#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 -6.21 -2.32 1.61 3.41 -1.26 -5.01 113.62 103.84 2doa n SER 2 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2doa n SER 2 Cb 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 64.21 62.90 2doa n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2doa n SER 3 N -3.39 -9.50 0.00 4.04 7.64 -1.26 -5.09 113.62 106.07 2doa n SER 3 Ca 0.00 1.82 0.00 0.00 1.01 0.00 0.00 58.87 61.70 2doa n SER 3 Cb 0.16 -5.18 0.00 0.00 -1.01 0.00 0.00 64.21 58.18 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 1.82 3.55 3.11 0.23 0.00 -1.26 -5.01 105.19 107.63 2doa n GLY 4 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 -6.11 -4.22 1.61 7.64 -1.26 -4.95 113.62 106.33 2doa n SER 5 Ca 0.00 -0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.13 2doa n SER 5 Cb 0.00 -4.89 -0.06 0.00 -1.01 0.00 0.00 64.21 58.25 2doa n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2doa s SER 6 N -2.85 6.00 0.00 6.43 1.04 -1.26 -4.45 113.70 118.62 2doa s SER 6 Ca 0.36 -2.67 0.00 0.00 0.48 0.00 0.00 55.95 54.12 2doa s SER 6 Cb -0.16 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 63.92 2doa s SER 6 CO 0.44 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2doa n GLY 7 N 3.88 1.29 0.02 7.32 0.00 -1.26 -4.90 105.19 111.53 2doa n GLY 7 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.18 0.29 0.02 1.61 0.31 -1.26 -4.59 118.33 114.52 2doa n VAL 8 Ca 0.00 -0.12 0.02 0.00 -0.01 0.00 0.00 64.34 64.23 2doa n VAL 8 Cb 0.00 -0.70 0.36 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.44 -0.60 4.52 0.87 -1.93 -2.59 113.55 114.26 2doa h SER 9 Ca -0.11 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2doa h SER 9 Cb 1.18 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 2doa h SER 9 CO -0.02 0.46 0.28 -0.61 -0.53 0.00 0.00 176.83 176.41 2doa h GLN 10 N 0.48 0.87 -7.25 2.24 4.15 -2.00 -3.44 115.11 110.16 2doa h GLN 10 Ca 0.11 -0.13 -0.52 0.00 0.77 0.00 0.00 58.65 58.88 2doa h GLN 10 Cb 0.20 -0.15 0.18 0.00 0.21 0.00 0.00 27.48 27.92 2doa h GLN 10 CO -0.00 0.71 0.27 1.03 -1.93 0.00 0.00 178.83 178.91 2doa s ARG 11 N -5.68 1.39 1.10 1.69 1.81 -0.98 -4.97 118.95 113.31 2doa s ARG 11 Ca -0.13 1.58 -0.19 0.00 -1.72 0.00 0.00 55.73 55.27 2doa s ARG 11 Cb 0.13 -1.77 0.08 0.00 -0.45 0.00 0.00 34.95 32.95 2doa s ARG 11 CO 0.79 -2.36 -0.08 -2.30 -0.68 0.00 0.00 175.30 170.67 2doa n PRO 12 N -3.81 -1.43 0.08 3.54 -0.02 -1.26 -4.88 135.00 127.21 2doa n PRO 12 Ca 0.12 -0.40 -0.16 0.00 -2.02 0.00 0.00 63.50 61.04 2doa n PRO 12 Cb 0.52 -1.66 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 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 -1.97 0.45 -0.08 6.00 3.57 -1.93 -3.20 116.94 119.78 2doa h PHE 13 Ca -0.52 -0.33 -0.11 0.00 3.53 0.00 0.00 57.97 60.55 2doa h PHE 13 Cb 1.36 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2doa h PHE 13 CO 0.16 1.32 -0.43 -0.09 -2.23 0.00 0.00 178.31 177.04 2doa h ARG 14 N 0.07 0.18 -0.03 1.11 2.43 -2.00 -2.83 114.38 113.31 2doa h ARG 14 Ca -0.19 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 58.75 2doa h ARG 14 Cb 1.99 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.52 2doa h ARG 14 CO 0.18 0.58 -0.61 -0.44 -1.51 0.00 0.00 179.97 178.17 2doa h ASP 15 N 0.15 0.14 0.18 -3.80 3.32 -1.93 0.23 116.42 114.71 2doa h ASP 15 Ca 0.01 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2doa h