2doa h LEU 31 Cb 1.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2doa h LEU 31 CO 0.08 1.10 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.99 2doa h LEU 32 N 0.02 0.43 -0.11 2.25 3.38 -1.37 -0.08 115.31 119.83 2doa h LEU 32 Ca -0.12 -0.13 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 2doa h LEU 32 Cb 1.88 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 2doa h LEU 32 CO 0.13 0.66 -0.99 -0.07 0.09 0.00 0.00 178.44 178.26 2doa h LEU 33 N 0.39 0.16 0.03 1.67 3.38 -1.57 -2.93 115.31 116.44 2doa h LEU 33 Ca 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2doa h LEU 33 Cb 0.61 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2doa h LEU 33 CO 0.04 1.05 -0.01 -0.09 0.09 0.00 0.00 178.44 179.52 2doa h ARG 34 N 0.05 -0.04 -0.12 1.13 1.12 -1.39 -3.25 114.38 111.88 2doa h ARG 34 Ca -0.05 0.00 0.03 0.00 -1.11 0.00 0.00 59.98 58.85 2doa h ARG 34 Cb 1.69 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.65 2doa h ARG 34 CO 0.14 0.63 0.08 -0.07 -3.11 0.00 0.00 179.97 177.65 2doa h LEU 35 N -0.76 0.04 -1.93 3.80 3.38 -1.13 -0.98 115.31 117.72 2doa h LEU 35 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2doa h LEU 35 Cb 0.68 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2doa h LEU 35 CO 0.01 0.03 0.10 -0.61 0.09 0.00 0.00 178.44 178.05 2doa h GLN 36 N 0.04 0.09 -0.29 1.13 -0.00 -1.54 -0.26 115.11 114.28 2doa h GLN 36 Ca 0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2doa h GLN 36 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.61 2doa h GLN 36 CO -0.00 0.06 0.18 0.87 0.00 0.00 0.00 178.83 179.93 2doa h LYS 37 N 0.10 0.40 0.01 1.69 1.79 -1.25 -2.91 116.57 116.38 2doa h LYS 37 Ca 0.06 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.28 2doa h LYS 37 Cb 0.12 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2doa h LYS 37 CO -0.01 0.30 -0.94 -0.44 -1.08 0.00 0.00 179.45 177.29 2doa h ASP 38 N 0.37 0.39 0.00 0.86 3.32 -1.52 -3.47 116.42 116.38 2doa h ASP 38 Ca 0.11 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2doa h ASP 38 Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2doa h ASP 38 CO -0.02 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.25 2doa n GLY 39 N 0.96 1.24 3.20 2.75 0.00 -0.17 -4.84 105.19 108.34 2doa n GLY 39 Ca -0.05 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.17 0.00 0.99 2.96 -1.22 -4.82 118.68 118.76 2doa s LEU 40 Ca 0.00 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 2doa s LEU 40 Cb 0.00 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.25 2doa s LEU 40 CO 0.00 0.10 0.13 0.35 -1.32 0.00 0.00 176.35 175.61 2doa n THR 41 N 3.92 0.00 -0.08 3.68 -2.24 -1.26 -4.89 114.28 113.41 2doa n THR 41 Ca -0.20 -1.89 0.02 0.00 -2.27 0.00 0.00 64.05 59.71 2doa n THR 41 Cb 0.52 0.19 0.33 0.00 -2.10 0.00 0.00 70.33 69.27 2doa n THR 41 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2doa h GLN 42 N 0.00 0.70 -0.12 -0.78 1.08 -2.00 0.21 115.11 114.20 2doa h GLN 42 Ca -0.32 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 56.75 2doa h GLN 42 Cb 1.04 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2doa h GLN 42 CO 0.52 0.52 -0.15 0.00 -0.95 0.00 0.00 178.83 178.77 2doa h ALA 43 N 1.60 0.18 -0.05 3.87 0.00 -1.99 -2.50 119.26 120.37 2doa h ALA 43 Ca 0.18 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2doa h ALA 43 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2doa h ALA 43 CO -0.03 0.07 -0.44 -0.44 0.00 0.00 0.00 179.25 178.41 2doa h ASP 44 N -0.09 0.12 -0.27 0.00 3.32 -1.88 -1.09 116.42 116.52 2doa h ASP 44 Ca 0.01 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 2doa h ASP 44 Cb 0.70 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 2doa h ASP 44 CO 0.04 0.55 -0.01 0.11 -1.72 0.00 0.00 179.24 178.21 2doa h LYS 45 N 0.09 0.48 -0.04 3.56 1.57 -0.56 0.10 116.57 121.78 2doa h LYS 45 Ca 0.00 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 2doa h LYS 45 Cb 0.83 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2doa h LYS 45 CO 0.06 0.65 -0.73 0.22 -0.57 0.00 0.00 179.45 179.08 2doa h ASP 46 N 0.26 0.27 0.65 0.86 1.82 -1.37 -3.14 116.42 115.76 2doa h ASP 46 Ca 0.08 -0.18 -0.15 0.00 -0.39 0.00 0.00 57.03 56.38 2doa h ASP 46 Cb 0.44 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 40.35 2doa h ASP 46 CO 0.02 0.91 -0.71 0.00 -1.61 0.00 0.00 179.24 177.84 2doa h ALA 47 N 1.09 0.81 -0.33 -0.78 0.00 -1.11 -3.13 119.26 115.81 2doa h ALA 47 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2doa h ALA 47 Cb 1.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2doa h ALA 47 CO 0.11 0.86 0.21 1.25 0.00 0.00 0.00 179.25 181.69 2doa h LEU 48 N 0.03 0.38 0.40 0.00 5.85 -0.74 -0.42 115.31 120.80 2doa h LEU 48 Ca -0.01 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2doa h LEU 48 Cb 1.26 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2doa h LEU 48 CO 0.10 0.28 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.50 2doa h ASP 49 N 0.44 -0.45 0.42 1.25 1.82 -1.61 -1.26 116.42 117.03 2doa h ASP 49 Ca 0.12 -0.09 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 2doa h ASP 49 Cb -0.04 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2doa h ASP 49 CO -0.02 -0.16 -0.24 1.23 -1.61 0.00 0.00 179.24 178.43 2doa h GLY 50 N -0.75 0.00 1.05 -0.78 0.00 -1.60 -2.88 103.07 98.12 2doa h GLY 50 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 2doa h GLY 50 CO 0.09 0.00 -0.51 -2.00 0.00 0.00 0.00 176.54 174.12 2doa h LEU 51 N 0.00 0.85 -0.80 3.11 5.85 -0.97 -3.07 115.31 120.28 2doa h LEU 51 Ca -0.00 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.16 2doa h LEU 51 Cb 0.51 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2doa h LEU 51 CO 0.03 1.25 0.48 -0.07 -0.34 0.00 0.00 178.44 179.79 2doa h LEU 52 N 0.49 0.95 -1.95 2.25 3.38 -1.02 0.58 115.31 119.99 2doa h LEU 52 Ca 0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2doa h LEU 52 Cb 1.