#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw1 n ASP 2 N 0.00 1.87 -0.41 1.61 5.75 -0.64 -4.99 116.55 119.74 1dw1 n ASP 2 Ca 0.00 -1.42 0.00 0.00 -0.01 0.00 0.00 54.79 53.36 1dw1 n ASP 2 Cb 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1dw1 n ASP 2 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1dw1 n THR 3 N -0.18 0.00 -3.99 2.12 5.66 -0.95 -4.95 114.28 111.99 1dw1 n THR 3 Ca 0.09 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.99 1dw1 n THR 3 Cb 0.45 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.16 1dw1 n THR 3 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dw1 s SER 4 N 0.47 0.03 0.17 1.09 1.04 -1.25 -4.52 113.70 110.73 1dw1 s SER 4 Ca 0.00 -0.93 -0.15 0.00 0.48 0.00 0.00 55.95 55.36 1dw1 s SER 4 Cb 0.00 0.45 0.10 0.00 0.10 0.00 0.00 66.02 66.68 1dw1 s SER 4 CO 0.00 -0.92 1.76 -0.65 0.98 0.00 0.00 173.24 174.41 1dw1 h PRO 5 N 2.51 0.36 -0.78 4.02 0.11 -1.81 -0.70 132.00 135.70 1dw1 h PRO 5 Ca -0.31 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1dw1 h PRO 5 Cb 1.23 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1dw1 h PRO 5 CO 0.47 0.24 0.30 0.00 -0.21 0.00 0.00 178.00 178.80 1dw1 h ALA 6 N 1.26 1.02 -0.59 -0.75 0.00 -1.96 -0.74 119.26 117.50 1dw1 h ALA 6 Ca 0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1dw1 h ALA 6 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1dw1 h ALA 6 CO -0.17 0.65 0.10 1.96 0.00 0.00 0.00 179.25 181.79 1dw1 h GLN 7 N 1.14 0.98 -0.14 0.00 4.20 -1.81 -0.81 115.11 118.68 1dw1 h GLN 7 Ca 0.26 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1dw1 h GLN 7 Cb 0.23 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1dw1 h GLN 7 CO -0.02 0.93 0.07 -0.07 -0.67 0.00 0.00 178.83 179.06 1dw1 h LEU 8 N 0.89 0.18 -0.19 1.46 3.38 -0.97 -1.92 115.31 118.14 1dw1 h LEU 8 Ca 0.18 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.06 1dw1 h LEU 8 Cb 0.42 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1dw1 h LEU 8 CO 0.01 0.25 0.03 0.40 0.09 0.00 0.00 178.44 179.22 1dw1 h ILE 9 N 0.10 0.90 -0.88 1.22 2.04 -1.02 -0.83 117.51 119.03 1dw1 h ILE 9 Ca 0.05 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.95 1dw1 h ILE 9 Cb 0.12 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1dw1 h ILE 9 CO -0.01 0.02 0.57 0.00 0.00 0.00 0.00 178.15 178.73 1dw1 h ALA 10 N 1.14 1.59 -0.30 1.87 0.00 -1.12 0.22 119.26 122.66 1dw1 h ALA 10 Ca 0.09 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1dw1 h ALA 10 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1dw1 h ALA 10 CO -0.12 0.25 -0.37 0.78 0.00 0.00 0.00 179.25 179.79 1dw1 h GLY 11 N 0.93 0.74 0.92 0.00 0.00 -0.85 -1.90 103.07 102.92 1dw1 h GLY 11 Ca 0.39 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.90 1dw1 h GLY 11 CO -0.16 0.66 -0.22 -0.97 0.00 0.00 0.00 176.54 175.85 1dw1 h TYR 12 N 0.57 0.74 -0.76 5.60 0.99 -0.27 -2.78 116.97 121.05 1dw1 h TYR 12 Ca 0.05 -0.21 0.10 0.00 2.00 0.00 0.00 58.73 60.68 1dw1 h TYR 12 Cb 0.90 -0.16 -0.05 0.00 1.00 0.00 0.00 36.73 38.41 1dw1 h TYR 12 CO 0.04 0.91 0.50 0.93 -0.00 0.00 0.00 178.16 180.54 1dw1 h GLU 13 N 0.35 0.64 -0.31 4.88 5.08 -0.50 0.11 114.58 124.82 1dw1 h GLU 13 Ca 0.05 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 1dw1 h GLU 13 Cb 0.76 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1dw1 h GLU 13 CO 0.06 0.42 -0.39 0.00 -1.00 0.00 0.00 179.01 178.09 1dw1 h ALA 14 N 1.62 0.72 -0.01 3.43 0.00 -1.13 0.14 119.26 124.03 1dw1 h ALA 14 Ca 0.35 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1dw1 h ALA 14 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1dw1 h ALA 14 CO -0.13 0.66 -0.64 0.00 0.00 0.00 0.00 179.25 179.15 1dw1 h ALA 15 N 0.95 0.93 0.00 0.00 0.00 -1.17 -3.13 119.26 116.84 1dw1 h ALA 15 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1dw1 h ALA 15 Cb 0.94 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1dw1 h ALA 15 CO 0.09 0.79 -0.56 0.00 0.00 0.00 0.00 179.25 179.57 1dw1 h ALA 16 N 1.34 0.74 -0.02 0.00 0.00 -0.35 -3.48 119.26 117.49 1dw1 h ALA 16 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1dw1 h ALA 16 Cb 1.