ASP 15 Cb 0.82 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.33 2doa h ASP 15 CO 0.06 0.72 -0.08 0.03 -1.72 0.00 0.00 179.24 178.25 2doa h ARG 16 N 0.09 -0.23 -0.09 3.56 3.08 -1.49 -1.98 114.38 117.32 2doa h ARG 16 Ca -0.01 0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 2doa h ARG 16 Cb 1.10 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 2doa h ARG 16 CO 0.09 0.07 -0.70 0.28 -1.07 0.00 0.00 179.97 178.63 2doa h VAL 17 N -0.53 1.37 -0.86 2.04 2.07 -1.56 -2.48 116.25 116.31 2doa h VAL 17 Ca -0.02 -2.09 0.01 0.00 0.82 0.00 0.00 66.70 65.41 2doa h VAL 17 Cb 0.40 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2doa h VAL 17 CO 0.04 0.63 0.56 0.25 0.02 0.00 0.00 177.57 179.07 2doa h LEU 18 N 0.29 0.99 -0.15 2.57 5.85 -0.95 -1.23 115.31 122.68 2doa h LEU 18 Ca -0.03 -0.03 -0.22 0.00 0.84 0.00 0.00 57.88 58.45 2doa h LEU 18 Cb 1.27 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2doa h LEU 18 CO 0.12 0.72 -0.98 0.45 -0.34 0.00 0.00 178.44 178.42 2doa h HIS 19 N 1.16 0.33 0.14 1.25 3.86 -1.32 -2.94 115.15 117.64 2doa h HIS 19 Ca 0.31 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2doa h HIS 19 Cb -0.12 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.32 2doa h HIS 19 CO 0.00 1.06 -0.07 -0.07 0.86 0.00 0.00 177.93 179.71 2doa h LEU 20 N 0.10 -0.16 -1.70 2.43 3.38 -0.93 -2.77 115.31 115.66 2doa h LEU 20 Ca -0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2doa h LEU 20 Cb 1.65 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.43 2doa h LEU 20 CO 0.15 0.04 -0.15 -0.07 0.09 0.00 0.00 178.44 178.50 2doa h LEU 21 N -0.36 0.00 -0.48 1.67 3.38 -1.34 -2.69 115.31 115.49 2doa h LEU 21 Ca -0.02 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2doa h LEU 21 Cb 0.29 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2doa h LEU 21 CO 0.03 0.15 0.28 0.00 0.09 0.00 0.00 178.44 178.99 2doa h ALA 22 N 1.85 0.61 -0.02 1.53 0.00 -1.30 -2.84 119.26 119.09 2doa h ALA 22 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2doa h ALA 22 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2doa h ALA 22 CO 0.02 -0.04 0.01 -0.07 0.00 0.00 0.00 179.25 179.17 2doa h LEU 23 N 0.55 0.01 -7.00 0.00 3.38 -1.31 -3.47 115.31 107.47 2doa h LEU 23 Ca 0.19 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.36 2doa h LEU 23 Cb 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.60 2doa h LEU 23 CO -0.10 0.01 0.69 0.00 0.09 0.00 0.00 178.44 179.13 2doa s ARG 24 N -6.19 0.48 -0.01 1.13 1.70 -1.07 -4.96 118.95 110.04 2doa s ARG 24 Ca -0.13 -0.14 -0.36 0.00 -0.47 0.00 0.00 55.73 54.63 2doa s ARG 24 Cb 0.06 0.22 -0.14 0.00 -0.57 0.00 0.00 34.95 34.52 2doa s ARG 24 CO 0.66 -0.20 1.62 -2.30 -1.08 0.00 0.00 175.30 174.00 2doa n PRO 25 N -0.04 1.69 -4.02 3.89 -0.02 -1.26 -4.31 135.00 130.92 2doa n PRO 25 Ca -0.03 0.61 -0.33 0.00 -2.02 0.00 0.00 63.50 61.73 2doa n PRO 25 Cb 0.59 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.07 3.20 1.20 6.00 2.02 -0.86 -4.88 117.35 126.10 2doa s TYR 26 Ca 0.88 -2.07 -0.14 0.00 -0.37 0.00 0.00 57.07 55.37 2doa s TYR 26 Cb -0.83 -1.98 0.29 0.00 -0.40 0.00 0.00 41.96 39.03 2doa s TYR 26 CO 0.49 -0.84 0.90 0.54 -1.57 0.00 0.00 175.55 175.08 2doa n ARG 27 N 4.52 -2.61 -0.07 -0.62 1.74 -1.26 -2.45 116.66 115.91 2doa n ARG 27 Ca -0.15 -0.74 -0.11 0.00 -0.77 0.00 0.00 57.85 56.09 2doa n ARG 27 Cb 0.44 -2.10 -0.04 0.00 -1.02 0.00 0.00 