#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dw3 n ASP 2 N 0.00 2.84 -0.41 1.61 5.75 -0.71 -4.98 116.55 120.65 1dw3 n ASP 2 Ca 0.00 -1.94 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1dw3 n ASP 2 Cb 0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1dw3 n ASP 2 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 1dw3 n THR 3 N 1.22 0.00 -3.86 2.12 5.66 -0.86 -4.95 114.28 113.61 1dw3 n THR 3 Ca 0.15 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.05 1dw3 n THR 3 Cb 0.57 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.30 1dw3 n THR 3 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1dw3 s SER 4 N 0.48 -0.12 0.20 1.09 1.04 -1.25 -4.52 113.70 110.61 1dw3 s SER 4 Ca 0.00 -0.70 -0.11 0.00 0.48 0.00 0.00 55.95 55.62 1dw3 s SER 4 Cb 0.00 0.53 0.21 0.00 0.10 0.00 0.00 66.02 66.86 1dw3 s SER 4 CO 0.00 -1.01 1.77 -0.65 0.98 0.00 0.00 173.24 174.32 1dw3 h PRO 5 N 2.33 0.45 -0.44 4.02 0.11 -1.78 -1.48 132.00 135.21 1dw3 h PRO 5 Ca -0.29 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1dw3 h PRO 5 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1dw3 h PRO 5 CO 0.41 0.30 0.21 0.00 -0.21 0.00 0.00 178.00 178.70 1dw3 h ALA 6 N 1.35 0.56 -0.58 -0.75 0.00 -1.96 0.36 119.26 118.24 1dw3 h ALA 6 Ca 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1dw3 h ALA 6 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1dw3 h ALA 6 CO -0.23 0.13 0.34 1.96 0.00 0.00 0.00 179.25 181.45 1dw3 h GLN 7 N 0.56 0.79 -0.27 0.00 4.20 -1.88 0.89 115.11 119.40 1dw3 h GLN 7 Ca 0.15 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1dw3 h GLN 7 Cb 0.13 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1dw3 h GLN 7 CO -0.02 0.58 0.11 -0.07 -0.67 0.00 0.00 178.83 178.76 1dw3 h LEU 8 N 0.78 0.37 -0.42 1.46 3.38 -1.06 -2.14 115.31 117.68 1dw3 h LEU 8 Ca 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1dw3 h LEU 8 Cb -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1dw3 h LEU 8 CO -0.04 0.43 0.25 0.40 0.09 0.00 0.00 178.44 179.58 1dw3 h ILE 9 N 0.29 1.14 -0.78 1.22 2.04 -0.58 -1.83 117.51 119.00 1dw3 h ILE 9 Ca 0.09 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1dw3 h ILE 9 Cb 0.18 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1dw3 h ILE 9 CO -0.01 0.14 0.50 0.00 0.00 0.00 0.00 178.15 178.78 1dw3 h ALA 10 N 1.11 1.41 -0.53 1.87 0.00 -0.77 0.07 119.26 122.42 1dw3 h ALA 10 Ca 0.15 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1dw3 h ALA 10 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1dw3 h ALA 10 CO -0.03 0.53 -0.03 0.78 0.00 0.00 0.00 179.25 180.50 1dw3 h GLY 11 N 1.07 1.01 1.06 0.00 0.00 -0.98 -1.66 103.07 103.56 1dw3 h GLY 11 Ca 0.28 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 1dw3 h GLY 11 CO -0.06 0.67 -0.39 -0.97 0.00 0.00 0.00 176.54 175.80 1dw3 h TYR 12 N 0.85 0.99 -0.70 5.60 0.99 -0.65 -2.48 116.97 121.57 1dw3 h TYR 12 Ca 0.15 -0.32 0.03 0.00 2.00 0.00 0.00 58.73 60.59 1dw3 h TYR 12 Cb 0.55 -0.20 -0.04 0.00 1.00 0.00 0.00 36.73 38.04 1dw3 h TYR 12 CO 0.03 1.11 0.44 0.93 -0.00 0.00 0.00 178.16 180.68 1dw3 h GLU 13 N 0.59 0.84 -0.63 4.88 5.08 -0.88 -0.95 114.58 123.50 1dw3 h GLU 13 Ca 0.04 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1dw3 h GLU 13 Cb 0.98 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 1dw3 h GLU 13 CO 0.09 0.56 0.40 0.00 -1.00 0.00 0.00 179.01 179.06 1dw3 h ALA 14 N 1.29 0.81 0.00 3.43 0.00 -1.17 0.11 119.26 123.73 1dw3 h ALA 14 Ca 0.28 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 1dw3 h ALA 14 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1dw3 h ALA 14 CO -0.10 0.18 -0.49 0.00 0.00 0.00 0.00 179.25 178.84 1dw3 h ALA 15 N 1.26 1.03 0.00 0.00 0.00 -0.91 -3.07 119.26 117.57 1dw3 h ALA 15 Ca 0.25 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1dw3 h ALA 15 Cb -0.