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 1dw1 h ALA 16 CO 0.08 0.41 -0.01 0.41 0.00 0.00 0.00 179.25 180.15 1dw1 n GLY 17 N 1.21 0.44 3.41 0.00 0.00 0.45 -4.91 105.19 105.80 1dw1 n GLY 17 Ca 0.01 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1dw1 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw1 s ALA 18 N -2.01 -1.47 0.63 4.61 0.00 -1.11 -5.06 121.76 117.36 1dw1 s ALA 18 Ca 0.00 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.36 1dw1 s ALA 18 Cb 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 23.12 23.75 1dw1 s ALA 18 CO 0.00 -0.65 1.07 -1.25 0.00 0.00 0.00 175.76 174.93 1dw1 s PRO 19 N -3.16 3.09 0.61 0.00 0.05 -1.26 -4.56 135.00 129.77 1dw1 s PRO 19 Ca -0.02 1.20 -0.16 0.00 0.05 0.00 0.00 61.00 62.07 1dw1 s PRO 19 Cb -0.00 -2.00 -0.02 0.00 0.05 0.00 0.00 34.50 32.52 1dw1 s PRO 19 CO -0.08 -0.99 1.09 0.00 0.05 0.00 0.00 177.00 177.06 1dw1 s ALA 20 N -2.56 2.62 -0.23 8.56 0.00 -1.26 -4.96 121.76 123.94 1dw1 s ALA 20 Ca 0.63 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 53.08 1dw1 s ALA 20 Cb -0.17 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1dw1 s ALA 20 CO 0.42 -0.99 -0.01 0.34 0.00 0.00 0.00 175.76 175.51 1dw1 s ASP 21 N -2.60 3.57 0.51 0.00 -1.08 -1.26 -4.95 116.67 110.86 1dw1 s ASP 21 Ca 0.66 -1.10 0.28 0.00 -0.52 0.00 0.00 52.55 51.86 1dw1 s ASP 21 Cb -0.19 -0.98 1.34 0.00 -1.46 0.00 0.00 42.92 41.63 1dw1 s ASP 21 CO 0.38 -0.27 2.01 0.00 0.52 0.00 0.00 175.17 177.80 1dw1 h ALA 22 N 8.05 1.16 -0.40 3.66 0.00 -1.89 -1.59 119.26 128.26 1dw1 h ALA 22 Ca -0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1dw1 h ALA 22 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1dw1 h ALA 22 CO 0.39 0.17 0.02 1.49 0.00 0.00 0.00 179.25 181.32 1dw1 h GLU 23 N 0.00 0.68 -0.55 0.00 4.81 -1.95 0.13 114.58 117.71 1dw1 h GLU 23 Ca -0.00 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.92 1dw1 h GLU 23 Cb 0.46 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1dw1 h GLU 23 CO 0.02 0.76 -0.07 0.00 -0.73 0.00 0.00 179.01 178.99 1dw1 h ARG 24 N 0.52 1.00 -0.42 1.92 3.08 -1.77 -2.30 114.38 116.41 1dw1 h ARG 24 Ca 0.11 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.80 1dw1 h ARG 24 Cb 0.44 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1dw1 h ARG 24 CO 0.02 1.02 0.19 0.78 -1.07 0.00 0.00 179.97 180.91 1dw1 h GLY 25 N 0.97 0.65 0.85 0.04 0.00 -0.90 -1.37 103.07 103.30 1dw1 h GLY 25 Ca 0.15 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1dw1 h GLY 25 CO 0.04 0.31 0.17 -0.09 0.00 0.00 0.00 176.54 176.97 1dw1 h ARG 26 N 0.53 0.34 -0.69 4.80 2.43 -0.56 0.53 114.38 121.77 1dw1 h ARG 26 Ca 0.14 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1dw1 h ARG 26 Cb 0.13 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1dw1 h ARG 26 CO -0.02 0.23 0.43 0.00 -1.51 0.00 0.00 179.97 179.10 1dw1 h ALA 27 N 1.17 0.88 -0.34 2.80 0.00 -1.27 0.24 119.26 122.74 1dw1 h ALA 27 Ca 0.14 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1dw1 h ALA 27 Cb 0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1dw1 h ALA 27 CO -0.09 0.34 -0.02 1.25 0.00 0.00 0.00 179.25 180.72 1dw1 h LEU 28 N 0.94 0.62 -0.43 0.00 5.85 -0.88 -1.25 115.31 120.15 1dw1 h LEU 28 Ca 0.25 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1dw1 h LEU 28 Cb -0.