32.46 29.73 2doa n ARG 27 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2doa h LYS 28 N -2.72 0.35 -0.15 5.56 3.64 -1.95 0.29 116.57 121.58 2doa h LYS 28 Ca -0.63 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 58.52 2doa h LYS 28 Cb 1.34 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2doa h LYS 28 CO 0.49 0.47 -0.51 0.00 -2.27 0.00 0.00 179.45 177.63 2doa h ALA 29 N 0.86 0.84 -0.05 5.00 0.00 -1.91 0.85 119.26 124.85 2doa h ALA 29 Ca 0.07 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 2doa h ALA 29 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2doa h ALA 29 CO 0.00 0.67 -0.76 0.93 0.00 0.00 0.00 179.25 180.10 2doa h GLU 30 N 0.32 0.31 0.04 0.00 3.07 -1.88 -2.74 114.58 113.70 2doa h GLU 30 Ca 0.01 -0.27 -0.24 0.00 -0.50 0.00 0.00 59.36 58.36 2doa h GLU 30 Cb 1.01 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.96 2doa h GLU 30 CO 0.09 0.93 -1.16 1.25 -1.40 0.00 0.00 179.01 178.72 2doa h LEU 31 N 0.21 0.12 -0.08 1.33 5.85 -0.33 -2.77 115.31 119.63 2doa h LEU 31 Ca -0.03 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2doa h LEU 31 Cb 1.34 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 2doa h LEU 31 CO 0.12 1.11 0.00 -0.07 -0.34 0.00 0.00 178.44 179.26 2doa h LEU 32 N 0.02 0.14 -0.84 2.25 3.38 -0.83 -2.37 115.31 117.06 2doa h LEU 32 Ca -0.08 -0.30 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 2doa h LEU 32 Cb 1.86 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2doa h LEU 32 CO 0.14 0.41 -0.47 -0.07 0.09 0.00 0.00 178.44 178.55 2doa h LEU 33 N -0.13 0.27 0.83 1.67 3.38 -1.61 -2.64 115.31 117.09 2doa h LEU 33 Ca 0.02 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2doa h LEU 33 Cb 0.34 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.02 2doa h LEU 33 CO 0.00 0.70 -0.40 0.03 0.09 0.00 0.00 178.44 178.87 2doa h ARG 34 N 0.20 -1.07 -0.12 1.13 2.47 -1.40 -2.67 114.38 112.93 2doa h ARG 34 Ca 0.01 0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2doa h ARG 34 Cb 0.91 0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 29.46 2doa h ARG 34 CO 0.07 -0.71 0.08 -0.07 0.56 0.00 0.00 179.97 179.90 2doa h LEU 35 N -1.13 0.10 -1.81 3.04 3.38 -1.47 -1.10 115.31 116.32 2doa h LEU 35 Ca -0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2doa h LEU 35 Cb 0.86 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2doa h LEU 35 CO 0.19 0.07 0.08 -0.61 0.09 0.00 0.00 178.44 178.26 2doa h GLN 36 N 0.12 0.20 -0.07 1.13 4.15 -1.14 0.13 115.11 119.63 2doa h GLN 36 Ca 0.05 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2doa h GLN 36 Cb 0.04 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2doa h GLN 36 CO -0.01 0.15 -0.30 0.87 -1.93 0.00 0.00 178.83 177.62 2doa h LYS 37 N 0.21 0.13 0.13 1.69 1.57 -0.90 -3.16 116.57 116.24 2doa h LYS 37 Ca 0.05 -0.05 -0.33 0.00 -1.87 0.00 0.00 60.65 58.46 2doa h LYS 37 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2doa h LYS 37 CO -0.01 0.42 -1.71 -0.44 -0.57 0.00 0.00 179.45 177.14 2doa h ASP 38 N 0.12 0.44 0.00 0.86 5.19 -1.28 -3.48 116.42 118.27 2doa h ASP 38 Ca 0.02 -0.89 0.00 0.00 -0.62 0.00 0.00 57.03 55.53 2doa h ASP 38 Cb 0.60 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.96 2doa h ASP 38 CO 0.04 1.75 0.00 0.61 -3.12 0.00 0.00 179.24 178.52 2doa n GLY 39 N 1.85 -0.98 3.57 2.75 0.00 0.34 -4.97 105.19 107.74 2doa n GLY 39 Ca -0.28 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 