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2doa h LEU 52 CO 0.11 0.74 -0.11 1.56 0.09 0.00 0.00 178.44 180.83 2doa h GLN 53 N 1.09 0.00 0.00 1.13 4.20 -1.52 0.83 115.11 120.84 2doa h GLN 53 Ca 0.29 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.80 2doa h GLN 53 Cb -0.05 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.70 2doa h GLN 53 CO -0.05 0.11 -1.20 1.04 -0.67 0.00 0.00 178.83 178.05 2doa n GLN 54 N -3.97 0.54 -1.08 1.46 1.13 -0.65 -4.35 117.38 110.46 2doa n GLN 54 Ca -0.02 0.53 -0.21 0.00 -1.94 0.00 0.00 57.00 55.35 2doa n GLN 54 Cb 0.20 -1.70 0.15 0.00 0.11 0.00 0.00 30.24 29.00 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 -4.46 2.95 -3.78 5.09 0.24 0.19 -4.94 118.33 113.62 2doa n VAL 55 Ca -0.28 -1.71 0.03 0.00 -2.04 0.00 0.00 64.34 60.34 2doa n VAL 55 Cb 0.60 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.90 -2.49 -0.02 2.33 0.00 0.29 -4.24 121.76 114.72 2doa s ALA 56 Ca 0.50 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.96 2doa s ALA 56 Cb 0.42 0.58 0.02 0.00 0.00 0.00 0.00 23.12 24.14 2doa s ALA 56 CO 0.09 -1.11 -0.01 -0.80 0.00 0.00 0.00 175.76 173.93 2doa s ASN 57 N -3.40 0.43 0.90 0.00 0.01 -0.03 -4.07 114.94 108.78 2doa s ASN 57 Ca 0.22 -0.04 -0.12 0.00 -0.71 0.00 0.00 52.86 52.21 2doa s ASN 57 Cb 0.03 -0.18 0.13 0.00 0.41 0.00 0.00 41.25 41.64 2doa s ASN 57 CO -0.04 -0.06 1.13 -0.32 -1.51 0.00 0.00 177.10 176.31 2doa s MET 58 N 0.69 1.27 0.38 -0.60 1.75 -1.25 -1.26 119.30 120.28 2doa s MET 58 Ca -0.07 0.33 0.08 0.00 -1.25 0.00 0.00 55.69 54.78 2doa s MET 58 Cb -0.10 -1.85 -0.03 0.00 2.84 0.00 0.00 34.83 35.69 2doa s MET 58 CO -0.01 -2.12 0.27 0.45 -0.65 0.00 0.00 175.02 172.96 2doa s SER 59 N -4.01 4.90 -0.26 1.11 0.15 -0.29 -4.87 113.70 110.42 2doa s SER 59 Ca 0.63 -0.76 0.09 0.00 0.70 0.00 0.00 55.95 56.62 2doa s SER 59 Cb -0.15 -0.68 0.45 0.00 -1.71 0.00 0.00 66.02 63.94 2doa s SER 59 CO 0.53 -0.49 1.31 0.00 1.20 0.00 0.00 173.24 175.80 2doa n ALA 60 N -1.36 4.19 0.00 5.45 0.00 -1.26 -4.31 120.51 123.21 2doa n ALA 60 Ca 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.08 2doa n ALA 60 Cb 0.62 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.04 0.00 0.00 0.00 4.81 -1.26 -5.00 118.16 115.67 2doa n LYS 61 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.73 2doa n LYS 61 Cb 0.84 -0.25 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2doa n LYS 61 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2doa n ASP 62 N -2.35 1.47 0.00 3.14 2.03 -1.26 -5.07 116.55 114.51 2doa n ASP 62 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2doa n ASP 62 Cb 0.11 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 2doa n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2doa n GLY 63 N 2.74 0.85 3.82 0.27 0.00 -1.26 -5.02 105.19 106.59 2doa n GLY 63 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.67 4.63 -0.80 2.61 2.01 -1.26 -4.09 115.64 117.07 2doa s THR 64 Ca 0.00 1.21 -0.05 0.00 0.31 0.00 0.00 61.69 63.16 2doa s THR 64 Cb 0.00 -3.86 0.20 0.00 0.01 0.00 0.00 72.50 68.86 2doa s THR 64 CO 0.00 0.28 0.68 0.00 -0.69 0.00 0.00 174.62 174.89 2doa s THR 66 N -0.61 3.45 0.40 0.00 -4.23 -0.39 -3.79 115.64 110.47 2doa s THR 66 Ca 0.22 0.49 -0.07 0.00 -1.18 0.00 0.00 61.69 61.15 2doa s THR 66 Cb -0.13 -3.02 -0.05 0.00 1.34 0.00 0.00 72.50 70.64 2doa s THR 66 CO -0.08 -0.60 0.71 -0.22 -0.54 0.00 0.00 174.62 173.90 2doa s LEU 67 N -5.75 3.83 0.41 4.79 2.96 -1.26 -0.85 118.68 122.81 2doa s LEU 67 Ca 0.61 0.93 -0.16 0.00 -0.22 0.00 0.00 54.13 55.29 2doa s LEU 67 Cb -0.17 -3.82 -0.09 0.00 0.50 0.00 0.00 46.19 42.61 2doa s LEU 67 CO 0.54 -0.41 0.86 -1.10 -1.32 0.00 0.00 176.35 174.92 2doa s GLN 68 N -4.11 4.01 0.17 1.98 -0.21 -1.26 -4.84 119.66 115.40 2doa s GLN 68 Ca 0.48 0.82 -0.09 0.00 0.02 0.00 0.00 55.36 56.58 2doa s GLN 68 Cb -0.10 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.65 2doa s GLN 68 CO 0.36 -0.02 1.57 -0.44 -2.12 0.00 0.00 175.29 174.64 2doa h ASP 69 N 1.69 1.02 0.60 5.90 5.19 -1.99 -2.93 116.42 125.90 2doa h ASP 69 Ca -0.48 -0.37 -0.14 0.00 -0.62 0.00 0.00 57.03 55.42 2doa h ASP 69 Cb 1.18 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 2doa h ASP 69 CO 0.63 1.17 -0.66 0.00 -3.12 0.00 0.00 179.24 177.25 2doa h MET 71 N 0.04 0.00 -0.47 0.00 2.86 -1.92 -2.58 114.93 112.86 2doa h MET 71 Ca -0.01 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.77 2doa h MET 71 Cb 1.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 2doa h MET 71 CO 0.09 0.17 0.38 1.88 1.06 0.00 0.00 176.91 180.49 2doa h TYR 72 N 0.00 0.00 0.00 -0.22 0.05 -1.37 0.20 116.97 115.64 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 -1.04 4.88 1.57 -1.65 -1.80 116.57 118.53 2doa h LYS 73 Ca 0.22 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.53 2doa h LYS 73 Cb 0.98 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.03 2doa h LYS 73 CO -0.00 0.01 0.60 -0.25 -0.57 0.00 0.00 179.45 179.23 2doa n ASP 74 N -3.19 4.57 -4.21 0.86 9.92 0.71 -4.86 116.55 120.36 2doa n ASP 74 Ca -0.02 -3.40 -0.35 0.00 -0.53 0.00 0.00 54.79 50.48 2doa n ASP 74 Cb 0.12 -0.84 -0.14 0.00 -0.64 0.00 0.00 41.12 39.62 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 -3.09 3.12 0.47 2.53 1.01 -0.68 -4.96 120.40 118.80 2doa s VAL 75 Ca 0.49 -1.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 2doa s VAL 75 Cb 0.41 -2.68 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 2doa s VAL 75 CO 0.07 0.04 0.97 -1.10 0.00 0.00 0.00 175.10 175.07 2doa s GLN 76 N 1.32 4.09 -0.42 2.72 -0.21 -1.26 -4.97 119.66 120.94 2doa s GLN 76 Ca -0.02 1.07 0.04 0.00 0.02 0.00 0.00 55.36 56.47 2doa s GLN 76 Cb -0.18 -2.16 0.62 0.00 1.00 0.00 0.00 33.01 32.30 2doa s GLN 76 CO -0.02 -0.15 1.85 0.36 -2.12 0.00 0.00 175.29 175.21 2doa n LYS 77 N -1.03 2.17 -1.22 2.91 0.00 -1.26 -4.12 118.16 115.62 2doa n LYS 77 Ca 0.07 -2.80 0.03 0.00 -0.00 0.00 0.00 58.31 55.61 2doa n LYS 77 Cb 0.54 -2.10 0.02 0.00 -0.00 0.00 0.00 35.03 33.49 2doa n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2doa n ASP 78 N -1.03 0.76 -4.71 -5.58 8.00 -1.26 -5.09 116.55 107.63 2doa n ASP 78 Ca 0.56 -2.03 -0.42 0.00 0.71 0.00 0.00 54.79 53.60 2doa n ASP 78 Cb 1.59 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 42.39 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 -0.06 2.94 -1.59 1.24 -0.11 -1.26 -4.88 118.94 115.22 2doa s TRP 79 Ca 0.25 0.51 0.25 0.00 1.22 0.00 0.00 56.10 58.33 2doa s TRP 79 Cb 0.29 -3.99 1.30 0.00 -1.50 0.00 0.00 33.47 29.58 2doa s TRP 79 CO -0.12 -3.71 1.82 -0.35 -4.62 0.00 0.00 176.95 169.97 2doa n PRO 80 N 4.19 0.47 0.05 5.86 -0.04 -1.26 -3.18 135.00 141.09 2doa n PRO 80 Ca 0.15 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.60 