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1dw1 h LEU 28 CO -0.05 0.79 0.25 0.15 -0.34 0.00 0.00 178.44 179.24 1dw1 h PHE 29 N 0.43 0.58 0.00 1.25 3.57 -0.49 -2.89 116.94 119.39 1dw1 h PHE 29 Ca 0.09 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1dw1 h PHE 29 Cb 0.49 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1dw1 h PHE 29 CO 0.04 0.43 0.00 1.28 -2.23 0.00 0.00 178.31 177.83 1dw1 n LEU 30 N -4.72 0.78 -4.72 0.59 4.77 0.04 -3.66 117.00 110.07 1dw1 n LEU 30 Ca 0.01 0.59 -0.34 0.00 -0.03 0.00 0.00 56.01 56.24 1dw1 n LEU 30 Cb 0.07 -0.35 0.09 0.00 -2.33 0.00 0.00 43.42 40.90 1dw1 n LEU 30 CO 0.36 -0.22 0.78 -0.94 -1.33 0.00 0.00 177.39 176.04 1dw1 s SER 31 N -4.46 4.18 -0.29 -1.43 1.04 -0.48 -4.93 113.70 107.32 1dw1 s SER 31 Ca 0.10 2.30 -0.14 0.00 0.48 0.00 0.00 55.95 58.69 1dw1 s SER 31 Cb 0.12 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.63 1dw1 s SER 31 CO 0.57 -2.27 0.33 -0.89 0.98 0.00 0.00 173.24 171.96 1dw1 s THR 32 N -2.08 5.20 -0.01 2.02 2.01 -1.26 -4.41 115.64 117.11 1dw1 s THR 32 Ca 0.73 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 1dw1 s THR 32 Cb -0.28 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 1dw1 s THR 32 CO 0.46 0.10 0.16 -1.10 -0.69 0.00 0.00 174.62 173.55 1dw1 s GLN 33 N 1.99 3.36 0.00 4.92 -1.52 0.12 -5.02 119.66 123.51 1dw1 s GLN 33 Ca 0.12 -0.35 0.16 0.00 -1.95 0.00 0.00 55.36 53.34 1dw1 s GLN 33 Cb -0.16 -3.05 -0.04 0.00 -0.22 0.00 0.00 33.01 29.53 1dw1 s GLN 33 CO 0.11 0.67 0.79 0.25 -0.25 0.00 0.00 175.29 176.86 1dw1 n THR 34 N 1.01 0.00 0.07 -0.19 -2.24 -1.26 -4.70 114.28 106.98 1dw1 n THR 34 Ca -0.11 -0.29 0.11 0.00 -2.27 0.00 0.00 64.05 61.49 1dw1 n THR 34 Cb 0.53 1.14 0.24 0.00 -2.10 0.00 0.00 70.33 70.14 1dw1 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw1 n GLY 35 N 1.19 1.98 0.00 3.38 0.00 -1.26 -4.97 105.19 105.51 1dw1 n GLY 35 Ca 0.06 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1dw1 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw1 n GLY 36 N 1.49 2.28 3.80 -0.02 0.00 -1.16 -3.97 105.19 107.62 1dw1 n GLY 36 Ca 0.20 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 1dw1 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw1 s LYS 37 N 4.55 4.42 0.39 1.61 3.01 0.18 -4.93 119.74 128.96 1dw1 s LYS 37 Ca 0.00 1.26 0.12 0.00 -1.01 0.00 0.00 55.97 56.33 1dw1 s LYS 37 Cb 0.00 -2.54 0.79 0.00 -1.01 0.00 0.00 37.83 35.08 1dw1 s LYS 37 CO 0.00 0.13 1.89 -1.00 0.51 0.00 0.00 175.35 176.87 1dw1 h PRO 38 N 2.62 0.08 -0.00 -1.68 0.13 -1.96 -2.60 132.00 128.59 1dw1 h PRO 38 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1dw1 h PRO 38 Cb 1.19 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1dw1 h PRO 38 CO 0.63 0.34 -0.01 -0.40 -0.23 0.00 0.00 178.00 178.33 1dw1 n ASP 39 N -4.20 0.38 -3.51 1.44 5.75 -1.26 -4.25 116.55 110.91 1dw1 n ASP 39 Ca -0.02 -1.01 -0.27 0.00 -0.01 0.00 0.00 54.79 53.48 1dw1 n ASP 39 Cb 0.33 -0.03 -0.10 0.00 -1.03 0.00 0.00 41.12 40.29 1dw1 n ASP 39 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dw1 n THR 40 N -0.75 -0.32 0.33 2.12 -2.24 -0.98 -4.96 114.28 107.48 1dw1 n THR 40 Ca 0.21 -3.91 0.15 0.00 -2.27 0.00 0.00 64.05 58.24 1dw1 n THR 40 Cb 0.19 -1.83 0.61 0.00 -2.10 0.00 0.00 70.33 67.20 1dw1 n THR 40 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dw1 h PRO 41 N 5.38 0.00 -3.40 -0.78 0.13 -1.74 -3.38 132.00 128.21 1dw1 h PRO 41 Ca 0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.31 1dw1 h PRO 41 Cb 0.86 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.88 1dw1 h PRO 41 CO 0.48 0.00 -0.04 