#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw2 n ASP 2 N 0.00 0.74 -0.41 1.61 5.75 -0.97 -4.99 116.55 118.28 1dw2 n ASP 2 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1dw2 n ASP 2 Cb 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.12 1dw2 n ASP 2 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1dw2 n THR 3 N -0.83 0.00 -3.94 2.12 5.66 -0.77 -4.95 114.28 111.57 1dw2 n THR 3 Ca 0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.04 1dw2 n THR 3 Cb 0.32 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.02 1dw2 n THR 3 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dw2 s SER 4 N 0.43 0.10 0.20 1.09 1.04 -1.26 -4.52 113.70 110.78 1dw2 s SER 4 Ca 0.00 -0.82 -0.11 0.00 0.48 0.00 0.00 55.95 55.50 1dw2 s SER 4 Cb 0.00 0.39 0.15 0.00 0.10 0.00 0.00 66.02 66.65 1dw2 s SER 4 CO 0.00 -0.82 1.86 -0.65 0.98 0.00 0.00 173.24 174.61 1dw2 h PRO 5 N 2.65 0.87 -0.89 4.02 0.11 -1.83 -1.59 132.00 135.35 1dw2 h PRO 5 Ca -0.33 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.72 1dw2 h PRO 5 Cb 1.21 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1dw2 h PRO 5 CO 0.52 0.58 0.52 0.00 -0.21 0.00 0.00 178.00 179.41 1dw2 h ALA 6 N 1.27 1.25 -0.51 -0.75 0.00 -1.96 -0.96 119.26 117.59 1dw2 h ALA 6 Ca 0.26 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1dw2 h ALA 6 Cb -0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1dw2 h ALA 6 CO -0.07 0.64 -0.17 1.96 0.00 0.00 0.00 179.25 181.60 1dw2 h GLN 7 N 1.23 1.02 -0.16 0.00 4.20 -1.78 -0.11 115.11 119.52 1dw2 h GLN 7 Ca 0.32 -0.41 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1dw2 h GLN 7 Cb -0.03 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 1dw2 h GLN 7 CO -0.06 1.10 0.05 -0.07 -0.67 0.00 0.00 178.83 179.19 1dw2 h LEU 8 N 0.89 0.23 -0.61 1.46 3.38 -1.11 -1.67 115.31 117.88 1dw2 h LEU 8 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1dw2 h LEU 8 Cb 0.75 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1dw2 h LEU 8 CO 0.06 0.36 0.39 0.40 0.09 0.00 0.00 178.44 179.74 1dw2 h ILE 9 N 0.08 1.17 -0.22 1.22 2.04 -1.01 -1.43 117.51 119.36 1dw2 h ILE 9 Ca 0.05 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.48 1dw2 h ILE 9 Cb 0.21 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1dw2 h ILE 9 CO -0.00 0.17 -0.26 0.00 0.00 0.00 0.00 178.15 178.06 1dw2 h ALA 10 N 1.21 1.14 0.00 1.87 0.00 -0.96 0.26 119.26 122.78 1dw2 h ALA 10 Ca 0.22 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1dw2 h ALA 10 Cb -0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1dw2 h ALA 10 CO -0.04 0.54 -0.56 0.78 0.00 0.00 0.00 179.25 179.97 1dw2 h GLY 11 N 1.02 0.00 1.31 0.00 0.00 -0.67 -2.42 103.07 102.31 1dw2 h GLY 11 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.17 1dw2 h GLY 11 CO 0.05 0.00 -0.78 -0.97 0.00 0.00 0.00 176.54 174.84 1dw2 h TYR 12 N 0.00 0.91 -0.94 5.60 0.99 -0.37 -2.93 116.97 120.23 1dw2 h TYR 12 Ca -0.01 -0.41 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1dw2 h TYR 12 Cb 1.00 -0.14 -0.05 0.00 1.00 0.00 0.00 36.73 38.55 1dw2 h TYR 12 CO 0.00 1.22 0.59 0.93 -0.00 0.00 0.00 178.16 180.90 1dw2 h GLU 13 N 0.45 1.26 -0.33 4.88 5.08 -0.86 -1.05 114.58 124.02 1dw2 h GLU 13 Ca -0.05 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.08 1dw2 h GLU 13 Cb 1.40 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1dw2 h GLU 13 CO 0.15 0.86 -0.33 0.00 -1.00 0.00 0.00 179.01 178.70 1dw2 h ALA 14 N 1.36 0.81 0.00 3.43 0.00 -1.37 0.16 119.26 123.66 1dw2 h ALA 14 Ca 0.34 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1dw2 h ALA 14 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1dw2 h ALA 14 CO -0.07 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.63 