#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wdv h LYS 4 N 0.00 0.47 -0.60 3.49 1.57 -1.93 -1.36 116.57 118.21 1wdv h LYS 4 Ca 0.00 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 1wdv h LYS 4 Cb 0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1wdv h LYS 4 CO 0.00 0.31 -0.01 0.28 -0.57 0.00 0.00 179.45 179.46 1wdv h VAL 5 N 0.48 1.27 -0.80 0.50 2.07 -1.90 -1.79 116.25 116.08 1wdv h VAL 5 Ca 0.20 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1wdv h VAL 5 Cb 0.10 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1wdv h VAL 5 CO -0.14 0.42 0.48 -0.33 0.02 0.00 0.00 177.57 178.02 1wdv h GLU 6 N 0.96 1.09 -0.56 1.57 3.07 -1.79 -1.33 114.58 117.60 1wdv h GLU 6 Ca 0.17 -0.10 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 1wdv h GLU 6 Cb 0.57 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1wdv h GLU 6 CO 0.03 0.77 0.01 0.93 -1.40 0.00 0.00 179.01 179.36 1wdv h GLU 7 N 1.10 0.96 -0.40 2.33 5.08 -1.03 -1.61 114.58 121.00 1wdv h GLU 7 Ca 0.29 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wdv h GLU 7 Cb -0.03 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1wdv h GLU 7 CO -0.05 0.94 0.15 2.35 -1.00 0.00 0.00 179.01 181.40 1wdv h TRP 8 N 0.88 0.61 -0.04 4.33 7.01 -0.80 -0.95 115.95 127.00 1wdv h TRP 8 Ca 0.16 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 1wdv h TRP 8 Cb 0.50 -0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1wdv h TRP 8 CO 0.03 0.55 0.02 0.82 -2.79 0.00 0.00 178.44 177.07 1wdv h ILE 9 N 0.50 1.07 -0.53 2.65 2.04 -1.14 -3.02 117.51 119.09 1wdv h ILE 9 Ca 0.13 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1wdv h ILE 9 Cb 0.20 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1wdv h ILE 9 CO -0.01 0.06 0.18 0.50 0.00 0.00 0.00 178.15 178.87 1wdv h LYS 10 N -0.02 0.77 0.00 2.37 3.64 -1.17 -1.83 116.57 120.32 1wdv h LYS 10 Ca 0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1wdv h LYS 10 Cb 0.07 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1wdv h LYS 10 CO -0.00 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.84 1wdv h ALA 11 N 1.44 1.00 -0.14 5.00 0.00 -1.05 -2.32 119.26 123.19 1wdv h ALA 11 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1wdv h ALA 11 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1wdv h ALA 11 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1wdv n ARG 12 N -2.88 1.71 -2.13 0.00 1.74 -0.75 -5.00 116.66 109.34 1wdv n ARG 12 Ca -0.01 -1.48 -0.17 0.00 -0.77 0.00 0.00 57.85 55.42 1wdv n ARG 12 Cb 0.18 -1.17 -0.02 0.00 -1.02 0.00 0.00 32.46 30.43 1wdv n ARG 12 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wdv n GLY 13 N 0.28 0.13 3.87 -0.13 0.00 -0.83 -5.00 105.19 103.52 1wdv n GLY 13 Ca 0.06 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1wdv n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wdv s LEU 14 N -4.67 3.19 0.00 0.99 1.43 -0.85 -5.00 118.68 113.76 1wdv s LEU 14 Ca 0.00 1.39 0.15 0.00 -1.03 0.00 0.00 54.13 54.64 1wdv s LEU 14 Cb 0.00 -4.40 0.30 0.00 0.03 0.00 0.00 46.19 42.12 1wdv s LEU 14 CO 0.00 -0.93 1.20 0.35 0.23 0.00 0.00 176.35 177.20 1wdv n THR 15 N -2.79 0.58 -1.69 5.49 -2.24 -1.26 -4.73 114.28 107.64 1wdv n THR 15 Ca 0.06 -0.79 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1wdv n THR 15 Cb 0.54 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1wdv n THR 15 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1wdv n TRP 16 N 0.90 2.05 -4.00 4.78 8.01 -1.26 -4.99 117.44 122.93 1wdv n TRP 16 Ca 0.13 0.52 -0.36 0.00 -1.31 0.00 0.00 57.50 56.48 1wdv n TRP 16 Cb 0.45 -2.37 -0.07 0.00 -2.01 0.00 0.00 31.31 27.32 1wdv n TRP 16 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.69 177.71 1wdv s ARG 17 N -2.14 3.31 -0.20 -0.99 0.52 -1.15 -4.97 118.95 113.34 1wdv s ARG 17 Ca 0.60 -0.24 -0.11 0.00 -0.52 0.00 0.00 55.73 55.46 1wdv s ARG 17 Cb -0.52 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 1wdv s ARG 17 CO 0.58 0.74 0.19 -0.51 0.02 0.00 0.00 175.30 176.33 1wdv s LEU 18 N -1.18 4.20 -0.27 2.53 1.43 -1.26 -0.80 118.68 123.33 1wdv s LEU 18 Ca 0.17 0.29 -0.09 0.00 -1.03 0.00 0.00 54.13 53.47 1wdv s LEU 18 Cb -0.12 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1wdv s LEU 18 CO 0.06 0.12 0.13 -0.76 0.23 0.00 0.00 176.35 176.14 1wdv s LEU 19 N 0.58 3.74 0.74 1.79 1.43 0.69 -4.93 118.68 122.72 1wdv s LEU 19 Ca 0.11 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 1wdv s LEU 19 Cb -0.12 -2.02 0.04 0.00 0.03 0.00 0.00 46.19 44.12 1wdv s LEU 19 CO 0.01 -0.05 1.11 -0.63 0.23 0.00 0.00 176.35 177.03 1wdv s ILE 20 N 1.68 2.92 -0.10 -0.59 1.01 -1.26 -1.30 121.20 123.55 1wdv s ILE 20 Ca 0.07 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.06 1wdv s ILE 20 Cb -0.16 -3.29 -0.12 0.00 0.01 0.00 0.00 42.46 38.90 1wdv s ILE 20 CO 0.07 -0.37 0.03 0.00 0.00 0.00 0.00 174.94 174.66 1wdv n GLN 22 N -3.10 2.23 -3.92 2.79 6.02 -1.26 -5.00 117.38 115.13 1wdv n GLN 22 Ca 0.07 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 1wdv n GLN 22 Cb 0.59 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.54 1wdv n GLN 22 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1wdv s LYS 23 N -2.25 1.57 0.25 -1.09 -2.85 -1.26 -5.12 119.74 108.99 1wdv s LYS 23 Ca -0.06 -1.13 -0.31 0.00 -1.00 0.00 0.00 55.97 53.48 1wdv s LYS 23 Cb 0.03 0.51 -0.13 0.00 -2.06 0.00 0.00 37.83 36.18 1wdv s LYS 23 CO 0.41 -0.67 1.48 -2.30 0.10 0.00 0.00 175.35 174.37 1wdv n PRO 24 N -0.39 2.26 -3.87 1.78 -0.02 -1.26 -4.72 135.00 128.77 1wdv n PRO 24 Ca -0.04 0.80 -0.30 0.00 -2.02 0.00 0.00 63.50 61.95 1wdv n PRO 24 Cb 0.61 -2.51 -0.15 0.00 -0.02 0.00 0.00 33.50 31.43 1wdv n PRO 24 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1wdv s THR 25 N 0.02 1.35 -0.02 3.45 2.01 -0.83 -4.96 115.64 116.65 1wdv s THR 25 Ca 0.67 -1.34 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1wdv s THR 25 Cb -0.60 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.17 1wdv s THR 25 CO 0.48 -0.33 0.89 -2.11 -0.69 0.00 0.00 174.62 172.87 1wdv n ARG 26 N 4.70 1.47 -4.49 4.92 1.85 -1.26 -4.87 116.66 118.99 1wdv n ARG 26 Ca -0.07 -1.37 -0.21 0.00 -1.00 0.00 0.00 57.85 55.20 1wdv n ARG 26 Cb 0.44 -0.89 -0.14 0.00 -1.05 0.00 0.00 32.46 30.81 1wdv n ARG 26 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1wdv s THR 27 N -0.96 1.13 0.19 8.89 -1.32 -1.26 -4.79 115.64 117.53 1wdv s THR 27 Ca 0.06 -0.84 -0.12 0.00 -1.21 0.00 0.00 61.69 59.59 1wdv s THR 27 Cb 0.05 -0.99 0.12 0.00 -1.51 0.00 0.00 72.50 70.17 1wdv s THR 27 CO 0.01 0.14 1.73 0.58 -2.21 0.00 0.00 174.62 174.87 1wdv h VAL 28 N 4.62 0.76 -0.43 5.08 2.07 -1.96 -2.27 116.25 124.12 1wdv h VAL 28 Ca -0.37 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1wdv h VAL 28 Cb 1.17 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1wdv h VAL 28 CO 0.46 0.06 0.16 0.00 0.02 0.00 0.00 177.57 178.27 1wdv h ALA 29 N 1.39 0.52 -0.35 1.67 0.00 -1.97 -0.40 119.26 120.13 1wdv h ALA 29 Ca 0.27 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1wdv h ALA 29 Cb 0.34 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1wdv h ALA 29 CO -0.30 -0.22 0.21 0.93 0.00 0.00 0.00 179.25 179.86 1wdv h GLU 30 N 0.34 0.47 -0.02 0.00 5.08 -1.92 -1.61 114.58 116.92 1wdv h GLU 30 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1wdv h GLU 30 Cb 0.18 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1wdv h GLU 30 CO -0.20 0.37 0.01 0.00 -1.00 0.00 0.00 179.01 178.19 1wdv h ALA 31 N 1.08 0.02 -0.44 3.43 0.00 -1.06 -1.47 119.26 120.83 1wdv h ALA 31 Ca 0.12 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1wdv h ALA 31 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1wdv h ALA 31 CO -0.02 -0.48 0.22 0.00 0.00 0.00 0.00 179.25 178.97 1wdv h ALA 32 N 1.01 1.56 0.07 0.00 0.00 -0.91 -1.42 119.26 119.56 1wdv h ALA 32 Ca 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wdv h ALA 32 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1wdv h ALA 32 CO -0.00 0.36 -0.03 0.00 0.00 0.00 0.00 179.25 179.58 1wdv h ALA 33 N 1.63 -0.10 -0.20 0.00 0.00 -0.92 0.17 119.26 119.84 1wdv h ALA 33 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1wdv h ALA 33 Cb 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wdv h ALA 33 CO -0.02 -0.40 0.09 -0.07 0.00 0.00 0.00 179.25 178.85 1wdv h LEU 34 N -0.41 0.12 -0.91 0.00 3.38 -0.98 -2.42 115.31 114.09 1wdv h LEU 34 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1wdv h LEU 34 Cb 0.35 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wdv h LEU 34 CO 0.02 0.10 -0.05 -0.07 0.09 0.00 0.00 178.44 178.53 1wdv h LEU 35 N 0.19 0.00 -1.10 1.67 3.38 -1.30 -3.47 115.31 114.68 1wdv h LEU 35 Ca 0.08 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.77 1wdv h LEU 35 Cb 0.03 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.89 1wdv h LEU 35 CO -0.07 0.05 -0.53 0.61 0.09 0.00 0.00 178.44 178.59 1wdv n GLY 36 N 0.42 -0.17 3.47 0.83 0.00 0.53 -5.03 105.19 105.24 1wdv n GLY 36 Ca 0.02 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1wdv n GLY 36 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wdv s VAL 37 N -3.25 1.32 0.58 1.61 -7.23 -0.81 -5.05 120.40 107.57 1wdv s VAL 37 Ca 0.33 -2.01 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 1wdv s VAL 37 Cb -0.15 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1wdv s VAL 37 CO 0.55 -0.02 1.12 -0.55 -0.31 0.00 0.00 175.10 175.89 1wdv s SER 38 N -3.51 5.56 0.63 4.85 0.15 -1.26 -4.62 113.70 115.50 1wdv s SER 38 Ca 0.36 2.11 0.41 0.00 0.70 0.00 0.00 55.95 59.52 1wdv s SER 38 Cb 0.09 -2.57 2.13 0.00 -1.71 0.00 0.00 66.02 63.96 1wdv s SER 38 CO 0.16 -1.33 2.27 -0.33 1.20 0.00 0.00 173.24 175.21 1wdv h GLU 39 N 0.84 0.00 0.00 5.44 5.08 -1.92 -0.29 114.58 123.73 1wdv h GLU 39 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1wdv h GLU 39 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1wdv h GLU 39 CO 0.56 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 177.45 1wdv n SER 40 N -3.16 0.00 -0.44 1.42 3.41 -1.26 -2.44 113.62 111.15 1wdv n SER 40 Ca -0.02 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1wdv n SER 40 Cb 0.13 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 1wdv n SER 40 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wdv n GLU 41 N -1.41 1.07 -3.77 4.33 1.02 -0.12 -4.54 120.64 117.23 1wdv n GLU 41 Ca 0.07 -0.88 -0.30 0.00 -0.02 0.00 0.00 57.16 56.03 1wdv n GLU 41 Cb 0.22 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 1wdv n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wdv s ILE 42 N -2.53 5.25 0.16 -3.67 -1.09 -1.02 -1.21 121.20 117.09 1wdv s ILE 42 Ca 0.18 -0.26 0.09 0.00 -2.23 0.00 0.00 60.65 58.43 1wdv s ILE 42 Cb 0.18 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.35 1wdv s ILE 42 CO 0.60 -0.01 -0.19 0.68 -1.23 0.00 0.00 174.94 174.80 1wdv s VAL 43 N -1.69 1.85 -0.09 2.92 -7.23 0.12 -0.00 120.40 116.29 1wdv s VAL 43 Ca 0.38 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1wdv s VAL 43 Cb -0.12 -1.85 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 1wdv s VAL 43 CO 0.27 -0.29 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.12 1wdv s LYS 44 N -2.76 2.97 -0.39 4.82 1.02 -0.06 -4.66 119.74 120.69 1wdv s LYS 44 Ca 0.16 -0.63 -0.11 0.00 0.02 0.00 0.00 55.97 55.41 1wdv s LYS 44 Cb -0.06 -2.58 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 1wdv s LYS 44 CO 0.07 0.47 0.23 0.99 -0.92 0.00 0.00 175.35 176.19 1wdv s THR 45 N -0.30 4.51 -0.14 2.17 2.01 -1.26 -1.21 115.64 121.42 1wdv s THR 45 Ca 0.03 -1.03 -0.09 0.00 0.31 0.00 0.00 61.69 60.92 1wdv s THR 45 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1wdv s THR 45 CO 0.03 -0.33 0.16 -0.76 -0.69 0.00 0.00 174.62 173.02 1wdv s LEU 46 N 1.52 4.33 -0.13 4.42 1.43 0.35 -4.76 118.68 125.84 1wdv s LEU 46 Ca 0.02 0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 53.36 1wdv s LEU 46 Cb -0.21 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1wdv s LEU 46 CO 0.05 0.32 0.48 -0.63 0.23 0.00 0.00 176.35 176.80 1wdv s ILE 47 N -0.51 5.18 -0.02 -0.59 -1.09 -1.26 -0.07 121.20 122.85 1wdv s ILE 47 Ca 0.13 0.95 0.07 0.00 -2.23 0.00 0.00 60.65 59.57 1wdv s ILE 47 Cb -0.12 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1wdv s ILE 47 CO 0.02 0.31 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.14 1wdv s VAL 48 N 0.72 1.72 -0.08 2.92 1.01 -0.29 -0.97 120.40 125.43 1wdv s VAL 48 Ca 0.26 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1wdv s VAL 48 Cb -0.15 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1wdv s VAL 48 CO 0.10 0.49 -0.23 -0.76 0.00 0.00 0.00 175.10 174.70 1wdv s LEU 49 N -0.49 2.20 0.61 3.92 1.43 -0.07 -0.64 118.68 125.64 1wdv s LEU 49 Ca 0.08 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1wdv s LEU 49 Cb -0.09 -1.43 0.07 0.00 0.03 0.00 0.00 46.19 44.78 1wdv s LEU 49 CO -0.01 0.21 0.86 1.51 0.23 0.00 0.00 176.35 179.15 1wdv s ASP 50 N 0.03 4.91 -0.01 2.29 1.47 -0.11 -1.25 116.67 124.00 1wdv s ASP 50 Ca -0.09 -0.22 0.04 0.00 1.18 0.00 0.00 52.55 53.46 1wdv s ASP 50 Cb -0.15 -0.44 0.13 0.00 -0.34 0.00 0.00 42.92 42.11 1wdv s ASP 50 CO 0.05 -1.43 0.98 -0.46 0.68 0.00 0.00 175.17 175.00 1wdv n ASN 51 N -2.51 1.09 -0.31 2.11 6.94 -0.41 -3.43 115.26 118.72 1wdv n ASN 51 Ca 0.11 -2.05 0.07 0.00 -0.02 0.00 0.00 54.58 52.69 1wdv n ASN 51 Cb 0.60 -0.23 0.12 0.00 -2.36 0.00 0.00 39.78 37.91 1wdv n ASN 51 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wdv n ALA 52 N -0.03 2.45 -0.14 -2.53 0.00 -1.26 -4.98 120.51 114.02 1wdv n ALA 52 Ca 0.05 -2.43 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1wdv n ALA 52 Cb 0.21 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1wdv n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wdv n GLY 53 N -1.02 1.13 3.76 0.00 0.00 -1.22 -5.04 105.19 102.80 1wdv n GLY 53 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1wdv n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdv s GLY 54 N -1.82 3.03 -0.04 -0.02 0.00 -1.26 -4.88 107.32 102.33 1wdv s GLY 54 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 44.72 45.74 1wdv s GLY 54 CO 0.00 1.56 -0.22 0.14 0.00 0.00 0.00 173.10 174.57 1wdv s VAL 55 N -1.19 1.78 0.04 1.40 1.01 -1.26 -0.94 120.40 121.24 1wdv s VAL 55 Ca 0.46 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1wdv s VAL 55 Cb -0.33 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1wdv