0.45 -0.23 0.00 0.00 178.00 178.67 1dw1 s SER 42 N -5.11 -0.22 0.48 1.44 0.15 -1.26 0.16 113.70 109.34 1dw1 s SER 42 Ca 0.02 -0.49 0.13 0.00 0.70 0.00 0.00 55.95 56.32 1dw1 s SER 42 Cb 0.09 0.54 1.13 0.00 -1.71 0.00 0.00 66.02 66.07 1dw1 s SER 42 CO 0.49 -0.99 2.11 0.00 1.20 0.00 0.00 173.24 176.05 1dw1 h THR 44 N 0.20 0.00 -0.87 0.00 2.02 -1.77 -2.28 112.91 110.22 1dw1 h THR 44 Ca 0.07 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.07 1dw1 h THR 44 Cb 0.02 1.20 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1dw1 h THR 44 CO -0.01 0.00 0.57 0.74 0.37 0.00 0.00 175.52 177.18 1dw1 h THR 45 N 0.00 1.11 0.00 3.16 2.02 -1.65 0.92 112.91 118.47 1dw1 h THR 45 Ca 0.00 -0.36 -0.25 0.00 0.77 0.00 0.00 66.41 66.58 1dw1 h THR 45 Cb 0.22 -0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 66.57 1dw1 h THR 45 CO 0.00 0.19 -1.93 0.00 0.37 0.00 0.00 175.52 174.15 1dw1 n HIS 47 N -2.63 0.00 0.00 0.00 8.25 -0.87 0.76 115.22 120.73 1dw1 n HIS 47 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 1dw1 n HIS 47 Cb 0.91 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.91 1dw1 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw1 n GLY 48 N 1.47 -1.47 0.06 -1.41 0.00 0.31 -4.51 105.19 99.64 1dw1 n GLY 48 Ca 0.06 -1.56 0.12 0.00 0.00 0.00 0.00 46.02 44.64 1dw1 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw1 n ALA 49 N -1.70 3.00 -3.79 4.61 0.00 -1.26 -4.40 120.51 116.98 1dw1 n ALA 49 Ca 0.00 -0.30 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 1dw1 n ALA 49 Cb 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.22 1dw1 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dw1 s ASP 50 N -4.31 4.93 0.00 0.00 3.68 -1.26 -4.97 116.67 114.73 1dw1 s ASP 50 Ca 0.04 -1.64 0.21 0.00 2.13 0.00 0.00 52.55 53.29 1dw1 s ASP 50 Cb 0.13 -1.71 1.23 0.00 -1.45 0.00 0.00 42.92 41.12 1dw1 s ASP 50 CO 0.76 -0.35 1.71 1.33 0.13 0.00 0.00 175.17 178.75 1dw1 n VAL 51 N 4.53 0.00 1.25 1.11 0.24 -1.26 -1.92 118.33 122.28 1dw1 n VAL 51 Ca -0.07 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.36 1dw1 n VAL 51 Cb 0.42 -0.43 0.54 0.00 -1.47 0.00 0.00 33.84 32.90 1dw1 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw1 n THR 52 N -0.87 0.00 -4.11 3.34 -2.24 -1.26 -1.46 114.28 107.69 1dw1 n THR 52 Ca 0.15 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.67 1dw1 n THR 52 Cb 0.07 -0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 1dw1 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw1 s ARG 53 N -2.67 2.80 0.57 -0.78 1.81 -0.81 -4.83 118.95 115.04 1dw1 s ARG 53 Ca 0.23 -1.15 -0.19 0.00 -1.72 0.00 0.00 55.73 52.90 1dw1 s ARG 53 Cb 0.19 -2.48 -0.05 0.00 -0.45 0.00 0.00 34.95 32.16 1dw1 s ARG 53 CO 0.53 0.36 1.16 0.00 -0.68 0.00 0.00 175.30 176.66 1dw1 s ALA 54 N -2.19 2.62 0.00 2.13 0.00 -1.26 -4.16 121.76 118.91 1dw1 s ALA 54 Ca 0.34 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1dw1 s ALA 54 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1dw1 s ALA 54 CO 0.24 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1dw1 n GLY 55 N 0.27 5.24 3.52 0.00 0.00 0.41 -4.85 105.19 109.78 1dw1 n GLY 55 Ca 0.12 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.01 1dw1 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw1 s GLN 56 N 1.60 0.77 1.07 1.61 0.00 0.23 -1.48 119.66 123.46 1dw1 s GLN 56 Ca 0.00 -0.17 -0.17 0.00 -0.00 0.00 0.00 55.36 55.02 1dw1 s GLN 56 Cb 0.00 0.36 0.23 0.00 0.00 0.00 0.00 33.01 33.60 1dw1 s GLN 56 CO 0.00 -0.31 1.19 0.95 0.00 0.00 0.00 175.29 177.11 1dw1 s THR 57 N -2.56 1.81 0.52 3.63 -4.23 0.79 -4.31 115.64 111.29 1dw1 s THR 57 Ca 0.03 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 