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1dw3 h ALA 15 CO -0.08 0.61 -0.60 0.00 0.00 0.00 0.00 179.25 179.18 1dw3 h ALA 16 N 1.51 0.63 -0.05 0.00 0.00 -0.81 -3.48 119.26 117.06 1dw3 h ALA 16 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1dw3 h ALA 16 Cb 0.96 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1dw3 h ALA 16 CO 0.06 0.72 -0.02 0.41 0.00 0.00 0.00 179.25 180.43 1dw3 n GLY 17 N 1.25 0.48 3.43 0.00 0.00 0.33 -4.89 105.19 105.79 1dw3 n GLY 17 Ca 0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.09 1dw3 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw3 s ALA 18 N -2.02 -1.45 0.65 4.61 0.00 -1.11 -5.05 121.76 117.39 1dw3 s ALA 18 Ca 0.00 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 1dw3 s ALA 18 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1dw3 s ALA 18 CO 0.00 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.16 1dw3 s PRO 19 N -1.88 2.94 0.51 0.00 0.04 -1.26 -4.55 135.00 130.80 1dw3 s PRO 19 Ca -0.08 1.27 -0.21 0.00 0.04 0.00 0.00 61.00 62.03 1dw3 s PRO 19 Cb -0.01 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1dw3 s PRO 19 CO 0.03 -1.13 1.12 0.00 0.04 0.00 0.00 177.00 177.07 1dw3 s ALA 20 N -2.48 2.80 -0.28 8.56 0.00 -1.26 -4.96 121.76 124.13 1dw3 s ALA 20 Ca 0.65 0.82 0.01 0.00 0.00 0.00 0.00 51.96 53.43 1dw3 s ALA 20 Cb -0.18 -3.35 0.08 0.00 0.00 0.00 0.00 23.12 19.67 1dw3 s ALA 20 CO 0.42 -0.66 0.04 0.34 0.00 0.00 0.00 175.76 175.90 1dw3 s ASP 21 N -1.68 4.05 0.54 0.00 -1.08 -1.26 -4.96 116.67 112.27 1dw3 s ASP 21 Ca 0.69 -1.55 0.19 0.00 -0.52 0.00 0.00 52.55 51.37 1dw3 s ASP 21 Cb -0.24 -1.11 1.39 0.00 -1.46 0.00 0.00 42.92 41.50 1dw3 s ASP 21 CO 0.28 -0.34 2.16 0.00 0.52 0.00 0.00 175.17 177.78 1dw3 h ALA 22 N 7.95 1.94 -0.38 3.66 0.00 -1.89 -1.85 119.26 128.69 1dw3 h ALA 22 Ca -0.13 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1dw3 h ALA 22 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1dw3 h ALA 22 CO 0.45 -0.05 0.03 1.49 0.00 0.00 0.00 179.25 181.17 1dw3 h GLU 23 N 0.00 0.66 -0.65 0.00 4.81 -1.95 -0.03 114.58 117.42 1dw3 h GLU 23 Ca 0.02 -0.19 -0.09 0.00 -0.13 0.00 0.00 59.36 58.97 1dw3 h GLU 23 Cb 0.08 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1dw3 h GLU 23 CO -0.00 0.74 0.06 0.00 -0.73 0.00 0.00 179.01 179.08 1dw3 h ARG 24 N 0.49 1.09 -0.32 1.92 3.08 -1.77 -2.02 114.38 116.85 1dw3 h ARG 24 Ca 0.11 -0.31 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1dw3 h ARG 24 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1dw3 h ARG 24 CO 0.01 1.03 0.07 0.78 -1.07 0.00 0.00 179.97 180.79 1dw3 h GLY 25 N 1.03 0.55 0.67 0.04 0.00 -0.91 -1.56 103.07 102.88 1dw3 h GLY 25 Ca 0.19 -0.35 0.06 0.00 0.00 0.00 0.00 47.33 47.24 1dw3 h GLY 25 CO 0.02 0.32 0.38 -0.09 0.00 0.00 0.00 176.54 177.18 1dw3 h ARG 26 N 0.35 0.68 -0.48 4.80 2.43 -0.92 -0.56 114.38 120.68 1dw3 h ARG 26 Ca 0.10 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1dw3 h ARG 26 Cb 0.30 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1dw3 h ARG 26 CO 0.00 0.45 -0.06 0.00 -1.51 0.00 0.00 179.97 178.85 1dw3 h ALA 27 N 1.36 0.66 -0.23 2.80 0.00 -1.17 -1.34 119.26 121.34 1dw3 h ALA 27 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1dw3 h ALA 27 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dw3 h ALA 27 CO -0.19 0.52 0.08 1.25 0.00 0.00 0.00 179.25 180.91 1dw3 h LEU 28 N 0.74 0.32 -0.59 0.00 5.85 -1.08 -1.65 115.31 118.91 1dw3 h LEU 28 Ca 0.13 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1dw3 h LEU 28 Cb 0.60 