1dw2 h ALA 15 N 1.03 1.00 0.00 0.00 0.00 -1.32 -3.16 119.26 116.80 1dw2 h ALA 15 Ca 0.07 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1dw2 h ALA 15 Cb 0.85 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1dw2 h ALA 15 CO 0.07 0.24 -1.19 0.00 0.00 0.00 0.00 179.25 178.38 1dw2 h ALA 16 N 1.81 0.65 0.00 0.00 0.00 -0.76 -3.48 119.26 117.48 1dw2 h ALA 16 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1dw2 h ALA 16 Cb 0.75 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1dw2 h ALA 16 CO 0.02 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1dw2 n GLY 17 N 1.34 0.50 3.47 0.00 0.00 0.54 -4.91 105.19 106.14 1dw2 n GLY 17 Ca -0.06 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 1dw2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw2 s ALA 18 N -2.00 -1.56 0.68 4.61 0.00 -1.00 -5.05 121.76 117.43 1dw2 s ALA 18 Ca 0.00 1.16 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 1dw2 s ALA 18 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1dw2 s ALA 18 CO 0.00 -0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.27 1dw2 s PRO 19 N -1.10 2.72 0.56 0.00 0.04 -1.26 -4.53 135.00 131.41 1dw2 s PRO 19 Ca -0.11 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1dw2 s PRO 19 Cb -0.01 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1dw2 s PRO 19 CO 0.08 -1.31 1.04 0.00 0.04 0.00 0.00 177.00 176.86 1dw2 s ALA 20 N -2.49 2.82 -0.24 8.56 0.00 -1.26 -4.97 121.76 124.18 1dw2 s ALA 20 Ca 0.65 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1dw2 s ALA 20 Cb -0.19 -3.22 0.07 0.00 0.00 0.00 0.00 23.12 19.78 1dw2 s ALA 20 CO 0.45 -0.61 0.04 0.34 0.00 0.00 0.00 175.76 175.98 1dw2 s ASP 21 N -2.63 3.46 0.43 0.00 -1.08 -1.26 -4.97 116.67 110.63 1dw2 s ASP 21 Ca 0.64 -1.17 0.19 0.00 -0.52 0.00 0.00 52.55 51.69 1dw2 s ASP 21 Cb -0.15 -0.79 0.97 0.00 -1.46 0.00 0.00 42.92 41.49 1dw2 s ASP 21 CO 0.32 -0.33 1.90 0.00 0.52 0.00 0.00 175.17 177.58 1dw2 h ALA 22 N 8.14 1.32 -0.29 3.66 0.00 -1.90 -0.63 119.26 129.56 1dw2 h ALA 22 Ca -0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1dw2 h ALA 22 Cb 1.07 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1dw2 h ALA 22 CO 0.40 0.34 -0.17 1.49 0.00 0.00 0.00 179.25 181.30 1dw2 h GLU 23 N 0.00 0.63 -0.64 0.00 4.81 -1.96 0.87 114.58 118.29 1dw2 h GLU 23 Ca -0.00 -0.29 -0.08 0.00 -0.13 0.00 0.00 59.36 58.86 1dw2 h GLU 23 Cb 0.56 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1dw2 h GLU 23 CO 0.04 0.87 0.09 -0.09 -0.73 0.00 0.00 179.01 179.19 1dw2 h ARG 24 N 0.37 1.05 -0.42 1.92 2.43 -1.79 -2.19 114.38 115.75 1dw2 h ARG 24 Ca 0.06 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 1dw2 h ARG 24 Cb 0.70 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1dw2 h ARG 24 CO 0.05 0.97 0.12 0.78 -1.51 0.00 0.00 179.97 180.38 1dw2 h GLY 25 N 1.04 0.70 0.68 2.80 0.00 -0.75 -2.16 103.07 105.38 1dw2 h GLY 25 Ca 0.19 -0.42 0.05 0.00 0.00 0.00 0.00 47.33 47.15 1dw2 h GLY 25 CO 0.01 0.40 0.21 -0.09 0.00 0.00 0.00 176.54 177.07 1dw2 h ARG 26 N 0.53 0.40 -0.38 4.80 2.43 -0.63 -1.30 114.38 120.23 1dw2 h ARG 26 Ca 0.13 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.15 1dw2 h ARG 26 Cb 0.28 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1dw2 h ARG 26 CO -0.00 0.26 -0.27 0.00 -1.51 0.00 0.00 179.97 178.45 1dw2 h ALA 27 N 1.27 0.81 -0.23 2.80 0.00 -1.27 -1.23 119.26 121.41 1dw2 h ALA 27 Ca 0.21 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1dw2 h ALA 27 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1dw2 h ALA 27 CO -0.17 0.65 0.04 1.25 0.00 0.00 0.00 179.25 181.01 1dw2 h LEU 28 N 0.68 0.37 -0.56 0.00 5.85 -1.10 0.53 115.31 121.08 1dw2 h LEU 28 Ca 