60.75 1dw1 s THR 57 Cb -0.01 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.41 1dw1 s THR 57 CO -0.06 0.00 2.15 0.03 -0.54 0.00 0.00 174.62 176.20 1dw1 h ARG 58 N -2.08 0.00 -0.16 3.99 3.08 -1.92 -1.20 114.38 116.09 1dw1 h ARG 58 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 1dw1 h ARG 58 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1dw1 h ARG 58 CO 0.40 0.05 0.00 0.25 -1.07 0.00 0.00 179.97 179.60 1dw1 n THR 59 N -4.16 0.20 -0.38 2.04 -2.24 -1.26 -4.94 114.28 103.53 1dw1 n THR 59 Ca -0.03 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1dw1 n THR 59 Cb 0.13 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1dw1 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw1 n GLY 60 N 1.22 0.79 3.75 3.38 0.00 -0.45 -5.06 105.19 108.81 1dw1 n GLY 60 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1dw1 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw1 s LYS 61 N -0.62 4.73 0.46 1.61 3.01 -1.26 -4.72 119.74 122.95 1dw1 s LYS 61 Ca 0.00 1.59 -0.25 0.00 -1.01 0.00 0.00 55.97 56.31 1dw1 s LYS 61 Cb 0.00 -3.28 -0.08 0.00 -1.01 0.00 0.00 37.83 33.47 1dw1 s LYS 61 CO 0.00 0.31 1.35 -2.00 0.51 0.00 0.00 175.35 175.52 1dw1 s GLU 62 N -0.87 3.67 -0.10 1.68 2.56 -1.26 -0.15 118.70 124.23 1dw1 s GLU 62 Ca 0.44 2.24 0.02 0.00 0.00 0.00 0.00 54.97 57.67 1dw1 s GLU 62 Cb -0.27 -2.58 0.01 0.00 2.00 0.00 0.00 34.13 33.29 1dw1 s GLU 62 CO 0.34 -0.77 -0.15 0.42 -0.56 0.00 0.00 175.26 174.54 1dw1 s ILE 63 N -1.27 1.49 0.59 -3.70 1.01 -0.55 -4.78 121.20 113.99 1dw1 s ILE 63 Ca 0.62 -0.65 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 1dw1 s ILE 63 Cb -0.40 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 1dw1 s ILE 63 CO 0.50 0.44 1.17 0.00 0.00 0.00 0.00 174.94 177.05 1dw1 n ALA 64 N 4.12 0.85 -1.55 9.38 0.00 -1.26 -0.45 120.51 131.60 1dw1 n ALA 64 Ca -0.19 0.05 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1dw1 n ALA 64 Cb 0.51 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.73 1dw1 n ALA 64 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1dw1 n PRO 65 N -1.19 1.03 0.17 0.00 -0.02 -1.26 -4.54 135.00 129.19 1dw1 n PRO 65 Ca 0.13 0.37 0.06 0.00 -2.02 0.00 0.00 63.50 62.04 1dw1 n PRO 65 Cb 0.46 -1.81 0.11 0.00 -0.02 0.00 0.00 33.50 32.25 1dw1 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw1 h LEU 66 N 1.30 0.00 -9.63 2.45 3.38 -1.65 -3.40 115.31 107.76 1dw1 h LEU 66 Ca -0.42 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.02 1dw1 h LEU 66 Cb 1.36 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.15 1dw1 h LEU 66 CO 0.55 0.35 0.80 0.00 0.09 0.00 0.00 178.44 180.23 1dw1 s ALA 67 N -3.10 3.68 0.47 1.53 0.00 -0.53 -4.89 121.76 118.92 1dw1 s ALA 67 Ca 0.04 1.29 0.18 0.00 0.00 0.00 0.00 51.96 53.47 1dw1 s ALA 67 Cb 0.07 -3.58 1.18 0.00 0.00 0.00 0.00 23.12 20.79 1dw1 s ALA 67 CO 0.71 -0.72 2.05 -1.35 0.00 0.00 0.00 175.76 176.46 1dw1 h PRO 68 N 6.25 0.00 0.00 0.00 0.11 -1.75 0.52 132.00 137.13 1dw1 h PRO 68 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1dw1 h PRO 68 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dw1 h PRO 68 CO 0.86 0.13 -0.03 0.66 -0.21 0.00 0.00 178.00 179.41 1dw1 h SER 69 N 0.00 0.00 0.00 -2.05 4.64 -1.91 -3.07 113.55 111.17 1dw1 h SER 69 Ca -0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1dw1 h SER 69 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 1dw1 h SER 69 CO 0.02 0.03 -1.94 0.00 -0.87 0.00 0.00 176.83 174.07 1dw1 n ALA 70 N -2.33 1.74 -3.71 5.18 0.00 -0.15 -4.84 120.51 116.39 1dw1 n ALA 70 Ca -0.03 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 1dw1 n ALA 70 Cb 0.11 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 