s VAL 55 CO 0.42 0.50 -0.13 -0.31 0.00 0.00 0.00 175.10 175.59 1wdv s TYR 56 N -0.28 1.13 -0.24 5.22 1.51 0.19 -1.25 117.35 123.63 1wdv s TYR 56 Ca 0.02 -0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 1wdv s TYR 56 Cb -0.11 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.09 1wdv s TYR 56 CO 0.01 0.02 -0.05 0.00 -1.11 0.00 0.00 175.55 174.43 1wdv s ALA 57 N -0.92 2.74 -0.26 3.71 0.00 0.03 -1.13 121.76 125.93 1wdv s ALA 57 Ca -0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 1wdv s ALA 57 Cb -0.08 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.34 1wdv s ALA 57 CO 0.01 -0.73 0.00 0.08 0.00 0.00 0.00 175.76 175.13 1wdv s VAL 58 N 1.37 3.43 -0.31 0.00 1.01 0.90 -0.74 120.40 126.06 1wdv s VAL 58 Ca 0.02 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.01 1wdv s VAL 58 Cb -0.16 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1wdv s VAL 58 CO -0.04 0.18 0.58 -0.69 0.00 0.00 0.00 175.10 175.14 1wdv s VAL 59 N 1.42 4.97 0.25 2.92 1.01 0.01 -0.50 120.40 130.49 1wdv s VAL 59 Ca 0.02 0.72 0.04 0.00 0.00 0.00 0.00 61.98 62.76 1wdv s VAL 59 Cb -0.16 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1wdv s VAL 59 CO -0.01 -0.13 0.01 0.27 0.00 0.00 0.00 175.10 175.24 1wdv s ILE 60 N 2.52 1.05 0.54 2.22 -4.36 -0.35 -1.51 121.20 121.31 1wdv s ILE 60 Ca 0.23 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.38 1wdv s ILE 60 Cb -0.15 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 41.06 1wdv s ILE 60 CO 0.12 -0.24 1.28 -2.84 0.24 0.00 0.00 174.94 173.50 1wdv s PRO 61 N -3.88 3.21 0.58 0.37 0.02 -1.26 -0.88 135.00 133.17 1wdv s PRO 61 Ca 0.31 2.05 0.28 0.00 0.02 0.00 0.00 61.00 63.66 1wdv s PRO 61 Cb 0.06 -2.20 1.75 0.00 0.02 0.00 0.00 34.50 34.13 1wdv s PRO 61 CO 0.10 -1.08 2.23 0.78 -0.33 0.00 0.00 177.00 178.71 1wdv h GLY 62 N 1.43 0.00 -1.71 0.52 0.00 -0.28 -2.00 103.07 101.02 1wdv h GLY 62 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1wdv h GLY 62 CO 0.57 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.20 1wdv n ASP 63 N -3.89 2.64 -3.91 0.19 5.75 -1.20 -4.92 116.55 111.20 1wdv n ASP 63 Ca -0.03 -1.93 -0.23 0.00 -0.01 0.00 0.00 54.79 52.60 1wdv n ASP 63 Cb 0.09 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 39.88 1wdv n ASP 63 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1wdv n LYS 64 N 0.94 1.12 -4.21 0.11 4.76 -0.75 -5.06 118.16 115.07 1wdv n LYS 64 Ca 0.17 -2.63 -0.12 0.00 -2.87 0.00 0.00 58.31 52.86 1wdv n LYS 64 Cb 0.45 0.69 -0.10 0.00 -1.84 0.00 0.00 35.03 34.22 1wdv n LYS 64 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1wdv s ARG 65 N -3.32 1.03 0.17 1.97 1.70 -1.26 -4.89 118.95 114.35 1wdv s ARG 65 Ca 0.01 -1.48 -0.31 0.00 -0.47 0.00 0.00 55.73 53.48 1wdv s ARG 65 Cb -0.00 -0.17 -0.09 0.00 -0.57 0.00 0.00 34.95 34.12 1wdv s ARG 65 CO 0.01 -0.13 1.38 -1.17 -1.08 0.00 0.00 175.30 174.31 1wdv s LEU 66 N -3.13 4.39 -0.60 -1.89 2.96 -1.26 -0.74 118.68 118.41 1wdv s LEU 66 Ca 0.22 2.44 -0.23 0.00 -0.22 0.00 0.00 54.13 56.34 1wdv s LEU 66 Cb 0.06 -3.60 0.06 0.00 0.50 0.00 0.00 46.19 43.21 1wdv s LEU 66 CO 0.02 -0.63 0.92 0.21 -1.32 0.00 0.00 176.35 175.55 1wdv s ASN 67 N 0.70 6.25 0.18 3.68 3.84 0.47 -4.74 114.94 125.31 1wdv s ASN 67 Ca 0.61 -0.72 -0.13 0.00 0.21 0.00 0.00 52.86 52.83 1wdv s ASN 67 Cb -0.38 -2.41 0.14 0.00 -0.55 0.00 0.00 41.25 38.04 1wdv s ASN 67 CO 0.35 -1.30 1.77 0.40 -2.79 0.00 0.00 177.10 175.54 1wdv h ILE 68 N 5.98 0.92 -0.74 -5.21 1.08 -1.93 -2.54 117.51 115.07 1wdv h ILE 68 Ca -0.28 -0.15 0.07 0.00 -0.39 0.00 0.00 64.86 64.11 1wdv h ILE 68 Cb 1.07 0.