0.08 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1dw2 h LEU 28 Cb 0.80 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1dw2 h LEU 28 CO 0.07 0.54 0.37 0.15 -0.34 0.00 0.00 178.44 179.22 1dw2 h PHE 29 N 0.19 0.71 0.00 1.25 3.57 -1.06 -2.70 116.94 118.90 1dw2 h PHE 29 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1dw2 h PHE 29 Cb 0.32 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1dw2 h PHE 29 CO 0.02 0.45 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.39 1dw2 h LEU 30 N 0.76 0.00-10.27 0.59 3.38 -1.13 -3.30 115.31 105.34 1dw2 h LEU 30 Ca 0.21 -0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.66 1dw2 h LEU 30 Cb -0.08 0.00 0.19 0.00 0.09 0.00 0.00 40.66 40.86 1dw2 h LEU 30 CO -0.04 0.00 0.22 -0.94 0.09 0.00 0.00 178.44 177.77 1dw2 s SER 31 N -5.98 2.98 -0.26 -0.43 1.04 0.17 -4.91 113.70 106.31 1dw2 s SER 31 Ca 0.07 2.11 -0.09 0.00 0.48 0.00 0.00 55.95 58.52 1dw2 s SER 31 Cb 0.06 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 1dw2 s SER 31 CO 0.67 -3.05 0.12 -0.89 0.98 0.00 0.00 173.24 171.08 1dw2 s THR 32 N -2.67 4.73 -0.00 2.02 2.01 -1.26 -4.52 115.64 115.95 1dw2 s THR 32 Ca 0.66 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.64 1dw2 s THR 32 Cb -0.22 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 1dw2 s THR 32 CO 0.58 0.29 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.67 1dw2 s GLN 33 N 1.67 2.67 0.00 4.92 -1.52 0.52 -5.03 119.66 122.89 1dw2 s GLN 33 Ca 0.07 -0.66 0.15 0.00 -1.95 0.00 0.00 55.36 52.97 1dw2 s GLN 33 Cb -0.16 -2.58 0.42 0.00 -0.22 0.00 0.00 33.01 30.47 1dw2 s GLN 33 CO 0.07 0.62 1.34 0.25 -0.25 0.00 0.00 175.29 177.31 1dw2 n THR 34 N 1.52 0.93 -0.52 -0.19 -2.24 -1.26 -4.69 114.28 107.83 1dw2 n THR 34 Ca -0.15 -0.97 0.06 0.00 -2.27 0.00 0.00 64.05 60.73 1dw2 n THR 34 Cb 0.53 0.56 0.17 0.00 -2.10 0.00 0.00 70.33 69.48 1dw2 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw2 n GLY 35 N 0.95 3.45 0.00 3.38 0.00 -1.26 -5.00 105.19 106.71 1dw2 n GLY 35 Ca 0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1dw2 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw2 n GLY 36 N -0.17 1.86 3.76 -0.02 0.00 -1.18 -3.90 105.19 105.53 1dw2 n GLY 36 Ca 0.14 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 1dw2 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw2 s LYS 37 N 4.39 4.70 0.44 1.61 3.01 0.11 -4.94 119.74 129.08 1dw2 s LYS 37 Ca 0.00 1.69 0.10 0.00 -1.01 0.00 0.00 55.97 56.75 1dw2 s LYS 37 Cb 0.00 -3.20 0.98 0.00 -1.01 0.00 0.00 37.83 34.60 1dw2 s LYS 37 CO 0.00 0.31 2.07 -1.00 0.51 0.00 0.00 175.35 177.24 1dw2 h PRO 38 N 3.89 0.34 -0.01 -1.68 0.13 -1.96 -2.68 132.00 130.03 1dw2 h PRO 38 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dw2 h PRO 38 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1dw2 h PRO 38 CO 0.67 0.25 -0.01 -0.40 -0.23 0.00 0.00 178.00 178.28 1dw2 n ASP 39 N -4.47 0.66 -3.53 1.44 5.75 -1.26 -4.23 116.55 110.91 1dw2 n ASP 39 Ca 0.01 -1.17 -0.27 0.00 -0.01 0.00 0.00 54.79 53.34 1dw2 n ASP 39 Cb 0.09 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.07 1dw2 n ASP 39 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dw2 n THR 40 N -0.51 0.02 0.32 2.12 -2.24 -1.01 -4.96 114.28 108.02 1dw2 n THR 40 Ca 0.21 -4.09 0.16 0.00 -2.27 0.00 0.00 64.05 58.06 1dw2 n THR 40 Cb 0.23 -1.89 0.62 0.00 -2.10 0.00 0.00 70.33 67.19 1dw2 n THR 40 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dw2 h PRO 41 N 5.24 0.00 -3.48 -0.78 0.13 -1.74 -3.36 132.00 128.02 1dw2 h PRO 41 Ca 0.20 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1dw2 h PRO 41 Cb 0.84 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.84 1dw2 h PRO 41 CO 0.53 0.00 -0.13 0.45 -0.23 0.00 0.00 178.00 178.62 1dw2 s SER 42 N -5.28 -0.16 0.31 1.44 0.15 -1.26 -0.36 113.70 108.55 1dw2 s SER 42 Ca 0.02 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1dw2 s SER 42 Cb 0.09 0.45 0.56 0.00 -1.71 0.00 0.00 66.02 65.41 1dw2 s SER 42 CO 0.50 -0.84 1.94 0.00 1.20 0.00 0.00 173.24 176.04 1dw2 h THR 44 N 0.99 0.11 -0.93 0.00 2.02 -1.77 -2.16 112.91 111.17 1dw2 h THR 44 Ca 0.35 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.65 1dw2 h THR 44 Cb 0.13 0.89 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 1dw2 h THR 44 CO -0.12 0.00 0.56 0.74 0.37 0.00 0.00 175.52 177.07 1dw2 h THR 45 N 0.00 0.88 0.00 3.16 2.02 -1.55 0.24 112.91 117.66 1dw2 h THR 45 Ca 0.01 -0.30 -0.29 0.00 0.77 0.00 0.00 66.41 66.60 1dw2 h THR 45 Cb 0.25 -0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 66.54 1dw2 h THR 45 CO -0.00 0.16 -2.09 0.00 0.37 0.00 0.00 175.52 173.96 1dw2 n HIS 47 N -2.64 0.00 -0.15 0.00 8.25 -0.84 0.73 115.22 120.57 1dw2 n HIS 47 Ca -0.27 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.21 1dw2 n HIS 47 Cb 1.00 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.10 1dw2 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw2 n GLY 48 N 1.44 -1.83 0.02 -1.41 0.00 0.83 -4.52 105.19 99.72 1dw2 n GLY 48 Ca 0.08 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.75 1dw2 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw2 n ALA 49 N -2.18 3.32 -4.04 4.61 0.00 -1.26 -4.39 120.51 116.57 1dw2 n ALA 49 Ca -0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1dw2 n ALA 49 Cb 0.07 -1.12 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 1dw2 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dw2 s ASP 50 N -3.51 4.49 0.00 0.00 3.68 -1.26 -4.98 116.67 115.09 1dw2 s ASP 50 Ca 0.09 -1.63 0.31 0.00 2.13 0.00 0.00 52.55 53.44 1dw2 s ASP 50 Cb 0.16 -1.53 1.59 0.00 -1.45 0.00 0.00 42.92 41.69 1dw2 s ASP 50 CO 0.72 -0.26 2.07 1.33 0.13 0.00 0.00 175.17 179.15 1dw2 n VAL 51 N 4.40 0.00 1.76 1.11 0.24 -1.26 -2.34 118.33 122.24 1dw2 n VAL 51 Ca -0.08 -0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.34 1dw2 n VAL 51 Cb 0.42 -0.34 0.84 0.00 -1.47 0.00 0.00 33.84 33.28 1dw2 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw2 n THR 52 N -0.99 0.00 -3.99 3.34 -2.24 -1.26 -1.72 114.28 107.43 1dw2 n THR 52 Ca 0.19 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.72 1dw2 n THR 52 Cb 0.20 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1dw2 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw2 s ARG 53 N -2.18 2.57 0.62 -0.78 1.81 -0.99 -4.86 118.95 115.14 1dw2 s ARG 53 Ca 0.41 -1.39 -0.17 0.00 -1.72 0.00 0.00 55.73 52.86 1dw2 s ARG 53 Cb 0.21 -2.34 -0.02 0.00 -0.45 0.00 0.00 34.95 32.35 1dw2 s ARG 53 CO 0.40 0.14 1.14 0.00 -0.68 0.00 0.00 175.30 176.31 1dw2 s ALA 54 N -2.34 2.51 0.03 2.13 0.00 -1.26 -4.20 121.76 118.63 1dw2 s ALA 54 Ca 0.38 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1dw2 s ALA 54 Cb -0.05 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1dw2 s ALA 54 CO 0.24 -1.17 0.01 0.41 0.00 0.00 0.00 175.76 175.26 1dw2 n GLY 55 N -0.03 3.62 3.52 0.00 0.00 -0.01 -4.78 105.19 107.51 1dw2 n GLY 55 Ca 0.12 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.85 1dw2 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw2 s GLN 56 N -2.12 0.76 0.95 1.61 0.00 0.22 -1.05 119.66 120.03 1dw2 s GLN 56 Ca 0.01 -0.17 -0.12 0.00 -0.00 0.00 0.00 55.36 55.07 1dw2 s GLN 56 Cb -0.00 0.35 0.16 0.00 0.00 0.00 0.00 33.01 33.52 1dw2 s GLN 56 CO 0.01 -0.31 1.12 0.95 0.00 0.00 0.00 175.29 177.05 1dw2 s THR 57 N -2.56 2.08 0.40 3.63 -4.23 -0.09 -4.25 115.64 110.63 1dw2 s THR 57 Ca 0.03 0.03 0.13 0.00 -1.18 