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1dw3 h LEU 28 CO 0.04 0.41 0.33 0.15 -0.34 0.00 0.00 178.44 179.03 1dw3 h PHE 29 N 0.20 0.80 0.00 1.25 3.57 -0.76 -2.73 116.94 119.27 1dw3 h PHE 29 Ca 0.07 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1dw3 h PHE 29 Cb 0.20 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1dw3 h PHE 29 CO -0.00 0.57 0.00 1.28 -2.23 0.00 0.00 178.31 177.93 1dw3 n LEU 30 N -4.59 0.58 -4.75 0.59 4.77 -0.54 -3.58 117.00 109.49 1dw3 n LEU 30 Ca 0.04 0.56 -0.31 0.00 -0.03 0.00 0.00 56.01 56.26 1dw3 n LEU 30 Cb 0.08 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 40.90 1dw3 n LEU 30 CO 0.37 -0.14 0.70 -0.94 -1.33 0.00 0.00 177.39 176.04 1dw3 s SER 31 N -4.09 4.19 -0.28 -1.43 1.04 -0.62 -4.95 113.70 107.56 1dw3 s SER 31 Ca 0.11 1.91 -0.11 0.00 0.48 0.00 0.00 55.95 58.34 1dw3 s SER 31 Cb 0.14 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 1dw3 s SER 31 CO 0.57 -2.25 0.21 -0.89 0.98 0.00 0.00 173.24 171.86 1dw3 s THR 32 N -2.82 5.30 0.06 2.02 2.01 -1.26 -4.40 115.64 116.54 1dw3 s THR 32 Ca 0.63 0.18 0.02 0.00 0.31 0.00 0.00 61.69 62.83 1dw3 s THR 32 Cb -0.19 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1dw3 s THR 32 CO 0.56 0.23 0.08 -1.10 -0.69 0.00 0.00 174.62 173.69 1dw3 s GLN 33 N 1.79 2.93 0.00 4.92 -1.52 0.16 -5.02 119.66 122.91 1dw3 s GLN 33 Ca 0.08 -0.64 0.09 0.00 -1.95 0.00 0.00 55.36 52.94 1dw3 s GLN 33 Cb -0.16 -2.76 0.09 0.00 -0.22 0.00 0.00 33.01 29.96 1dw3 s GLN 33 CO 0.11 0.59 0.84 0.25 -0.25 0.00 0.00 175.29 176.82 1dw3 n THR 34 N 0.67 0.14 0.33 -0.19 -2.24 -1.26 -4.71 114.28 107.01 1dw3 n THR 34 Ca -0.10 -0.57 0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1dw3 n THR 34 Cb 0.52 1.09 0.11 0.00 -2.10 0.00 0.00 70.33 69.95 1dw3 n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw3 n GLY 35 N 0.47 0.97 0.00 3.38 0.00 -1.26 -5.00 105.19 103.75 1dw3 n GLY 35 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1dw3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dw3 n GLY 36 N 0.86 3.39 3.77 -0.02 0.00 -1.17 -4.03 105.19 107.99 1dw3 n GLY 36 Ca 0.11 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1dw3 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw3 s LYS 37 N 4.89 4.27 0.49 1.61 3.01 0.12 -4.92 119.74 129.21 1dw3 s LYS 37 Ca 0.00 2.03 0.16 0.00 -1.01 0.00 0.00 55.97 57.15 1dw3 s LYS 37 Cb 0.00 -2.94 1.16 0.00 -1.01 0.00 0.00 37.83 35.04 1dw3 s LYS 37 CO 0.00 -0.20 2.08 -1.00 0.51 0.00 0.00 175.35 176.74 1dw3 h PRO 38 N 3.16 0.00 -0.00 -1.68 0.13 -1.97 -2.30 132.00 129.34 1dw3 h PRO 38 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1dw3 h PRO 38 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1dw3 h PRO 38 CO 0.64 0.09 -0.14 -0.40 -0.23 0.00 0.00 178.00 177.96 1dw3 n ASP 39 N -4.41 0.63 -3.52 1.44 5.75 -1.26 -4.17 116.55 111.01 1dw3 n ASP 39 Ca -0.03 -0.68 -0.27 0.00 -0.01 0.00 0.00 54.79 53.81 1dw3 n ASP 39 Cb 0.16 -0.02 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 1dw3 n ASP 39 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dw3 n THR 40 N -0.85 0.64 0.27 2.12 -2.24 -0.86 -4.95 114.28 108.40 1dw3 n THR 40 Ca 0.14 -4.42 0.13 0.00 -2.27 0.00 0.00 64.05 57.63 1dw3 n THR 40 Cb 0.29 -1.99 0.75 0.00 -2.10 0.00 0.00 70.33 67.28 1dw3 n THR 40 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dw3 h PRO 41 N 4.88 0.00 -3.80 -0.78 0.13 -1.73 -3.37 132.00 127.33 1dw3 h PRO 41 Ca 0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.22 1dw3 h PRO 41 Cb 0.79 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.79 1dw3 h PRO 41 CO 0.61 0.11 -0.35 0.45 -0.23 0.00 0.00 178.00 178.59 1dw3 s SER 42 N -6.09 0.09 0.38 1.44 0.15 -1.26 0.36 