1dw1 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dw1 s THR 71 N -2.41 1.06 0.42 0.00 2.01 -0.01 -4.95 115.64 111.77 1dw1 s THR 71 Ca -0.07 -1.94 0.16 0.00 0.31 0.00 0.00 61.69 60.15 1dw1 s THR 71 Cb 0.05 -1.77 0.36 0.00 0.01 0.00 0.00 72.50 71.15 1dw1 s THR 71 CO 0.58 -0.80 1.89 -0.65 -0.69 0.00 0.00 174.62 174.95 1dw1 h PRO 72 N 7.40 0.42 -0.58 4.92 0.11 -1.82 -2.59 132.00 139.87 1dw1 h PRO 72 Ca -0.06 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1dw1 h PRO 72 Cb 0.97 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1dw1 h PRO 72 CO 0.46 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.13 1dw1 n ASP 73 N -4.50 2.86 -4.76 -2.05 5.75 -1.26 -4.93 116.55 107.67 1dw1 n ASP 73 Ca 0.17 -2.24 -0.39 0.00 -0.01 0.00 0.00 54.79 52.31 1dw1 n ASP 73 Cb 0.60 -0.43 0.03 0.00 -1.03 0.00 0.00 41.12 40.29 1dw1 n ASP 73 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1dw1 n ARG 74 N 0.54 2.07 -3.01 0.11 5.12 -0.97 -2.99 116.66 117.53 1dw1 n ARG 74 Ca 0.15 0.75 -0.22 0.00 -1.93 0.00 0.00 57.85 56.59 1dw1 n ARG 74 Cb 0.55 -2.62 0.03 0.00 -1.16 0.00 0.00 32.46 29.26 1dw1 n ARG 74 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1dw1 n PHE 75 N -0.48 -1.94 0.19 -1.55 3.72 -1.26 -4.74 117.46 111.40 1dw1 n PHE 75 Ca 0.07 0.50 0.04 0.00 -0.05 0.00 0.00 57.45 58.02 1dw1 n PHE 75 Cb 0.42 -4.46 0.06 0.00 -0.94 0.00 0.00 39.48 34.57 1dw1 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw1 n THR 76 N -4.49 0.34 -3.88 4.37 -2.24 -1.16 -2.75 114.28 104.47 1dw1 n THR 76 Ca -0.12 -0.67 -0.30 0.00 -2.27 0.00 0.00 64.05 60.69 1dw1 n THR 76 Cb 0.62 0.95 -0.15 0.00 -2.10 0.00 0.00 70.33 69.65 1dw1 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw1 s ASP 77 N -0.81 3.90 0.21 3.42 -1.08 -1.26 -1.63 116.67 119.42 1dw1 s ASP 77 Ca 0.13 -1.37 -0.09 0.00 -0.52 0.00 0.00 52.55 50.70 1dw1 s ASP 77 Cb 0.08 -1.10 0.24 0.00 -1.46 0.00 0.00 42.92 40.68 1dw1 s ASP 77 CO 0.11 -0.30 1.82 0.28 0.52 0.00 0.00 175.17 177.60 1dw1 h SER 78 N 7.97 0.60 -0.76 -0.34 0.02 -1.92 -2.63 113.55 116.49 1dw1 h SER 78 Ca -0.15 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1dw1 h SER 78 Cb 1.06 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 1dw1 h SER 78 CO 0.43 0.39 0.45 0.00 -1.14 0.00 0.00 176.83 176.96 1dw1 h ALA 79 N 1.34 1.03 -0.56 3.77 0.00 -1.99 -2.15 119.26 120.70 1dw1 h ALA 79 Ca 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1dw1 h ALA 79 Cb 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1dw1 h ALA 79 CO -0.17 0.16 0.26 -0.09 0.00 0.00 0.00 179.25 179.42 1dw1 h ARG 80 N 0.83 0.82 -0.32 0.00 2.43 -1.91 -0.63 114.38 115.59 1dw1 h ARG 80 Ca 0.33 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1dw1 h ARG 80 Cb 0.17 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1dw1 h ARG 80 CO -0.17 0.68 0.11 0.28 -1.51 0.00 0.00 179.97 179.36 1dw1 h VAL 81 N 0.76 1.20 -0.26 0.20 2.07 -1.29 -2.24 116.25 116.68 1dw1 h VAL 81 Ca 0.19 -0.62 -0.13 0.00 0.82 0.00 0.00 66.70 66.96 1dw1 h VAL 81 Cb 0.14 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1dw1 h VAL 81 CO -0.02 0.21 -0.38 -0.33 0.02 0.00 0.00 177.57 177.07 1dw1 h GLU 82 N 0.37 0.61 0.19 1.57 4.39 -1.27 -1.78 114.58 118.66 1dw1 h GLU 82 Ca 0.11 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 1dw1 h GLU 82 Cb 0.