0.00 0.00 61.69 60.70 1dw2 s THR 57 Cb -0.01 -2.66 0.34 0.00 1.34 0.00 0.00 72.50 71.52 1dw2 s THR 57 CO -0.06 -0.03 1.91 0.03 -0.54 0.00 0.00 174.62 175.93 1dw2 h ARG 58 N -1.66 0.49 -0.01 3.99 3.08 -1.92 -1.51 114.38 116.85 1dw2 h ARG 58 Ca -0.52 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.50 1dw2 h ARG 58 Cb 1.33 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.27 1dw2 h ARG 58 CO 0.60 0.33 -0.09 0.25 -1.07 0.00 0.00 179.97 179.98 1dw2 n THR 59 N -4.50 0.00 0.00 2.04 -2.24 -1.26 -4.92 114.28 103.39 1dw2 n THR 59 Ca 0.15 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1dw2 n THR 59 Cb 0.50 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1dw2 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw2 n GLY 60 N 1.22 0.64 3.72 3.38 0.00 -0.57 -5.08 105.19 108.51 1dw2 n GLY 60 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1dw2 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw2 s LYS 61 N -0.65 4.41 0.53 1.61 3.01 -1.26 -4.75 119.74 122.63 1dw2 s LYS 61 Ca 0.00 1.89 -0.22 0.00 -1.01 0.00 0.00 55.97 56.63 1dw2 s LYS 61 Cb 0.00 -3.29 -0.05 0.00 -1.01 0.00 0.00 37.83 33.48 1dw2 s LYS 61 CO 0.00 -0.28 1.35 -2.00 0.51 0.00 0.00 175.35 174.93 1dw2 s GLU 62 N 0.79 3.24 -0.06 1.68 2.56 -1.26 -0.91 118.70 124.75 1dw2 s GLU 62 Ca 0.59 2.22 0.02 0.00 0.00 0.00 0.00 54.97 57.80 1dw2 s GLU 62 Cb -0.33 -2.31 0.02 0.00 2.00 0.00 0.00 34.13 33.51 1dw2 s GLU 62 CO 0.31 -1.10 -0.09 0.42 -0.56 0.00 0.00 175.26 174.24 1dw2 s ILE 63 N -1.31 0.86 0.71 -3.70 1.01 -0.22 -4.77 121.20 113.79 1dw2 s ILE 63 Ca 0.70 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.88 1dw2 s ILE 63 Cb -0.40 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.28 1dw2 s ILE 63 CO 0.48 0.29 1.21 0.00 0.00 0.00 0.00 174.94 176.92 1dw2 s ALA 64 N 0.78 2.18 0.48 9.38 0.00 -1.26 -0.83 121.76 132.50 1dw2 s ALA 64 Ca -0.13 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 52.51 1dw2 s ALA 64 Cb -0.15 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 1dw2 s ALA 64 CO 0.02 -1.78 0.59 -2.30 0.00 0.00 0.00 175.76 172.29 1dw2 n PRO 65 N -2.58 0.64 0.17 0.00 -0.02 -1.26 -4.61 135.00 127.34 1dw2 n PRO 65 Ca 0.13 0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.91 1dw2 n PRO 65 Cb 0.50 -1.65 0.08 0.00 -0.02 0.00 0.00 33.50 32.42 1dw2 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw2 h LEU 66 N 0.65 0.00 -9.61 2.45 3.38 -1.66 -3.41 115.31 107.11 1dw2 h LEU 66 Ca -0.43 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.01 1dw2 h LEU 66 Cb 1.39 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.18 1dw2 h LEU 66 CO 0.50 0.33 0.78 0.00 0.09 0.00 0.00 178.44 180.14 1dw2 s ALA 67 N -3.06 3.66 0.42 1.53 0.00 -0.70 -4.88 121.76 118.73 1dw2 s ALA 67 Ca 0.05 1.24 0.09 0.00 0.00 0.00 0.00 51.96 53.34 1dw2 s ALA 67 Cb 0.07 -3.56 0.90 0.00 0.00 0.00 0.00 23.12 20.53 1dw2 s ALA 67 CO 0.72 -0.68 2.04 -1.35 0.00 0.00 0.00 175.76 176.48 1dw2 h PRO 68 N 6.41 0.38 -0.10 0.00 0.11 -1.76 0.23 132.00 137.28 1dw2 h PRO 68 Ca -0.43 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.67 1dw2 h PRO 68 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1dw2 h PRO 68 CO 0.86 0.31 0.09 0.66 -0.21 0.00 0.00 178.00 179.71 1dw2 h SER 69 N 0.39 0.00 0.00 -2.05 4.64 -1.89 -2.72 113.55 111.91 1dw2 h SER 69 Ca 0.10 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.24 1dw2 h SER 69 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 1dw2 h SER 69 CO -0.01 0.00 -1.92 0.00 -0.87 0.00 0.00 176.83 174.03 1dw2 n ALA 70 N -2.45 1.97 -3.71 5.18 0.00 -0.40 -4.81 120.51 116.29 1dw2 n ALA 70 Ca -0.01 -0.77 -0.30 0.00 0.00 0.00 0.00 53.44 52.37 1dw2 n ALA 70 Cb 0.20 -0.23 -0.13 0.00 