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.21 1wdv h ILE 68 CO 1.12 0.08 0.43 -1.13 -0.69 0.00 0.00 178.15 177.96 1wdv h ASN 69 N 0.43 0.64 0.00 1.72 -0.00 -1.98 0.72 115.58 117.12 1wdv h ASN 69 Ca 0.22 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.55 1wdv h ASN 69 Cb 0.17 -0.10 0.00 0.00 -0.00 0.00 0.00 38.32 38.39 1wdv h ASN 69 CO -0.18 0.40 0.00 -1.20 -0.00 0.00 0.00 177.43 176.45 1wdv n SER 70 N -4.74 0.56 0.00 1.15 7.64 -0.96 -1.43 113.62 115.84 1wdv n SER 70 Ca 0.10 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.49 1wdv n SER 70 Cb 0.19 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1wdv n SER 70 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1wdv n LYS 72 N 0.69 0.00 -0.23 1.43 4.81 0.25 -1.21 118.16 123.89 1wdv n LYS 72 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1wdv n LYS 72 Cb 0.10 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.22 1wdv n LYS 72 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wdv h GLU 73 N 0.00 1.09 -0.24 1.64 5.08 -1.50 0.39 114.58 121.03 1wdv h GLU 73 Ca 0.00 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1wdv h GLU 73 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1wdv h GLU 73 CO 0.00 0.97 0.04 1.25 -1.00 0.00 0.00 179.01 180.27 1wdv h LEU 74 N 1.03 0.38 -0.87 1.33 5.85 -1.42 -2.86 115.31 118.75 1wdv h LEU 74 Ca 0.21 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 1wdv h LEU 74 Cb 0.39 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1wdv h LEU 74 CO 0.01 0.54 -0.47 0.00 -0.34 0.00 0.00 178.44 178.18 1wdv h ALA 75 N 0.86 1.00 -0.08 1.25 0.00 -1.78 -3.46 119.26 117.04 1wdv h ALA 75 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1wdv h ALA 75 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1wdv h ALA 75 CO 0.00 0.59 -0.03 0.41 0.00 0.00 0.00 179.25 180.22 1wdv n GLY 76 N 0.22 0.50 3.28 0.00 0.00 0.14 -4.98 105.19 104.34 1wdv n GLY 76 Ca -0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1wdv n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wdv s LYS 77 N -1.14 0.98 0.35 1.61 1.02 -1.17 -5.03 119.74 116.37 1wdv s LYS 77 Ca 0.00 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 54.93 1wdv s LYS 77 Cb 0.00 0.42 -0.12 0.00 -0.52 0.00 0.00 37.83 37.62 1wdv s LYS 77 CO 0.00 -0.36 1.46 -2.30 -0.92 0.00 0.00 175.35 173.23 1wdv n PRO 78 N -0.12 2.54 -4.28 -1.68 -0.02 -1.26 -4.58 135.00 125.60 1wdv n PRO 78 Ca -0.16 0.89 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1wdv n PRO 78 Cb 0.63 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 1wdv n PRO 78 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1wdv s VAL 79 N -0.87 0.93 0.10 -1.45 -7.23 -1.26 -1.29 120.40 109.32 1wdv s VAL 79 Ca 0.56 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 58.54 1wdv s VAL 79 Cb -0.51 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1wdv s VAL 79 CO 0.60 -0.49 0.41 0.00 -0.31 0.00 0.00 175.10 175.32 1wdv s ARG 80 N -3.85 1.03 0.34 4.82 1.70 -0.38 -4.99 118.95 117.62 1wdv s ARG 80 Ca 0.24 -0.60 -0.27 0.00 -0.47 0.00 0.00 55.73 54.62 1wdv s ARG 80 Cb 0.05 0.46 -0.09 0.00 -0.57 0.00 0.00 34.95 34.80 1wdv s ARG 80 CO 0.05 -0.39 1.15 -0.51 -1.08 0.00 0.00 175.30 174.51 1wdv s LEU 81 N -2.57 4.38 0.37 -1.89 1.43 -1.26 -0.89 118.68 118.24 1wdv s LEU 81 Ca 0.01 2.34 -0.26 0.00 -1.03 0.00 0.00 54.13 55.18 1wdv s LEU 81 Cb 0.01 -3.81 -0.09 0.00 0.03 0.00 0.00 46.19 42.34 1wdv s LEU 81 CO -0.09 -0.40 1.13 0.00 0.23 0.00 0.00 176.35 177.21 1wdv s ALA 82 N -1.29 3.22 0.75 4.21 0.00 -0.14 -4.80 121.76 123.71 1wdv