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1dw1 h GLU 82 CO -0.01 0.89 -0.09 -0.22 -1.16 0.00 0.00 179.01 178.42 1dw1 h LYS 83 N 0.51 -0.25 -0.06 2.33 3.64 -1.00 -0.52 116.57 121.22 1dw1 h LYS 83 Ca 0.05 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1dw1 h LYS 83 Cb 0.89 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1dw1 h LYS 83 CO 0.08 -0.14 -0.11 -1.49 -2.27 0.00 0.00 179.45 175.53 1dw1 h TRP 84 N -0.30 0.23 -0.39 1.91 4.06 -1.34 -2.94 115.95 117.18 1dw1 h TRP 84 Ca -0.03 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 1dw1 h TRP 84 Cb 0.23 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 1dw1 h TRP 84 CO -0.05 0.69 0.20 -0.07 -3.56 0.00 0.00 178.44 175.65 1dw1 h LEU 85 N -0.30 0.48 -2.13 -4.49 3.38 -1.40 0.70 115.31 111.54 1dw1 h LEU 85 Ca 0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1dw1 h LEU 85 Cb 0.67 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 1dw1 h LEU 85 CO 0.02 0.40 -0.07 1.23 0.09 0.00 0.00 178.44 180.11 1dw1 h GLY 86 N 0.64 0.00 0.00 0.83 0.00 -1.03 -1.48 103.07 102.02 1dw1 h GLY 86 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.29 1dw1 h GLY 86 CO -0.02 0.00 -1.13 0.54 0.00 0.00 0.00 176.54 175.93 1dw1 n ARG 87 N -3.64 0.54 0.15 4.80 1.74 0.06 -4.62 116.66 115.68 1dw1 n ARG 87 Ca -0.02 0.55 0.10 0.00 -0.77 0.00 0.00 57.85 57.71 1dw1 n ARG 87 Cb 0.18 -1.72 0.06 0.00 -1.02 0.00 0.00 32.46 29.96 1dw1 n ARG 87 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1dw1 h ASN 88 N -1.00 0.00 -0.30 0.55 2.35 -1.02 -3.05 115.58 113.10 1dw1 h ASN 88 Ca -0.28 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1dw1 h ASN 88 Cb 1.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 1dw1 h ASN 88 CO -0.17 0.11 0.15 0.00 -1.65 0.00 0.00 177.43 175.87 1dw1 h ASN 90 N 0.36 1.00 -0.21 0.00 -0.73 -1.56 0.63 115.58 115.07 1dw1 h ASN 90 Ca 0.10 -0.05 -0.12 0.00 1.87 0.00 0.00 56.30 58.11 1dw1 h ASN 90 Cb 0.10 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.42 1dw1 h ASN 90 CO -0.01 0.75 -0.27 0.28 -0.37 0.00 0.00 177.43 177.81 1dw1 h SER 91 N 1.15 0.70 0.02 1.15 0.02 -1.39 -0.62 113.55 114.58 1dw1 h SER 91 Ca 0.30 -0.26 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1dw1 h SER 91 Cb -0.08 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.27 1dw1 h SER 91 CO -0.06 0.94 -0.01 0.58 -1.14 0.00 0.00 176.83 177.14 1dw1 h VAL 92 N 0.59 0.63 0.01 2.27 2.07 -0.73 0.50 116.25 121.59 1dw1 h VAL 92 Ca 0.08 -1.43 -0.32 0.00 0.82 0.00 0.00 66.70 65.85 1dw1 h VAL 92 Cb 0.76 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1dw1 h VAL 92 CO 0.06 0.21 -1.90 -0.38 0.02 0.00 0.00 177.57 175.58 1dw1 n ILE 93 N -4.74 1.58 0.00 4.57 5.41 0.19 -2.97 119.36 123.40 1dw1 n ILE 93 Ca -0.04 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.92 1dw1 n ILE 93 Cb 0.17 -0.99 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 1dw1 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dw1 n GLY 94 N 1.65 0.76 3.81 7.39 0.00 -0.24 -3.84 105.19 114.73 1dw1 n GLY 94 Ca -0.22 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 1dw1 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw1 s ARG 95 N -0.50 1.70 0.71 1.61 1.70 -1.25 -4.92 118.95 117.99 1dw1 s ARG 95 Ca 0.00 -0.92 -0.15 0.00 -0.47 0.00 0.00 55.73 54.19 1dw1 s ARG 95 Cb 0.00 0.59 0.03 0.00 -0.57 0.00 0.00 34.95 35.00 1dw1 s ARG 95 CO 0.00 -0.78 1.19 -0.51 -1.08 0.00 0.00 175.30 174.12 1dw1 s ASP 96 N -2.91 4.41 0.28 -2.89 1.01 -1.26 -2.81 116.67 112.50 1dw1 s ASP 96 Ca 0.10 2.29 -0.29 0.00 0.71 0.00 0.00 52.55 55.37 1dw1 s ASP 96 Cb -0.05 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 41.20 1dw1 s ASP 96 CO 0.05 -2.11 1.08 0.00 0.21 0.00 0.00 175.17 174.39 1dw1 s THR 98 N -1.19 3.01 0.33 0.00 -4.23 -1.26 -4.80 115.64 107.49 1dw1 s THR 98 Ca 0.45 0.33 0.04 0.00 -1.18 0.00 0.00 61.69 61.33 1dw1 s THR 98 Cb -0.31 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.69 1dw1 s THR 98 CO 0.39 -0.43 1.90 -0.65 -0.54 0.00 0.00 174.62 175.30 1dw1 h PRO 99 