2doa n PRO 80 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 3.98 0.00 -0.84 0.55 0.00 -1.91 -3.46 103.07 101.39 2doa h GLY 81 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2doa h GLY 81 CO 0.00 0.00 0.40 -0.19 0.00 0.00 0.00 176.54 176.75 2doa s TYR 82 N -2.75 1.83 0.00 5.60 2.02 -1.19 -5.05 117.35 117.80 2doa s TYR 82 Ca -0.00 0.35 0.00 0.00 -0.37 0.00 0.00 57.07 57.05 2doa s TYR 82 Cb 0.09 -3.95 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 2doa s TYR 82 CO 0.81 -2.44 0.00 0.43 -1.57 0.00 0.00 175.55 172.77 2doa n SER 83 N -3.63 0.00 0.13 2.29 7.64 -1.26 -4.97 113.62 113.82 2doa n SER 83 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2doa n SER 83 Cb 0.60 0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2doa n SER 83 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2doa n GLU 84 N -2.13 0.00 0.23 1.43 1.02 -1.26 -4.65 120.64 115.29 2doa n GLU 84 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 2doa n GLU 84 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 31.44 32.16 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 0.00 0.82 0.62 0.00 -2.00 -1.58 103.07 100.93 2doa h GLY 85 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2doa h GLY 85 CO 0.00 0.00 -1.83 1.22 0.00 0.00 0.00 176.54 175.93 2doa n ASP 86 N -4.26 1.04 0.15 0.19 8.00 -1.26 -3.01 116.55 117.40 2doa n ASP 86 Ca -0.01 0.34 0.02 0.00 0.71 0.00 0.00 54.79 55.85 2doa n ASP 86 Cb 0.17 -0.12 0.38 0.00 -0.02 0.00 0.00 41.12 41.53 2doa n ASP 86 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2doa h GLN 87 N 0.01 0.13 0.14 -1.24 4.20 -1.65 -0.48 115.11 116.22 2doa h GLN 87 Ca -0.34 -0.04 -0.30 0.00 0.06 0.00 0.00 58.65 58.04 2doa h GLN 87 Cb 2.04 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.80 2doa h GLN 87 CO 0.07 0.37 -1.48 1.96 -0.67 0.00 0.00 178.83 179.08 2doa h GLN 88 N 0.12 0.30 -0.75 1.46 4.20 -1.46 -3.32 115.11 115.67 2doa h GLN 88 Ca 0.02 -0.52 -0.04 0.00 0.06 0.00 0.00 58.65 58.18 2doa h GLN 88 Cb 0.49 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.43 2doa h GLN 88 CO 0.03 1.25 0.33 1.25 -0.67 0.00 0.00 178.83 181.02 2doa h LEU 89 N -0.17 1.00 -1.94 1.46 5.85 -1.46 -2.25 115.31 117.81 2doa h LEU 89 Ca -0.31 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.31 2doa h LEU 89 Cb 1.87 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.63 2doa h LEU 89 CO 0.11 0.88 0.15 0.25 -0.34 0.00 0.00 178.44 179.49 2doa h LEU 90 N 1.06 0.07 0.76 2.25 5.85 -1.23 -1.97 115.31 122.10 2doa h LEU 90 Ca 0.25 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 2doa h LEU 90 Cb 0.17 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.19 2doa h LEU 90 CO -0.03 0.05 -0.36 0.11 -0.34 0.00 0.00 178.44 177.87 2doa h LYS 91 N 0.08 -0.98 -0.34 1.25 1.57 -1.50 -1.92 116.57 114.73 2doa h LYS 91 Ca 0.10 0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.00 2doa h LYS 91 Cb 0.29 0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2doa h LYS 91 CO -0.01 -0.64 0.23 0.07 -0.57 0.00 0.00 179.45 178.53 2doa h ARG 92 N -1.20 0.23 0.00 3.15 0.11 -1.48 0.42 114.38 115.62 2doa h ARG 92 Ca -0.10 -0.01 -0.06 0.00 0.10 