3.22 0.36 0.99 2.96 -1.12 -4.89 118.68 120.19 2doa s LEU 40 Ca 0.00 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.93 2doa s LEU 40 Cb 0.00 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.90 2doa s LEU 40 CO 0.00 0.31 0.01 0.28 -1.32 0.00 0.00 176.35 175.64 2doa s THR 41 N -0.50 1.64 0.52 3.68 -1.32 -1.26 -4.82 115.64 113.58 2doa s THR 41 Ca 0.08 -2.03 0.25 0.00 -1.21 0.00 0.00 61.69 58.78 2doa s THR 41 Cb -0.12 -2.83 0.41 0.00 -1.51 0.00 0.00 72.50 68.45 2doa s THR 41 CO 0.02 -0.05 1.97 1.56 -2.21 0.00 0.00 174.62 175.91 2doa h GLN 42 N 1.99 0.04 -0.14 7.08 1.08 -1.99 0.20 115.11 123.36 2doa h GLN 42 Ca -0.42 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.65 2doa h GLN 42 Cb 1.24 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.65 2doa h GLN 42 CO 0.74 0.02 -0.47 0.00 -0.95 0.00 0.00 178.83 178.18 2doa h ALA 43 N 1.70 0.95 0.02 3.87 0.00 -2.01 -2.99 119.26 120.79 2doa h ALA 43 Ca 0.29 -0.46 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 2doa h ALA 43 Cb 1.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2doa h ALA 43 CO -0.01 0.64 -1.12 -0.44 0.00 0.00 0.00 179.25 178.32 2doa h ASP 44 N 0.27 0.07 0.28 0.00 3.32 -1.09 -3.24 116.42 116.04 2doa h ASP 44 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2doa h ASP 44 Cb 0.93 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2doa h ASP 44 CO 0.08 1.06 -0.14 0.11 -1.72 0.00 0.00 179.24 178.63 2doa h LYS 45 N 0.01 -0.38 -0.37 3.56 1.57 -0.99 0.30 116.57 120.28 2doa h LYS 45 Ca -0.06 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2doa h LYS 45 Cb 1.83 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 34.21 2doa h LYS 45 CO 0.14 -0.25 0.24 -0.44 -0.57 0.00 0.00 179.45 178.57 2doa h ASP 46 N -0.39 0.38 1.03 0.86 3.32 -1.65 -1.24 116.42 118.73 2doa h ASP 46 Ca -0.04 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.85 2doa h ASP 46 Cb 0.31 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2doa h ASP 46 CO 0.05 0.27 -0.73 0.00 -1.72 0.00 0.00 179.24 177.12 2doa h ALA 47 N 1.78 0.62 -0.48 3.45 0.00 -1.47 -3.26 119.26 119.90 2doa h ALA 47 Ca 0.14 -0.67 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2doa h ALA 47 Cb 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2doa h ALA 47 CO -0.03 0.92 -0.15 1.25 0.00 0.00 0.00 179.25 181.23 2doa h LEU 48 N 0.00 0.96 -1.14 0.00 5.85 0.78 -0.31 115.31 121.44 2doa h LEU 48 Ca -0.01 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2doa h LEU 48 Cb 1.44 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2doa h LEU 48 CO 0.10 1.12 0.58 -0.78 -0.34 0.00 0.00 178.44 179.12 2doa h ASP 49 N 0.80 0.98 1.13 1.25 3.58 -1.49 0.41 116.42 123.08 2doa h ASP 49 Ca 0.12 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.38 2doa h ASP 49 Cb 0.72 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2doa h ASP 49 CO 0.05 0.70 -0.90 1.23 -2.88 0.00 0.00 179.24 177.44 2doa h GLY 50 N 1.15 0.00 1.09 -0.78 0.00 -1.58 -3.28 103.07 99.67 2doa h GLY 50 Ca 0.34 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.46 2doa h GLY 50 CO -0.09 0.00 -0.73 -2.00 0.00 0.00 0.00 176.54 173.73 2doa h LEU 51 N 0.00 0.86 -1.35 3.11 5.85 -0.46 -3.06 115.31 120.26 2doa h LEU 51 Ca -0.05 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.05 2doa h LEU 51 Cb 1.61 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 2doa h LEU 51 CO 0.09 1.36 0.46 -0.07 -0.34 0.00 0.00 178.44 179.94 2doa h LEU 52 N 0.41 0.74 -1.05 2.25 3.38 -1.04 0.58 115.31 120.58 2doa h LEU 52 Ca -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 2doa h LEU 52 Cb 1.