0.00 0.00 0.00 19.45 19.28 1dw2 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dw2 s THR 71 N -2.62 1.34 0.26 0.00 2.01 0.66 -4.92 115.64 112.37 1dw2 s THR 71 Ca -0.07 -2.47 -0.02 0.00 0.31 0.00 0.00 61.69 59.44 1dw2 s THR 71 Cb 0.06 -1.94 0.39 0.00 0.01 0.00 0.00 72.50 71.02 1dw2 s THR 71 CO 0.63 -0.89 1.39 -2.65 -0.69 0.00 0.00 174.62 172.41 1dw2 n PRO 72 N 3.62 -0.07 -0.46 4.92 -0.02 -1.18 -1.58 135.00 140.23 1dw2 n PRO 72 Ca 0.08 1.35 0.01 0.00 -2.02 0.00 0.00 63.50 62.93 1dw2 n PRO 72 Cb 0.35 -2.09 0.18 0.00 -0.02 0.00 0.00 33.50 31.92 1dw2 n PRO 72 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1dw2 n ASP 73 N -5.36 3.33 -4.74 2.55 5.75 -1.26 -4.92 116.55 111.90 1dw2 n ASP 73 Ca 0.18 -2.50 -0.38 0.00 -0.01 0.00 0.00 54.79 52.08 1dw2 n ASP 73 Cb 0.57 -0.60 0.05 0.00 -1.03 0.00 0.00 41.12 40.12 1dw2 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dw2 s ARG 74 N -1.83 2.86 -1.46 0.11 1.81 -0.62 -3.12 118.95 116.71 1dw2 s ARG 74 Ca 0.27 2.16 -0.07 0.00 -1.72 0.00 0.00 55.73 56.37 1dw2 s ARG 74 Cb 0.21 -2.06 0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1dw2 s ARG 74 CO 0.07 -1.38 0.61 1.19 -0.68 0.00 0.00 175.30 175.11 1dw2 n PHE 75 N -1.44 -1.97 0.03 -0.53 3.72 -1.26 -4.77 117.46 111.23 1dw2 n PHE 75 Ca 0.13 0.54 0.02 0.00 -0.05 0.00 0.00 57.45 58.09 1dw2 n PHE 75 Cb 0.46 -4.02 0.03 0.00 -0.94 0.00 0.00 39.48 35.02 1dw2 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw2 n THR 76 N -4.36 0.57 -3.84 4.37 -2.24 -1.18 -2.90 114.28 104.69 1dw2 n THR 76 Ca -0.07 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.63 1dw2 n THR 76 Cb 0.59 0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 69.41 1dw2 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw2 s ASP 77 N -0.68 3.87 0.15 3.42 -1.08 -1.26 -1.84 116.67 119.26 1dw2 s ASP 77 Ca 0.05 -1.41 -0.20 0.00 -0.52 0.00 0.00 52.55 50.47 1dw2 s ASP 77 Cb 0.03 -1.02 0.05 0.00 -1.46 0.00 0.00 42.92 40.52 1dw2 s ASP 77 CO 0.04 -0.33 1.65 0.28 0.52 0.00 0.00 175.17 177.33 1dw2 h SER 78 N 8.01 -0.58 -0.72 -0.34 0.02 -1.92 -1.88 113.55 116.13 1dw2 h SER 78 Ca -0.14 0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1dw2 h SER 78 Cb 1.05 0.30 -0.12 0.00 0.14 0.00 0.00 62.40 63.78 1dw2 h SER 78 CO 0.43 -0.21 -0.47 0.00 -1.14 0.00 0.00 176.83 175.44 1dw2 h ALA 79 N 1.04 -0.34 -0.24 3.77 0.00 -1.99 -1.38 119.26 120.12 1dw2 h ALA 79 Ca 0.15 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1dw2 h ALA 79 Cb 0.38 1.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1dw2 h ALA 79 CO -0.38 -0.85 0.12 -0.09 0.00 0.00 0.00 179.25 178.05 1dw2 h ARG 80 N -0.16 0.25 0.53 0.00 2.43 -1.86 -0.50 114.38 115.06 1dw2 h ARG 80 Ca 0.19 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1dw2 h ARG 80 Cb 0.54 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1dw2 h ARG 80 CO -0.78 0.16 -0.34 0.28 -1.51 0.00 0.00 179.97 177.78 1dw2 h VAL 81 N 0.25 0.31 -0.70 0.20 2.07 -1.16 -1.94 116.25 115.28 1dw2 h VAL 81 Ca 0.10 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.66 1dw2 h VAL 81 Cb 0.02 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 1dw2 h VAL 81 CO -0.06 0.00 0.46 -0.33 0.02 0.00 0.00 177.57 177.66 1dw2 h GLU 82 N -0.83 0.78 0.38 1.57 4.39 -1.12 -1.99 114.58 117.76 1dw2 h GLU 82 Ca -0.06 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1dw2 h GLU 82 Cb 0.68 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1dw2 h GLU 82 CO 0.05 0.52 -0.18 -0.22 -1.16 0.00 0.00 179.01 178.01 1dw2 h LYS 83 N 0.80 -0.49 -0.08 2.33 3.64 -0.67 -2.01 116.57 120.09 1dw2 h LYS 83 Ca 0.29 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.69 1dw2 h LYS 83 Cb 0.13 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1dw2 