s ALA 82 Ca 0.50 0.90 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1wdv s ALA 82 Cb -0.32 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.50 1wdv s ALA 82 CO 0.41 -0.37 1.12 1.03 0.00 0.00 0.00 175.76 177.95 1wdv s ARG 83 N -2.11 2.44 0.24 0.00 0.52 -1.26 -4.77 118.95 114.01 1wdv s ARG 83 Ca 0.54 0.38 -0.06 0.00 -0.52 0.00 0.00 55.73 56.07 1wdv s ARG 83 Cb -0.29 -1.98 0.44 0.00 0.52 0.00 0.00 34.95 33.63 1wdv s ARG 83 CO 0.37 -1.31 1.68 0.00 0.02 0.00 0.00 175.30 176.07 1wdv h ALA 84 N -0.86 0.91 -0.51 2.13 0.00 -2.00 -0.25 119.26 118.68 1wdv h ALA 84 Ca -0.46 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1wdv h ALA 84 Cb 1.28 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1wdv h ALA 84 CO 0.64 -0.34 0.11 -2.95 0.00 0.00 0.00 179.25 176.71 1wdv h ASN 85 N 0.26 0.73 -0.20 0.00 -1.07 -2.00 -2.42 115.58 110.88 1wdv h ASN 85 Ca 0.40 -0.13 -0.14 0.00 0.07 0.00 0.00 56.30 56.50 1wdv h ASN 85 Cb 0.68 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 36.73 1wdv h ASN 85 CO -0.51 0.73 -0.36 -0.33 0.07 0.00 0.00 177.43 177.04 1wdv h GLU 86 N 0.76 0.73 -0.13 4.14 5.08 -1.46 -1.58 114.58 122.10 1wdv h GLU 86 Ca 0.17 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1wdv h GLU 86 Cb 0.30 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1wdv h GLU 86 CO 0.00 0.97 0.09 0.28 -1.00 0.00 0.00 179.01 179.35 1wdv h VAL 87 N 0.61 1.05 -0.16 3.13 2.07 -0.74 -0.18 116.25 122.02 1wdv h VAL 87 Ca 0.06 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 1wdv h VAL 87 Cb 0.89 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1wdv h VAL 87 CO 0.08 0.05 0.08 0.58 0.02 0.00 0.00 177.57 178.37 1wdv h VAL 88 N 0.17 1.13 -0.53 2.57 2.07 -1.38 -1.05 116.25 119.22 1wdv h VAL 88 Ca 0.05 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1wdv h VAL 88 Cb 0.00 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1wdv h VAL 88 CO -0.01 0.12 0.34 -0.33 0.02 0.00 0.00 177.57 177.71 1wdv h GLU 89 N 0.13 0.71 0.00 1.57 5.08 -1.13 -1.99 114.58 118.94 1wdv h GLU 89 Ca 0.05 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1wdv h GLU 89 Cb 0.12 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1wdv h GLU 89 CO -0.01 0.49 -1.04 -0.07 -1.00 0.00 0.00 179.01 177.38 1wdv h LEU 90 N 0.72 0.00 0.00 1.33 3.38 -0.95 -3.39 115.31 116.40 1wdv h LEU 90 Ca 0.19 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1wdv h LEU 90 Cb -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1wdv h LEU 90 CO -0.04 0.96 -1.86 0.35 0.09 0.00 0.00 178.44 177.94 1wdv n THR 91 N -3.31 0.66 -0.83 0.22 -2.24 -0.41 -4.68 114.28 103.69 1wdv n THR 91 Ca -0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 1wdv n THR 91 Cb 0.94 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1wdv n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdv n GLY 92 N 2.01 0.56 3.29 3.38 0.00 -0.75 -4.47 105.19 109.21 1wdv n GLY 92 Ca -0.16 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1wdv n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wdv s TYR 93 N -2.00 1.67 0.64 1.61 1.51 -1.26 -5.09 117.35 114.42 1wdv s TYR 93 Ca 0.00 -0.49 -0.15 0.00 -1.01 0.00 0.00 57.07 55.43 1wdv s TYR 93 Cb 0.00 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.98 1wdv s TYR 93 CO 0.00 0.24 1.07 -1.25 -1.11 0.00 0.00 175.55 174.51 1wdv s PRO 94 N -2.58 3.06 0.33 -1.71 0.04 -1.26 -4.01 135.00 128.87 1wdv s PRO 94 Ca 0.11 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 1wdv s PRO 94 Cb -0.06 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 1wdv s PRO 94 CO 0.05 -1.02 1.57 