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 2doa h LEU 52 CO 0.15 0.52 -0.17 1.56 0.09 0.00 0.00 178.44 180.59 2doa h GLN 53 N 0.87 0.00 0.00 1.13 4.20 -1.61 0.20 115.11 119.90 2doa h GLN 53 Ca 0.27 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.69 2doa h GLN 53 Cb 0.00 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 2doa h GLN 53 CO -0.07 0.17 -1.60 0.94 -0.67 0.00 0.00 178.83 177.61 2doa n GLN 54 N -3.30 0.57 -1.19 1.46 0.00 -0.27 -4.41 117.38 110.25 2doa n GLN 54 Ca 0.01 0.49 -0.21 0.00 -0.00 0.00 0.00 57.00 57.29 2doa n GLN 54 Cb 0.43 -1.68 0.16 0.00 0.00 0.00 0.00 30.24 29.14 2doa n GLN 54 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2doa n VAL 55 N -4.37 3.10 -3.82 1.69 0.24 0.19 -4.98 118.33 110.38 2doa n VAL 55 Ca -0.38 -2.44 0.03 0.00 -2.04 0.00 0.00 64.34 59.51 2doa n VAL 55 Cb 0.74 -0.60 0.01 0.00 -1.47 0.00 0.00 33.84 32.52 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 -3.41 -2.46 0.01 2.33 0.00 0.69 -4.55 121.76 114.37 2doa s ALA 56 Ca 0.55 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.91 2doa s ALA 56 Cb 0.46 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 2doa s ALA 56 CO 0.05 -1.11 -0.04 -0.80 0.00 0.00 0.00 175.76 173.86 2doa s ASN 57 N -3.47 0.50 0.04 0.00 0.01 0.36 -4.12 114.94 108.25 2doa s ASN 57 Ca 0.23 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.18 2doa s ASN 57 Cb 0.02 -0.02 -0.04 0.00 0.41 0.00 0.00 41.25 41.63 2doa s ASN 57 CO -0.03 -0.04 0.15 -0.32 -1.51 0.00 0.00 177.10 175.35 2doa s MET 58 N -0.52 3.22 0.22 -0.60 1.75 -1.26 -0.80 119.30 121.32 2doa s MET 58 Ca -0.03 -0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 53.80 2doa s MET 58 Cb -0.04 -2.93 -0.07 0.00 2.84 0.00 0.00 34.83 34.62 2doa s MET 58 CO -0.00 0.62 0.59 0.45 -0.65 0.00 0.00 175.02 176.03 2doa s SER 59 N -2.22 6.72 -0.59 1.11 0.15 -1.20 -4.95 113.70 112.71 2doa s SER 59 Ca 0.30 1.04 -0.01 0.00 0.70 0.00 0.00 55.95 57.97 2doa s SER 59 Cb -0.13 -2.27 0.42 0.00 -1.71 0.00 0.00 66.02 62.33 2doa s SER 59 CO 0.22 -0.05 2.02 0.00 1.20 0.00 0.00 173.24 176.64 2doa n ALA 60 N 0.10 6.08 0.00 5.45 0.00 -1.26 -3.73 120.51 127.15 2doa n ALA 60 Ca -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 53.44 50.32 2doa n ALA 60 Cb 0.52 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.71 0.00 -0.04 0.00 4.01 -1.26 -5.02 118.16 115.14 2doa n LYS 61 Ca 0.57 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 58.28 2doa n LYS 61 Cb 0.70 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 35.19 2doa n LYS 61 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2doa n ASP 62 N -2.52 1.37 0.00 4.39 2.03 -1.26 -5.08 116.55 115.48 2doa n ASP 62 Ca 0.00 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2doa n ASP 62 Cb 0.00 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 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 2.31 0.99 3.76 0.27 0.00 -1.24 -5.01 105.19 106.27 2doa n GLY 63 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.80 5.38 -0.52 2.61 2.01 -1.26 -3.62 115.64 118.44 2doa s THR 64 Ca 0.00 0.31 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 2doa s THR 64 Cb 0.00 -3.51 0.03 0.00 0.01 0.00 0.00 72.50 69.03 