h LYS 83 CO -0.09 -0.25 -0.01 -1.49 -2.27 0.00 0.00 179.45 175.34 1dw2 h TRP 84 N -0.65 0.16 -0.57 1.91 4.06 -1.05 -2.71 115.95 117.10 1dw2 h TRP 84 Ca -0.05 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.96 1dw2 h TRP 84 Cb 0.47 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.56 1dw2 h TRP 84 CO -0.02 0.43 0.38 -0.07 -3.56 0.00 0.00 178.44 175.60 1dw2 h LEU 85 N -0.16 0.36 0.83 -4.49 3.38 -1.45 -0.08 115.31 113.70 1dw2 h LEU 85 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1dw2 h LEU 85 Cb 0.37 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1dw2 h LEU 85 CO 0.01 0.22 -0.44 1.23 0.09 0.00 0.00 178.44 179.54 1dw2 h GLY 86 N 0.40 -1.25 0.83 0.83 0.00 -1.31 -0.20 103.07 102.37 1dw2 h GLY 86 Ca 0.26 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 48.06 1dw2 h GLY 86 CO -0.07 -0.44 0.03 3.21 0.00 0.00 0.00 176.54 179.27 1dw2 h ARG 87 N -1.17 0.22 0.00 4.80 3.08 -1.01 -3.33 114.38 116.97 1dw2 h ARG 87 Ca -0.11 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1dw2 h ARG 87 Cb 0.92 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1dw2 h ARG 87 CO 0.15 0.38 -0.65 -0.91 -1.07 0.00 0.00 179.97 177.88 1dw2 h ASN 88 N 0.02 0.00 -0.44 7.04 2.35 -1.02 -3.20 115.58 120.33 1dw2 h ASN 88 Ca 0.04 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1dw2 h ASN 88 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1dw2 h ASN 88 CO 0.00 0.03 0.21 0.00 -1.65 0.00 0.00 177.43 176.02 1dw2 h ASN 90 N 0.57 0.31 -0.49 0.00 4.21 -1.60 0.26 115.58 118.84 1dw2 h ASN 90 Ca 0.15 -0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 1dw2 h ASN 90 Cb 0.13 -0.08 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1dw2 h ASN 90 CO -0.02 0.25 0.28 0.28 -1.29 0.00 0.00 177.43 176.93 1dw2 h SER 91 N 0.35 0.59 0.08 5.81 0.02 -1.52 0.18 113.55 119.06 1dw2 h SER 91 Ca 0.10 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1dw2 h SER 91 Cb -0.02 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.37 1dw2 h SER 91 CO -0.02 0.49 -0.04 0.58 -1.14 0.00 0.00 176.83 176.70 1dw2 h VAL 92 N 0.64 1.04 0.02 2.27 2.07 -1.17 0.32 116.25 121.44 1dw2 h VAL 92 Ca 0.17 -1.46 -0.34 0.00 0.82 0.00 0.00 66.70 65.89 1dw2 h VAL 92 Cb 0.02 1.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1dw2 h VAL 92 CO -0.03 0.31 -2.09 -0.38 0.02 0.00 0.00 177.57 175.39 1dw2 n ILE 93 N -4.81 1.54 0.00 4.57 5.41 0.89 -3.11 119.36 123.85 1dw2 n ILE 93 Ca -0.07 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 62.91 1dw2 n ILE 93 Cb 0.29 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1dw2 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dw2 n GLY 94 N 1.78 0.85 3.74 7.39 0.00 0.62 -3.94 105.19 115.64 1dw2 n GLY 94 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 1dw2 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw2 s ARG 95 N -0.34 1.20 0.82 1.61 1.70 -1.24 -4.91 118.95 117.78 1dw2 s ARG 95 Ca 0.00 -0.65 -0.11 0.00 -0.47 0.00 0.00 55.73 54.50 1dw2 s ARG 95 Cb 0.00 0.42 0.09 0.00 -0.57 0.00 0.00 34.95 34.88 1dw2 s ARG 95 CO 0.00 -0.55 1.13 -0.51 -1.08 0.00 0.00 175.30 174.29 1dw2 s ASP 96 N -2.91 3.84 0.29 -2.89 1.01 -1.26 -2.98 116.67 111.77 1dw2 s ASP 96 Ca 0.12 2.06 -0.29 0.00 0.71 0.00 0.00 52.55 55.15 1dw2 s ASP 96 Cb -0.02 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 1dw2 s ASP 96 CO 0.02 -2.49 1.07 0.00 0.21 0.00 0.00 175.17 173.98 1dw2 s THR 98 N -1.24 2.89 0.34 0.00 -4.23 -1.26 -4.84 115.64 107.31 1dw2 s THR 98 Ca 0.46 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1dw2 s THR 98 Cb -0.30 -3.18 0.23 0.00 1.34 0.00 0.00 72.50 70.59 1dw2 s THR 98 CO 0.38 -0.38 1.96 -0.65 -0.54 0.00 0.00 174.62 175.39 1dw2 h PRO 99 N -0.97 0.74 -0.53 3.99 0.11 -1.93 -0.53 132.00 132.89 1dw2 h PRO 99 Ca -0.46 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1dw2 h PRO 99 Cb 1.