0.00 0.00 59.98 59.90 2doa h ARG 92 Cb 0.80 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 2doa h ARG 92 CO 0.17 0.15 -0.30 0.28 0.10 0.00 0.00 179.97 180.38 2doa h VAL 93 N 0.24 0.79 0.00 0.08 2.07 -1.22 -1.61 116.25 116.60 2doa h VAL 93 Ca 0.15 -1.24 -0.32 0.00 0.82 0.00 0.00 66.70 66.11 2doa h VAL 93 Cb 0.29 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2doa h VAL 93 CO -0.03 0.29 -2.13 0.18 0.02 0.00 0.00 177.57 175.91 2doa n LEU 94 N -3.57 0.29 0.05 2.57 4.77 -0.05 -3.83 117.00 117.22 2doa n LEU 94 Ca -0.01 0.13 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 2doa n LEU 94 Cb 0.43 0.36 -0.06 0.00 -2.33 0.00 0.00 43.42 41.82 2doa n LEU 94 CO 0.35 0.42 0.31 0.58 -1.33 0.00 0.00 177.39 177.72 2doa h VAL 95 N 0.00 0.66 -0.50 4.08 2.07 -0.21 -0.31 116.25 122.03 2doa h VAL 95 Ca -0.43 -1.11 0.04 0.00 0.82 0.00 0.00 66.70 66.03 2doa h VAL 95 Cb 2.08 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 2doa h VAL 95 CO 0.04 0.18 0.33 0.03 0.02 0.00 0.00 177.57 178.18 2doa h ARG 96 N -0.94 0.50 0.10 1.57 -0.00 -1.52 -2.98 114.38 111.12 2doa h ARG 96 Ca -0.02 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.42 2doa h ARG 96 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.33 2doa h ARG 96 CO 0.04 0.33 -0.05 0.87 0.00 0.00 0.00 179.97 181.16 2doa h LYS 97 N 0.52 -0.13 -5.57 0.04 1.79 -1.66 -3.33 116.57 108.23 2doa h LYS 97 Ca 0.21 0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 58.06 2doa h LYS 97 Cb 0.18 0.03 -0.14 0.00 -1.58 0.00 0.00 32.23 30.72 2doa h LYS 97 CO -0.05 0.30 0.43 -0.51 -1.08 0.00 0.00 179.45 178.54 2doa s LEU 98 N -8.72 4.37 -0.46 2.94 1.43 -0.13 -4.47 118.68 113.64 2doa s LEU 98 Ca -0.11 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.25 2doa s LEU 98 Cb -0.00 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.57 2doa s LEU 98 CO 0.39 -1.18 0.60 -0.24 0.23 0.00 0.00 176.35 176.15 2doa n SER 99 N 7.18 -7.90 0.00 2.29 2.88 -1.26 -4.60 113.62 112.21 2doa n SER 99 Ca -0.01 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 2doa n SER 99 Cb 0.47 -5.36 0.00 0.00 -0.75 0.00 0.00 64.21 58.56 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 -0.44 3.52 3.18 0.46 0.00 -1.25 -4.74 105.19 105.92 2doa n GLY 100 Ca 0.11 -2.01 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.22 0.00 1.61 -0.02 -1.26 -3.76 135.00 129.35 2doa n PRO 101 Ca 0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.84 2doa n PRO 101 Cb 0.00 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2doa n PRO 101 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2doa n SER 102 N -2.04 0.00 0.01 2.55 2.88 -1.26 -3.06 113.62 112.71 2doa n SER 102 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2doa n SER 102 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2doa n SER 102 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2doa n SER 103 N 1.56 -0.09 0.00 -3.46 7.64 -1.25 -5.25 113.62 112.76 2doa n SER 103 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2doa n SER 103 Cb 0.00 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2doa n SER 103 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64