2doa s THR 64 CO 0.00 0.46 0.95 0.00 -0.69 0.00 0.00 174.62 175.34 2doa s THR 66 N 3.93 5.25 0.45 0.00 -4.23 0.02 -2.02 115.64 119.04 2doa s THR 66 Ca 0.34 -0.28 -0.16 0.00 -1.18 0.00 0.00 61.69 60.41 2doa s THR 66 Cb -0.11 -3.47 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 2doa s THR 66 CO 0.23 0.28 0.90 -0.22 -0.54 0.00 0.00 174.62 175.27 2doa s LEU 67 N -2.04 3.80 0.99 4.79 2.96 -1.26 -0.49 118.68 127.43 2doa s LEU 67 Ca 0.28 1.47 -0.16 0.00 -0.22 0.00 0.00 54.13 55.50 2doa s LEU 67 Cb -0.13 -4.36 0.22 0.00 0.50 0.00 0.00 46.19 42.42 2doa s LEU 67 CO 0.20 -0.44 1.34 -1.10 -1.32 0.00 0.00 176.35 175.03 2doa s GLN 68 N -3.66 0.41 -0.07 1.98 -0.21 -1.26 -4.89 119.66 111.96 2doa s GLN 68 Ca 0.58 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 55.48 2doa s GLN 68 Cb -0.10 -1.84 -0.24 0.00 1.00 0.00 0.00 33.01 31.83 2doa s GLN 68 CO 0.25 -2.55 0.56 -3.47 -2.12 0.00 0.00 175.29 167.96 2doa n ASP 69 N -3.83 1.24 0.07 5.90 -0.08 -1.26 -3.95 116.55 114.64 2doa n ASP 69 Ca 0.17 0.34 -0.10 0.00 -1.51 0.00 0.00 54.79 53.69 2doa n ASP 69 Cb 0.59 -0.28 -0.13 0.00 2.34 0.00 0.00 41.12 43.64 2doa n ASP 69 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2doa h MET 71 N 0.03 0.00 -0.35 0.00 2.86 -1.97 -2.30 114.93 113.20 2doa h MET 71 Ca -0.06 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.68 2doa h MET 71 Cb 1.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.49 2doa h MET 71 CO 0.16 0.14 0.25 1.88 1.06 0.00 0.00 176.91 180.40 2doa h TYR 72 N 0.00 0.03 -0.10 -0.22 0.05 -1.68 0.16 116.97 115.20 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 0.31 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 2doa h TYR 72 CO 0.00 0.01 -0.03 0.87 -1.05 0.00 0.00 178.16 177.97 2doa h LYS 73 N 0.03 0.14 -0.02 4.88 1.79 -1.61 -1.73 116.57 120.06 2doa h LYS 73 Ca 0.17 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 2doa h LYS 73 Cb 0.64 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2doa h LYS 73 CO -0.01 0.19 -0.61 -0.44 -1.08 0.00 0.00 179.45 177.50 2doa h ASP 74 N 0.14 0.07 -3.91 0.86 5.19 -1.13 -3.45 116.42 114.20 2doa h ASP 74 Ca 0.03 -0.04 -0.55 0.00 -0.62 0.00 0.00 57.03 55.85 2doa h ASP 74 Cb 0.15 -0.02 0.13 0.00 0.18 0.00 0.00 39.33 39.77 2doa h ASP 74 CO 0.01 0.66 0.64 0.52 -3.12 0.00 0.00 179.24 177.95 2doa n VAL 75 N -3.83 2.97 -3.34 -1.35 0.31 -0.65 -5.02 118.33 107.42 2doa n VAL 75 Ca -0.01 -0.50 -0.20 0.00 -0.01 0.00 0.00 64.34 63.61 2doa n VAL 75 Cb 0.61 -1.76 0.01 0.00 -0.91 0.00 0.00 33.84 31.79 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 -2.49 2.51 -0.28 5.55 1.11 -1.26 -5.04 119.66 119.75 2doa s GLN 76 Ca 0.63 -1.57 0.09 0.00 0.01 0.00 0.00 55.36 54.52 2doa s GLN 76 Cb -0.45 -2.50 0.47 0.00 -1.01 0.00 0.00 33.01 29.52 2doa s GLN 76 CO 0.56 -0.45 1.38 1.63 0.01 0.00 0.00 175.29 178.41 2doa n LYS 77 N -1.84 1.98 -1.40 2.91 5.02 -1.26 -4.55 118.16 119.01 2doa n LYS 77 Ca 0.07 -3.35 -0.03 0.00 -2.02 0.00 0.00 58.31 52.98 2doa n LYS 77 Cb 0.61 -1.82 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.07 -0.31 -4.67 4.39 -0.08 -1.26 -5.11 116.55 108.44 2doa n ASP 78 Ca 0.31 -2.02 -0.42 0.00 -1.51 0.00 0.00 54.79 51.15 2doa n ASP 78 Cb 0.91 0.11 -0.03 0.00 2.34 0.00 0.00 41.12 44.45 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 -0.18 2.06 0.60 -0.67 -0.11 -1.26 -4.87 118.94 114.51 2doa s TRP 79 Ca 0.13 0.17 0.29 0.00 1.22 