N -1.04 0.85 -0.59 3.99 0.11 -1.93 0.03 132.00 133.43 1dw1 h PRO 99 Ca -0.47 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1dw1 h PRO 99 Cb 1.27 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1dw1 h PRO 99 CO 0.61 0.56 0.04 0.78 -0.21 0.00 0.00 178.00 179.78 1dw1 h GLY 100 N 0.87 1.06 1.19 -0.55 0.00 -1.91 -0.97 103.07 102.76 1dw1 h GLY 100 Ca 0.40 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 1dw1 h GLY 100 CO -0.17 0.67 -0.36 0.83 0.00 0.00 0.00 176.54 177.51 1dw1 h GLU 101 N 0.92 0.89 -0.57 4.80 5.08 -1.72 -0.63 114.58 123.35 1dw1 h GLU 101 Ca 0.18 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1dw1 h GLU 101 Cb 0.48 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1dw1 h GLU 101 CO 0.02 1.10 0.32 0.87 -1.00 0.00 0.00 179.01 180.32 1dw1 h LYS 102 N 0.74 0.78 -0.38 2.33 1.57 -0.75 0.13 116.57 120.99 1dw1 h LYS 102 Ca 0.07 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1dw1 h LYS 102 Cb 0.94 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1dw1 h LYS 102 CO 0.09 0.59 0.22 0.00 -0.57 0.00 0.00 179.45 179.78 1dw1 h ALA 103 N 1.15 0.49 -0.22 3.86 0.00 -0.97 -1.40 119.26 122.17 1dw1 h ALA 103 Ca 0.20 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1dw1 h ALA 103 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1dw1 h ALA 103 CO -0.03 -0.00 0.07 -0.44 0.00 0.00 0.00 179.25 178.85 1dw1 h ASP 104 N 0.49 0.08 -0.22 0.00 3.45 -0.78 0.52 116.42 119.96 1dw1 h ASP 104 Ca 0.13 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 1dw1 h ASP 104 Cb 0.04 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1dw1 h ASP 104 CO -0.02 0.08 0.14 -0.07 -1.57 0.00 0.00 179.24 177.79 1dw1 h LEU 105 N 0.18 0.26 -0.69 1.55 3.38 -0.67 -2.46 115.31 116.86 1dw1 h LEU 105 Ca 0.10 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1dw1 h LEU 105 Cb 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1dw1 h LEU 105 CO -0.10 0.22 -0.12 -0.07 0.09 0.00 0.00 178.44 178.46 1dw1 h LEU 106 N 0.28 0.89 -1.04 1.67 3.38 -1.17 -0.76 115.31 118.56 1dw1 h LEU 106 Ca 0.08 -0.28 0.10 0.00 0.09 0.00 0.00 57.88 57.86 1dw1 h LEU 106 Cb 0.00 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 1dw1 h LEU 106 CO -0.02 1.02 0.63 0.00 0.09 0.00 0.00 178.44 180.17 1dw1 h ALA 107 N 1.06 1.49 -0.03 1.53 0.00 -0.71 0.26 119.26 122.85 1dw1 h ALA 107 Ca 0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1dw1 h ALA 107 Cb 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dw1 h ALA 107 CO 0.04 0.31 -0.19 2.35 0.00 0.00 0.00 179.25 181.76 1dw1 h TRP 108 N 1.05 0.26 -0.54 0.00 7.01 -1.08 -3.28 115.95 119.36 1dw1 h TRP 108 Ca 0.46 -0.12 -0.03 0.00 2.11 0.00 0.00 58.89 61.32 1dw1 h TRP 108 Cb 0.35 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.35 1dw1 h TRP 108 CO -0.00 0.83 0.22 -0.07 -2.79 0.00 0.00 178.44 176.63 1dw1 h LEU 109 N -0.39 0.71 -1.02 0.65 3.38 -0.90 -2.35 115.31 115.38 1dw1 h LEU 109 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1dw1 h LEU 109 Cb 0.86 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1dw1 h LEU 109 CO 0.04 0.64 0.00 0.00 0.09 0.00 0.00 178.44 179.21 1dw1 h ALA 110 N 1.47 1.00 -0.01 1.53 0.00 -0.59 -2.11 119.26 120.54 1dw1 h ALA 110 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1dw1 h ALA 110 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dw1 h ALA 110 CO -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.22 1dw1 n ALA 111 N -1.94 2.60 1.72 0.00 0.00 -0.89 -4.73 120.51 117.27 1dw1 n ALA 111 Ca 0.02 -0.45 0.15 0.00 0.00 0.00 0.00 53.44 53.16 1dw1 n ALA 111 Cb 0.29 -1.15 0.71 0.00 0.00 0.00 0.00 19.45 19.29 1dw1 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54