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1dw2 h PRO 99 CO 0.63 0.56 0.22 0.78 -0.21 0.00 0.00 178.00 179.98 1dw2 h GLY 100 N 0.83 0.84 1.00 -0.55 0.00 -1.91 -0.53 103.07 102.75 1dw2 h GLY 100 Ca 0.19 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1dw2 h GLY 100 CO -0.03 0.42 0.09 0.83 0.00 0.00 0.00 176.54 177.85 1dw2 h GLU 101 N 0.71 0.89 -0.66 4.80 5.08 -1.79 0.09 114.58 123.70 1dw2 h GLU 101 Ca 0.18 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1dw2 h GLU 101 Cb 0.18 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1dw2 h GLU 101 CO -0.02 0.86 0.36 0.87 -1.00 0.00 0.00 179.01 180.08 1dw2 h LYS 102 N 0.78 0.93 -0.37 2.33 1.57 -0.94 0.45 116.57 121.32 1dw2 h LYS 102 Ca 0.16 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1dw2 h LYS 102 Cb 0.40 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1dw2 h LYS 102 CO 0.01 0.71 0.21 0.00 -0.57 0.00 0.00 179.45 179.81 1dw2 h ALA 103 N 1.17 0.47 -0.04 3.86 0.00 -0.72 -1.67 119.26 122.34 1dw2 h ALA 103 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1dw2 h ALA 103 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1dw2 h ALA 103 CO -0.04 -0.01 -0.01 -0.44 0.00 0.00 0.00 179.25 178.76 1dw2 h ASP 104 N 0.47 -0.03 -0.46 0.00 3.45 -0.29 -0.32 116.42 119.25 1dw2 h ASP 104 Ca 0.13 0.01 0.03 0.00 0.43 0.00 0.00 57.03 57.63 1dw2 h ASP 104 Cb 0.05 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 38.80 1dw2 h ASP 104 CO -0.02 -0.01 0.25 -0.07 -1.57 0.00 0.00 179.24 177.82 1dw2 h LEU 105 N 0.01 0.40 -0.84 1.55 3.38 -0.06 -2.18 115.31 117.56 1dw2 h LEU 105 Ca 0.02 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1dw2 h LEU 105 Cb 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1dw2 h LEU 105 CO -0.04 0.28 -0.57 -0.07 0.09 0.00 0.00 178.44 178.13 1dw2 h LEU 106 N 0.51 0.02 -0.92 1.67 3.38 -1.22 0.52 115.31 119.28 1dw2 h LEU 106 Ca 0.19 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1dw2 h LEU 106 Cb 0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1dw2 h LEU 106 CO -0.10 0.59 0.05 0.00 0.09 0.00 0.00 178.44 179.07 1dw2 h ALA 107 N 1.41 1.11 -0.01 1.53 0.00 -0.75 -1.10 119.26 121.45 1dw2 h ALA 107 Ca -0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.51 1dw2 h ALA 107 Cb 1.02 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1dw2 h ALA 107 CO 0.08 0.58 -0.58 2.35 0.00 0.00 0.00 179.25 181.67 1dw2 h TRP 108 N 0.80 0.60 -0.68 0.00 7.01 -1.06 -3.28 115.95 119.34 1dw2 h TRP 108 Ca 0.16 -0.32 -0.08 0.00 2.11 0.00 0.00 58.89 60.77 1dw2 h TRP 108 Cb 0.40 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1dw2 h TRP 108 CO 0.02 1.13 0.13 -0.07 -2.79 0.00 0.00 178.44 176.87 1dw2 h LEU 109 N -0.11 1.07 -0.95 0.65 3.38 -0.77 -2.74 115.31 115.84 1dw2 h LEU 109 Ca -0.07 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1dw2 h LEU 109 Cb 1.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1dw2 h LEU 109 CO 0.11 1.05 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1dw2 h ALA 110 N 1.06 1.00 -0.06 1.53 0.00 -1.32 -2.13 119.26 119.33 1dw2 h ALA 110 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1dw2 h ALA 110 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dw2 h ALA 110 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.26 1dw2 n ALA 111 N -1.94 2.58 1.74 0.00 0.00 -1.04 -4.72 120.51 117.14 1dw2 n ALA 111 Ca 0.02 -0.39 0.15 0.00 0.00 0.00 0.00 53.44 53.22 1dw2 n ALA 111 Cb 0.30 -1.21 0.73 0.00 0.00 0.00 0.00 19.45 19.27 1dw2 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54