0.00 0.00 56.10 57.91 2doa s TRP 79 Cb 0.18 -3.96 1.55 0.00 -1.50 0.00 0.00 33.47 29.74 2doa s TRP 79 CO -0.07 -4.02 1.96 -1.35 -4.62 0.00 0.00 176.95 168.86 2doa h PRO 80 N 9.22 0.00 -0.49 5.86 0.11 -1.93 -1.96 132.00 142.81 2doa h PRO 80 Ca -0.42 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.74 2doa h PRO 80 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 2doa h PRO 80 CO 0.94 0.00 0.24 0.78 -0.21 0.00 0.00 178.00 179.75 2doa h GLY 81 N 0.00 0.69 -0.90 -0.55 0.00 -1.89 -3.44 103.07 96.98 2doa h GLY 81 Ca 0.15 -0.16 -0.44 0.00 0.00 0.00 0.00 47.33 46.88 2doa h GLY 81 CO -0.00 0.10 0.15 -0.19 0.00 0.00 0.00 176.54 176.60 2doa s TYR 82 N -6.13 1.72 0.00 5.60 2.02 -0.74 -4.76 117.35 115.06 2doa s TYR 82 Ca -0.13 0.90 0.00 0.00 -0.37 0.00 0.00 57.07 57.48 2doa s TYR 82 Cb 0.14 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.42 2doa s TYR 82 CO 0.73 -3.24 0.00 0.43 -1.57 0.00 0.00 175.55 171.90 2doa n SER 83 N -4.40 0.00 0.18 2.29 7.64 -1.26 -4.98 113.62 113.08 2doa n SER 83 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2doa n SER 83 Cb 0.57 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 2doa n SER 83 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2doa n GLU 84 N -2.41 0.00 -0.08 1.43 2.13 -1.26 -4.86 120.64 115.58 2doa n GLU 84 Ca 0.00 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.83 2doa n GLU 84 Cb 0.00 0.00 0.32 0.00 0.27 0.00 0.00 31.44 32.03 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 0.76 1.79 8.31 0.00 -2.00 -2.18 103.07 109.75 2doa h GLY 85 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 47.33 46.76 2doa h GLY 85 CO 0.00 0.32 -1.14 -0.55 0.00 0.00 0.00 176.54 175.17 2doa h ASP 86 N 0.72 0.16 -0.11 0.19 3.32 -1.96 -3.07 116.42 115.67 2doa h ASP 86 Ca 0.18 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 2doa h ASP 86 Cb 0.04 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2doa h ASP 86 CO -0.03 1.14 0.06 1.56 -1.72 0.00 0.00 179.24 180.25 2doa h GLN 87 N 0.03 0.15 -0.62 3.56 4.20 -1.78 -0.48 115.11 120.17 2doa h GLN 87 Ca -0.08 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 2doa h GLN 87 Cb 1.86 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.59 2doa h GLN 87 CO 0.15 0.19 0.07 1.96 -0.67 0.00 0.00 178.83 180.54 2doa h GLN 88 N 0.07 1.02 0.17 1.46 4.20 -1.52 -2.13 115.11 118.38 2doa h GLN 88 Ca 0.04 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 2doa h GLN 88 Cb 0.08 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2doa h GLN 88 CO -0.01 0.96 -0.08 1.25 -0.67 0.00 0.00 178.83 180.28 2doa h LEU 89 N 0.95 -0.20 -1.92 1.46 5.85 -1.41 -2.64 115.31 117.41 2doa h LEU 89 Ca 0.19 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.83 2doa h LEU 89 Cb 0.45 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2doa h LEU 89 CO 0.02 -0.04 0.07 0.25 -0.34 0.00 0.00 178.44 178.40 2doa h LEU 90 N -0.35 0.09 -0.89 2.25 5.85 -1.03 -0.96 115.31 120.27 2doa h LEU 90 Ca -0.02 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2doa h LEU 90 Cb 0.27 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 2doa h LEU 90 CO 0.04 0.07 0.59 0.11 -0.34 0.00 0.00 178.44 178.91 2doa h LYS 91 N 0.11 1.18 0.03 1.25 1.57 -1.02 0.10 116.57 119.79 2doa h LYS 91 Ca 0.04 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 2doa h LYS 91 Cb 0.03 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 2doa h LYS 91 