113.70 108.78 1dw3 s SER 42 Ca -0.03 -0.68 0.08 0.00 0.70 0.00 0.00 55.95 56.03 1dw3 s SER 42 Cb 0.13 0.36 0.83 0.00 -1.71 0.00 0.00 66.02 65.63 1dw3 s SER 42 CO 0.57 -0.76 1.97 0.00 1.20 0.00 0.00 173.24 176.22 1dw3 h THR 44 N 0.64 0.46 -0.80 0.00 2.02 -1.77 -1.98 112.91 111.48 1dw3 h THR 44 Ca 0.30 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.59 1dw3 h THR 44 Cb 0.34 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.65 1dw3 h THR 44 CO -0.10 0.00 0.43 0.74 0.37 0.00 0.00 175.52 176.96 1dw3 h THR 45 N 0.00 0.82 0.00 3.16 2.02 -1.55 0.11 112.91 117.47 1dw3 h THR 45 Ca 0.01 -0.23 -0.34 0.00 0.77 0.00 0.00 66.41 66.61 1dw3 h THR 45 Cb 0.04 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 1dw3 h THR 45 CO -0.00 0.12 -2.28 0.00 0.37 0.00 0.00 175.52 173.73 1dw3 n HIS 47 N -2.85 0.32 -0.29 0.00 8.25 -0.76 -0.20 115.22 119.69 1dw3 n HIS 47 Ca -0.34 0.09 0.04 0.00 -0.26 0.00 0.00 57.72 57.25 1dw3 n HIS 47 Cb 1.04 -0.48 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 1dw3 n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dw3 n GLY 48 N 1.36 -1.59 0.14 -1.41 0.00 0.36 -4.50 105.19 99.55 1dw3 n GLY 48 Ca 0.02 -1.45 0.06 0.00 0.00 0.00 0.00 46.02 44.65 1dw3 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dw3 h ALA 49 N -0.27 0.69 -3.10 4.61 0.00 -1.96 -3.40 119.26 115.84 1dw3 h ALA 49 Ca -0.00 -0.35 -0.70 0.00 0.00 0.00 0.00 54.91 53.86 1dw3 h ALA 49 Cb 0.26 0.05 -0.30 0.00 0.00 0.00 0.00 17.79 17.81 1dw3 h ALA 49 CO 0.00 0.41 -0.58 0.34 0.00 0.00 0.00 179.25 179.43 1dw3 s ASP 50 N -5.95 5.34 0.00 0.00 3.68 -1.26 -4.98 116.67 113.50 1dw3 s ASP 50 Ca 0.02 -1.35 0.31 0.00 2.13 0.00 0.00 52.55 53.66 1dw3 s ASP 50 Cb 0.08 -1.88 1.78 0.00 -1.45 0.00 0.00 42.92 41.45 1dw3 s ASP 50 CO 0.76 -0.40 2.17 1.33 0.13 0.00 0.00 175.17 179.16 1dw3 n VAL 51 N 4.79 0.00 1.18 1.11 0.24 -1.26 -2.37 118.33 122.02 1dw3 n VAL 51 Ca -0.11 -0.01 0.13 0.00 -2.04 0.00 0.00 64.34 62.32 1dw3 n VAL 51 Cb 0.44 -0.46 0.65 0.00 -1.47 0.00 0.00 33.84 33.00 1dw3 n VAL 51 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1dw3 n THR 52 N -1.04 0.12 -4.02 3.34 -2.24 -1.26 -1.99 114.28 107.19 1dw3 n THR 52 Ca 0.21 0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.81 1dw3 n THR 52 Cb 0.15 -0.57 -0.04 0.00 -2.10 0.00 0.00 70.33 67.77 1dw3 n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dw3 s ARG 53 N -2.72 3.02 0.66 -0.78 1.81 -1.00 -4.83 118.95 115.12 1dw3 s ARG 53 Ca 0.22 -1.02 -0.16 0.00 -1.72 0.00 0.00 55.73 53.05 1dw3 s ARG 53 Cb 0.18 -2.63 0.00 0.00 -0.45 0.00 0.00 34.95 32.05 1dw3 s ARG 53 CO 0.44 0.36 1.14 0.00 -0.68 0.00 0.00 175.30 176.56 1dw3 s ALA 54 N -2.12 2.41 0.00 2.13 0.00 -1.26 -4.09 121.76 118.82 1dw3 s ALA 54 Ca 0.35 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1dw3 s ALA 54 Cb -0.08 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1dw3 s ALA 54 CO 0.26 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 175.07 1dw3 n GLY 55 N -0.19 6.65 3.59 0.00 0.00 -0.22 -4.82 105.19 110.19 1dw3 n GLY 55 Ca 0.11 -1.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.08 1dw3 n GLY 55 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dw3 s GLN 56 N 1.44 0.45 1.21 1.61 0.00 0.71 -1.68 119.66 123.41 1dw3 s GLN 56 Ca 0.00 0.01 -0.19 0.00 -0.00 0.00 0.00 55.36 55.17 1dw3 s GLN 56 Cb 0.00 0.21 0.29 0.00 0.00 0.00 0.00 33.01 33.51 1dw3 s GLN 56 CO 0.00 -0.16 1.10 0.95 0.00 0.00 0.00 175.29 177.18 1dw3 s THR 57 N -1.62 1.59 0.57 3.63 -4.23 0.31 -4.32 115.64 111.57 1dw3 s THR 57 Ca 0.04 0.00 0.26 0.00 -1.18 0.00 0.00 61.69 60.81 1dw3 s THR 57 Cb -0.01 -2.47 0.33 0.00 1.34 0.00 0.00 72.50 71.69 1dw3 s THR 57 CO -0.03 0.00 2.22 0.03 -0.54 0.00 0.00 174.62 176.30 1dw3 h ARG 58 N -2.61 0.00 -0.02 3.99 3.08 -1.93 -1.26 114.38 115.62 1dw3 h ARG 58 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1dw3 h ARG 58 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1dw3 h ARG 58 CO 0.34 0.01 -0.01 0.25 -1.07 0.00 0.00 179.97 179.49 1dw3 n THR 59 N -4.03 0.00 -0.03 2.04 -2.24 -1.26 -4.94 114.28 103.82 1dw3 n THR 59 Ca -0.03 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1dw3 n THR 59 Cb 0.09 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1dw3 n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dw3 n GLY 60 N 1.27 0.74 3.75 3.38 0.00 -0.48 -5.08 105.19 108.78 1dw3 n GLY 60 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1dw3 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dw3 s LYS 61 N -0.97 4.67 0.31 1.61 3.01 -1.26 -4.71 119.74 122.41 1dw3 s LYS 61 Ca 0.00 1.74 -0.29 0.00 -1.01 0.00 0.00 55.97 56.41 1dw3 s LYS 61 Cb 0.00 -3.22 -0.10 0.00 -1.01 0.00 0.00 37.83 33.50 1dw3 s LYS 61 CO 0.00 0.25 1.31 -2.00 0.51 0.00 0.00 175.35 175.42 1dw3 s GLU 62 N -1.26 4.36 -0.08 1.68 2.56 -1.26 -0.53 118.70 124.17 1dw3 s GLU 62 Ca 0.44 2.20 0.05 0.00 0.00 0.00 0.00 54.97 57.67 1dw3 s GLU 62 Cb -0.31 -3.09 -0.01 0.00 2.00 0.00 0.00 34.13 32.73 1dw3 s GLU 62 CO 0.39 -0.20 -0.24 0.42 -0.56 0.00 0.00 175.26 175.06 1dw3 s ILE 63 N -0.95 2.13 0.69 -3.70 1.01 -0.68 -4.82 121.20 114.89 1dw3 s ILE 63 Ca 0.50 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 1dw3 s ILE 63 Cb -0.40 -1.79 0.01 0.00 0.01 0.00 0.00 42.46 40.30 1dw3 s ILE 63 CO 0.51 0.57 1.19 0.00 0.00 0.00 0.00 174.94 177.20 1dw3 s ALA 64 N 0.02 2.28 0.39 9.38 0.00 -1.26 -1.06 121.76 131.51 1dw3 s ALA 64 Ca -0.09 0.86 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 1dw3 s ALA 64 Cb -0.15 -3.44 -0.12 0.00 0.00 0.00 0.00 23.12 19.40 1dw3 s ALA 64 CO 0.06 -1.61 0.77 -2.30 0.00 0.00 0.00 175.76 172.68 1dw3 n PRO 65 N -2.40 0.91 0.19 0.00 -0.02 -1.26 -4.57 135.00 127.85 1dw3 n PRO 65 Ca 0.13 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1dw3 n PRO 65 Cb 0.50 -1.71 0.14 0.00 -0.02 0.00 0.00 33.50 32.41 1dw3 n PRO 65 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1dw3 h LEU 66 N 1.23 0.00 -9.61 2.45 3.38 -1.63 -3.42 115.31 107.71 1dw3 h LEU 66 Ca -0.41 -0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.03 1dw3 h LEU 66 Cb 1.37 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.15 1dw3 h LEU 66 CO 0.55 0.00 0.69 0.00 0.09 0.00 0.00 178.44 179.77 1dw3 s ALA 67 N -3.24 3.55 0.48 1.53 0.00 -0.87 -4.93 121.76 118.28 1dw3 s ALA 67 Ca 0.05 1.11 0.18 0.00 0.00 0.00 0.00 51.96 53.31 1dw3 s ALA 67 Cb 0.06 -3.51 1.23 0.00 0.00 0.00 0.00 23.12 20.91 1dw3 s ALA 67 CO 0.70 -0.57 2.07 -1.35 0.00 0.00 0.00 175.76 176.61 1dw3 h PRO 68 N 6.11 0.00 0.00 0.00 0.11 -1.76 -0.89 132.00 135.57 1dw3 h PRO 68 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1dw3 h PRO 68 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1dw3 h PRO 68 CO 0.82 0.11 -0.05 0.66 -0.21 0.00 0.00 178.00 179.33 1dw3 h SER 69 N 0.00 0.00 0.00 -2.05 4.64 -1.90 -3.13 113.55 111.11 1dw3 h SER 69 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 1dw3 h SER 69 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.24 1dw3 h SER 69 CO 0.01 0.05 -2.11 0.00 -0.87 0.00 0.00 176.83 173.91 1dw3 n ALA 70 N -2.38 1.60 -3.75 5.18 0.00 -0.49 -4.81 120.51 115.86 1dw3 n ALA 70 Ca -0.03 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 52.10 1dw3 n ALA 70 Cb 0.13 -0.07 -0.13 0.00 0.00 0.00 0.00 19.45 19.38 1dw3 n ALA 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dw3 s THR 71 N -2.39 1.53 0.52 0.00 2.01 -0.46 -4.95 115.64 111.90 1dw3 