CO -0.01 0.78 -1.19 0.07 -0.57 0.00 0.00 179.45 178.54 2doa h ARG 92 N 1.21 0.06 -0.02 3.15 0.11 -1.20 -3.05 114.38 114.64 2doa h ARG 92 Ca 0.33 -0.09 -0.11 0.00 0.10 0.00 0.00 59.98 60.20 2doa h ARG 92 Cb -0.14 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 30.96 2doa h ARG 92 CO -0.07 0.96 -0.52 0.28 0.10 0.00 0.00 179.97 180.72 2doa h VAL 93 N 0.02 1.37 0.11 0.08 2.07 -0.82 -1.08 116.25 118.00 2doa h VAL 93 Ca -0.09 -1.77 -0.30 0.00 0.82 0.00 0.00 66.70 65.36 2doa h VAL 93 Cb 1.85 1.93 0.03 0.00 -1.52 0.00 0.00 31.29 33.59 2doa h VAL 93 CO 0.13 0.51 -1.23 -0.07 0.02 0.00 0.00 177.57 176.93 2doa h LEU 94 N 0.04 0.88 -0.29 2.57 3.38 -0.87 -2.99 115.31 118.03 2doa h LEU 94 Ca -0.00 -0.80 -0.17 0.00 0.09 0.00 0.00 57.88 57.00 2doa h LEU 94 Cb 0.93 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2doa h LEU 94 CO 0.07 1.60 -0.47 0.58 0.09 0.00 0.00 178.44 180.31 2doa h VAL 95 N 0.29 1.28 -0.29 1.22 2.07 -1.48 0.81 116.25 120.15 2doa h VAL 95 Ca -0.18 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 65.65 2doa h VAL 95 Cb 1.90 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 33.28 2doa h VAL 95 CO 0.24 0.54 0.04 0.03 0.02 0.00 0.00 177.57 178.44 2doa h ARG 96 N 0.60 0.42 0.00 1.57 -0.00 -1.29 -3.30 114.38 112.38 2doa h ARG 96 Ca 0.02 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.43 2doa h ARG 96 Cb 1.08 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 30.97 2doa h ARG 96 CO 0.11 0.42 -0.65 1.63 0.00 0.00 0.00 179.97 181.48 2doa n LYS 97 N -4.35 0.47 -1.94 0.04 4.76 -1.13 -4.62 118.16 111.39 2doa n LYS 97 Ca 0.01 0.46 -0.41 0.00 -2.87 0.00 0.00 58.31 55.50 2doa n LYS 97 Cb 0.19 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.73 2doa n LYS 97 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2doa n LEU 98 N -4.58 5.28 -4.72 -0.35 4.77 0.28 -4.90 117.00 112.78 2doa n LEU 98 Ca -0.09 -3.72 -0.31 0.00 -0.03 0.00 0.00 56.01 51.85 2doa n LEU 98 Cb 0.33 -1.60 -0.08 0.00 -2.33 0.00 0.00 43.42 39.74 2doa n LEU 98 CO 0.13 0.16 -0.25 -0.55 -1.33 0.00 0.00 177.39 175.56 2doa s SER 99 N 4.27 4.09 -0.54 -1.43 0.15 -1.24 -4.60 113.70 114.40 2doa s SER 99 Ca 0.54 -1.52 0.07 0.00 0.70 0.00 0.00 55.95 55.74 2doa s SER 99 Cb 0.09 0.18 0.24 0.00 -1.71 0.00 0.00 66.02 64.82 2doa s SER 99 CO 0.03 -0.72 0.63 0.61 1.20 0.00 0.00 173.24 174.98 2doa n GLY 100 N -1.20 3.91 0.15 9.45 0.00 -1.26 -4.72 105.19 111.52 2doa n GLY 100 Ca -0.13 -2.24 -0.13 0.00 0.00 0.00 0.00 46.02 43.52 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 4.27 0.41 0.00 1.61 0.13 -1.99 -3.47 132.00 132.96 2doa h PRO 101 Ca 0.15 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2doa h PRO 101 Cb 0.76 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2doa h PRO 101 CO 0.67 0.78 0.00 0.43 -0.23 0.00 0.00 178.00 179.64 2doa n SER 102 N -4.51 0.00 -0.07 1.44 7.64 -1.26 -5.03 113.62 111.83 2doa n SER 102 Ca -0.06 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.78 2doa n SER 102 Cb 0.38 0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2doa n SER 102 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2doa h SER 103 N 0.00 0.00 0.00 6.43 4.64 -1.96 -3.55 113.55 119.11 2doa h SER 103 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2doa h SER 103 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2doa h SER 103 CO 0.00 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.28