s THR 71 Ca -0.12 -2.56 0.28 0.00 0.31 0.00 0.00 61.69 59.60 1dw3 s THR 71 Cb 0.05 -2.08 0.44 0.00 0.01 0.00 0.00 72.50 70.93 1dw3 s THR 71 CO 0.62 -0.86 1.93 -0.65 -0.69 0.00 0.00 174.62 174.97 1dw3 h PRO 72 N 6.82 0.04 -0.84 4.92 0.11 -1.83 -2.73 132.00 138.49 1dw3 h PRO 72 Ca -0.03 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.82 1dw3 h PRO 72 Cb 0.93 -0.01 -0.15 0.00 0.11 0.00 0.00 31.00 31.88 1dw3 h PRO 72 CO 0.51 0.02 0.32 -0.40 -0.21 0.00 0.00 178.00 178.25 1dw3 n ASP 73 N -4.33 4.36 -4.75 -2.05 5.75 -1.26 -4.92 116.55 109.35 1dw3 n ASP 73 Ca 0.15 -3.16 -0.37 0.00 -0.01 0.00 0.00 54.79 51.40 1dw3 n ASP 73 Cb 0.80 -0.74 0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1dw3 n ASP 73 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dw3 s ARG 74 N -2.77 3.12 -1.48 0.11 1.81 -1.03 -3.15 118.95 115.56 1dw3 s ARG 74 Ca 0.50 2.02 -0.11 0.00 -1.72 0.00 0.00 55.73 56.41 1dw3 s ARG 74 Cb 0.40 -2.14 0.07 0.00 -0.45 0.00 0.00 34.95 32.83 1dw3 s ARG 74 CO 0.12 -1.14 0.98 1.19 -0.68 0.00 0.00 175.30 175.77 1dw3 n PHE 75 N -1.21 -2.34 -0.06 -0.53 3.72 -1.26 -4.71 117.46 111.07 1dw3 n PHE 75 Ca 0.11 0.91 0.00 0.00 -0.05 0.00 0.00 57.45 58.43 1dw3 n PHE 75 Cb 0.47 -4.18 0.00 0.00 -0.94 0.00 0.00 39.48 34.83 1dw3 n PHE 75 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1dw3 n THR 76 N -4.68 0.00 -3.95 4.37 -2.24 -1.19 -2.60 114.28 103.99 1dw3 n THR 76 Ca -0.01 -0.46 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 1dw3 n THR 76 Cb 0.55 1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.69 1dw3 n THR 76 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dw3 s ASP 77 N -0.10 4.07 0.22 3.42 -1.08 -1.26 -1.74 116.67 120.20 1dw3 s ASP 77 Ca 0.00 -1.36 -0.09 0.00 -0.52 0.00 0.00 52.55 50.58 1dw3 s ASP 77 Cb 0.00 -1.27 0.25 0.00 -1.46 0.00 0.00 42.92 40.44 1dw3 s ASP 77 CO 0.00 -0.26 1.83 0.28 0.52 0.00 0.00 175.17 177.54 1dw3 h SER 78 N 7.89 0.66 -0.72 -0.34 0.02 -1.92 -2.31 113.55 116.85 1dw3 h SER 78 Ca -0.16 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.76 1dw3 h SER 78 Cb 1.06 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1dw3 h SER 78 CO 0.44 0.44 0.25 0.00 -1.14 0.00 0.00 176.83 176.82 1dw3 h ALA 79 N 1.35 1.07 -0.24 3.77 0.00 -1.99 -1.91 119.26 121.31 1dw3 h ALA 79 Ca 0.31 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1dw3 h ALA 79 Cb 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dw3 h ALA 79 CO -0.16 0.64 -0.22 -0.09 0.00 0.00 0.00 179.25 179.42 1dw3 h ARG 80 N 1.07 0.57 -0.51 0.00 2.43 -1.91 -0.59 114.38 115.45 1dw3 h ARG 80 Ca 0.24 -0.30 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1dw3 h ARG 80 Cb 0.26 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1dw3 h ARG 80 CO -0.01 0.89 0.32 0.28 -1.51 0.00 0.00 179.97 179.93 1dw3 h VAL 81 N 0.28 1.09 -0.23 0.20 2.07 -1.35 -1.83 116.25 116.48 1dw3 h VAL 81 Ca 0.04 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 1dw3 h VAL 81 Cb 0.77 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1dw3 h VAL 81 CO 0.06 0.12 -0.42 -0.33 0.02 0.00 0.00 177.57 177.01 1dw3 h GLU 82 N 0.65 0.55 0.36 1.57 4.39 -1.20 -1.96 114.58 118.93 1dw3 h GLU 82 Ca 0.20 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1dw3 h GLU 82 Cb -0.03 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1dw3 h GLU 82 CO -0.07 0.87 -0.25 -0.22 -1.16 0.00 0.00 179.01 178.19 1dw3 h LYS 83 N 0.45 -0.57 -0.16 2.33 3.64 -0.80 -0.94 116.57 120.51 1dw3 h LYS 83 Ca 0.04 0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1dw3 h LYS 83 Cb 0.92 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1dw3 h LYS 83 CO 0.08 -0.38 -0.53 -1.49 -2.27 0.00 0.00 179.45 174.86 1dw3 h TRP 84 N -0.59 0.59 -0.57 1.91 4.06 -1.30 -2.04 115.95 118.00 1dw3 h TRP 84 Ca -0.03 -0.20 -0.11 0.00 2.06 0.00 0.00 58.89 60.61 1dw3 h TRP 84 Cb 0.50 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.53 1dw3 h TRP 84 CO -0.11 0.90 -0.06 -0.07 -3.56 0.00 0.00 178.44 175.54 1dw3 h LEU 85 N 0.37 1.04 0.33 -4.49 3.38 -1.36 0.44 115.31 115.01 1dw3 h LEU 85 Ca 0.01 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1dw3 h LEU 85 Cb 1.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1dw3 h LEU 85 CO 0.10 1.12 -0.16 1.23 0.09 0.00 0.00 178.44 180.81 1dw3 h GLY 86 N 0.96 -0.47 0.75 0.83 0.00 -0.96 -1.16 103.07 103.02 1dw3 h GLY 86 Ca 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1dw3 h GLY 86 CO 0.04 -0.17 -0.10 3.21 0.00 0.00 0.00 176.54 179.52 1dw3 h ARG 87 N -0.45 -0.27 -0.41 4.80 3.08 -1.20 -3.19 114.38 116.74 1dw3 h ARG 87 Ca -0.04 0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 1dw3 h ARG 87 Cb 0.35 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1dw3 h ARG 87 CO 0.07 0.00 -0.22 -0.91 -1.07 0.00 0.00 179.97 177.84 1dw3 h ASN 88 N -0.53 0.83 -0.25 7.04 2.35 -0.11 -2.33 115.58 122.57 1dw3 h ASN 88 Ca -0.03 -0.30 -0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1dw3 h ASN 88 Cb 0.40 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1dw3 h ASN 88 CO 0.05 1.02 0.03 0.00 -1.65 0.00 0.00 177.43 176.88 1dw3 h ASN 90 N 0.23 0.21 -0.21 0.00 4.21 -1.45 0.13 115.58 118.69 1dw3 h ASN 90 Ca 0.08 0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.59 1dw3 h ASN 90 Cb 0.35 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.52 1dw3 h ASN 90 CO 0.01 0.16 0.10 0.28 -1.29 0.00 0.00 177.43 176.68 1dw3 h SER 91 N 0.31 0.28 0.05 5.81 0.02 -1.33 -0.36 113.55 118.32 1dw3 h SER 91 Ca 0.13 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1dw3 h SER 91 Cb 0.06 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1dw3 h SER 91 CO -0.10 0.34 -0.02 0.58 -1.14 0.00 0.00 176.83 176.49 1dw3 h VAL 92 N 0.20 1.18 0.01 2.27 2.07 -1.23 0.33 116.25 121.08 1dw3 h VAL 92 Ca 0.07 -1.66 -0.30 0.00 0.82 0.00 0.00 66.70 65.64 1dw3 h VAL 92 Cb 0.14 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1dw3 h VAL 92 CO -0.01 0.36 -1.72 -0.38 0.02 0.00 0.00 177.57 175.84 1dw3 n ILE 93 N -4.75 1.62 0.00 4.57 5.41 0.42 -3.07 119.36 123.56 1dw3 n ILE 93 Ca -0.07 -0.79 0.00 0.00 1.00 0.00 0.00 62.75 62.89 1dw3 n ILE 93 Cb 0.31 -1.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.16 1dw3 n ILE 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dw3 n GLY 94 N 1.58 0.55 3.59 7.39 0.00 -0.15 -3.62 105.19 114.53 1dw3 n GLY 94 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 1dw3 n GLY 94 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dw3 s ARG 95 N -0.71 1.83 0.63 1.61 1.70 -1.25 -4.89 118.95 117.87 1dw3 s ARG 95 Ca 0.00 -1.50 -0.17 0.00 -0.47 0.00 0.00 55.73 53.59 1dw3 s ARG 95 Cb 0.00 0.49 -0.01 0.00 -0.57 0.00 0.00 34.95 34.85 1dw3 s ARG 95 CO 0.00 -0.78 1.14 -0.51 -1.08 0.00 0.00 175.30 174.07 1dw3 s ASP 96 N -3.12 5.17 0.33 -2.89 1.01 -1.26 -2.81 116.67 113.10 1dw3 s ASP 96 Ca 0.25 2.13 -0.27 0.00 0.71 0.00 0.00 52.55 55.37 1dw3 s ASP 96 Cb -0.01 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.25 1dw3 s ASP 96 CO 0.14 -1.60 1.07 0.00 0.21 0.00 0.00 175.17 175.00 1dw3 s THR 98 N -1.38 3.27 0.25 0.00 -4.23 -1.26 -4.82 115.64 107.47 1dw3 s THR 98 Ca 0.50 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 61.37 1dw3 s THR 98 Cb -0.27 -3.28 0.25 0.00 1.34 0.00 0.00 72.50 70.54 1dw3 s THR 98 CO 0.35 -0.54 1.91 -0.65 -0.54 0.00 0.00 174.62 175.15 1dw3 h PRO 99 N -0.88 1.23 -0.52 3.99 0.11 -1.93 0.69 132.00 134.70 1dw3 h PRO 99 Ca -0.46 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1dw3 h PRO 99 Cb 1.26 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1dw3 h PRO 99 CO 0.61 0.82 0.18 0.78 -0.21 0.00 0.00 178.00 180.18 1dw3 h GLY 100 N 1.27 0.81 1.11 -0.55 0.00 -1.90 -0.80 103.07 103.00 1dw3 h GLY 100 Ca 0.38 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1dw3 h GLY 100 CO -0.10 0.40 -0.40 0.83 0.00 0.00 0.00 176.54 177.26 1dw3 h GLU 101 N 0.75 0.89 -0.49 4.80 5.08 -1.60 -0.89 114.58 123.12 1dw3 h GLU 101 Ca 0.18 -0.49 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1dw3 h GLU 101 Cb 0.19 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1dw3 h GLU 101 CO -0.01 1.14 0.32 0.87 -1.00 0.00 0.00 179.01 180.33 1dw3 h LYS 102 N 0.69 0.65 0.04 2.33 1.57 -0.61 0.84 116.57 122.08 1dw3 h LYS 102 Ca 0.05 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1dw3 h LYS 102 Cb 1.00 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1dw3 h LYS 102 CO 0.10 0.43 -0.03 0.00 -0.57 0.00 0.00 179.45 179.38 1dw3 h ALA 103 N 1.18 -0.07 -0.47 3.86 0.00 -0.99 -1.86 119.26 120.91 1dw3 h ALA 103 Ca 0.18 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1dw3 h ALA 103 Cb -0.08 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1dw3 h ALA 103 CO -0.04 -0.54 0.19 -0.44 0.00 0.00 0.00 179.25 178.42 1dw3 h ASP 104 N -0.07 0.24 -0.41 0.00 3.45 -0.89 0.15 116.42 118.89 1dw3 h ASP 104 Ca -0.00 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1dw3 h ASP 104 Cb 0.06 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 1dw3 h ASP 104 CO 0.00 0.17 0.22 -0.07 -1.57 0.00 0.00 179.24 178.00 1dw3 h LEU 105 N 0.39 0.51 -0.47 1.55 3.38 -0.74 -2.33 115.31 117.60 1dw3 h LEU 105 Ca 0.21 -0.09 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1dw3 h LEU 105 Cb 0.18 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1dw3 h LEU 105 CO -0.19 0.45 -0.75 -0.07 0.09 0.00 0.00 178.44 177.96 1dw3 h LEU 106 N 0.52 0.20 -0.97 1.67 3.38 -1.11 0.03 115.31 119.03 1dw3 h LEU 106 Ca 0.14 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1dw3 h LEU 106 Cb 0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1dw3 h LEU 106 CO -0.02 0.88 0.64 0.00 0.09 0.00 0.00 178.44 180.03 1dw3 h ALA 107 N 1.12 1.23 -0.04 1.53 0.00 -0.47 -0.02 119.26 122.61 1dw3 h ALA 107 Ca -0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1dw3 h ALA 107 Cb 1.32 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.72 1dw3 h ALA 107 CO 0.11 0.63 -0.34 2.35 0.00 0.00 0.00 179.25 182.00 1dw3 h TRP 108 N 1.32 0.42 -0.74 0.00 7.01 -1.00 -3.29 115.95 119.66 1dw3 h TRP 108 Ca 0.36 -0.20 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1dw3 h TRP 108 Cb -0.15 -0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 26.81 1dw3 h TRP 108 CO -0.00 0.96 0.42 -0.07 -2.79 0.00 0.00 178.44 176.96 1dw3 h LEU 109 N -0.24 0.92 -1.80 0.65 3.38 -0.80 -2.70 115.31 114.72 1dw3 h LEU 109 Ca -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1dw3 h LEU 109 Cb 1.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1dw3 h LEU 109 CO 0.07 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.34 1dw3 h ALA 110 N 1.21 1.00 -0.03 1.53 0.00 -1.12 -2.49 119.26 119.36 1dw3 h ALA 110 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1dw3 h ALA 110 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1dw3 h ALA 110 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1dw3 n ALA 111 N -2.06 2.57 1.49 0.00 0.00 -1.02 -4.73 120.51 116.76 1dw3 n ALA 111 Ca -0.00 -0.45 0.14 0.00 0.00 0.00 0.00 53.44 53.13 1dw3 n ALA 111 Cb 0.23 -1.16 0.51 0.00 0.00 0.00 0.00 19.45 19.04 1dw3 n ALA 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54