0.28 0.04 0.00 0.00 177.00 177.92 1wdv n VAL 95 N -2.36 1.38 -0.99 -0.36 0.31 -1.26 -1.00 118.33 114.04 1wdv n VAL 95 Ca 0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1wdv n VAL 95 Cb 0.53 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.46 1wdv n VAL 95 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wdv n GLY 96 N 1.54 0.43 0.90 2.92 0.00 -1.26 -4.83 105.19 104.89 1wdv n GLY 96 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1wdv n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdv n GLY 97 N -2.21 1.55 3.67 -0.02 0.00 -0.17 -4.70 105.19 103.32 1wdv n GLY 97 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 1wdv n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wdv s VAL 98 N -0.57 4.87 0.59 1.61 1.01 -1.23 -4.53 120.40 122.16 1wdv s VAL 98 Ca 0.21 1.66 -0.08 0.00 0.00 0.00 0.00 61.98 63.76 1wdv s VAL 98 Cb 0.23 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1wdv s VAL 98 CO -0.08 0.01 0.95 -2.16 0.00 0.00 0.00 175.10 173.83 1wdv s PRO 99 N 2.21 3.28 0.00 2.72 0.04 -1.26 -4.17 135.00 137.82 1wdv s PRO 99 Ca 0.39 0.37 0.29 0.00 0.04 0.00 0.00 61.00 62.09 1wdv s PRO 99 Cb -0.16 -2.19 1.26 0.00 0.04 0.00 0.00 34.50 33.44 1wdv s PRO 99 CO 0.12 -0.59 1.93 -0.35 0.04 0.00 0.00 177.00 178.15 1wdv n PRO 100 N -2.63 0.06 -4.26 0.56 -0.04 -1.26 -4.87 135.00 122.56 1wdv n PRO 100 Ca 0.04 -0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.33 1wdv n PRO 100 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 1wdv n PRO 100 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1wdv s VAL 101 N -2.94 0.03 -1.35 0.52 -7.23 -1.26 -4.85 120.40 103.32 1wdv s VAL 101 Ca 0.16 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1wdv s VAL 101 Cb 0.19 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1wdv s VAL 101 CO 0.53 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.42 1wdv n ALA 102 N -0.50 -1.24 -2.88 1.32 0.00 -1.26 -4.87 120.51 111.07 1wdv n ALA 102 Ca 0.05 0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.66 1wdv n ALA 102 Cb 0.64 -5.26 -0.02 0.00 0.00 0.00 0.00 19.45 14.81 1wdv n ALA 102 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wdv s LEU 103 N -7.10 4.24 1.04 0.00 1.43 -1.26 -4.88 118.68 112.14 1wdv s LEU 103 Ca 0.55 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 1wdv s LEU 103 Cb -0.24 -2.99 0.21 0.00 0.03 0.00 0.00 46.19 43.20 1wdv s LEU 103 CO 0.68 -0.13 1.07 -2.84 0.23 0.00 0.00 176.35 175.36 1wdv s PRO 104 N -4.05 0.10 1.00 1.29 0.02 -1.26 -4.99 135.00 127.11 1wdv s PRO 104 Ca 0.36 0.93 -0.12 0.00 0.02 0.00 0.00 61.00 62.19 1wdv s PRO 104 Cb -0.09 -1.67 0.19 0.00 0.02 0.00 0.00 34.50 32.95 1wdv s PRO 104 CO 0.31 -3.06 1.08 -2.14 -0.33 0.00 0.00 177.00 172.86 1wdv s PRO 105 N -4.67 0.37 -1.12 5.54 0.02 -1.26 -3.88 135.00 130.00 1wdv s PRO 105 Ca 0.67 1.01 -0.02 0.00 0.02 0.00 0.00 61.00 62.68 1wdv s PRO 105 Cb -0.22 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.61 1wdv s PRO 105 CO 0.61 -2.90 0.26 0.09 -0.33 0.00 0.00 177.00 174.73 1wdv n ASN 106 N -4.37 -4.57 -3.87 2.53 3.02 -1.26 -5.01 115.26 101.74 1wdv n ASN 106 Ca 0.07 -0.13 -0.26 0.00 -0.03 0.00 0.00 54.58 54.22 1wdv n ASN 106 Cb 0.54 -3.54 -0.17 0.00 -0.61 0.00 0.00 39.78 36.00 1wdv n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wdv s ILE 107 N -2.88 0.90 -0.29 2.41 1.01 -1.25 -4.37 121.20 116.74 1wdv s ILE 107 Ca 0.13 -0.28 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 1wdv s ILE 107 Cb -0.06 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.42 1wdv s ILE 107 CO 0.16 0.29 0.76 -0.69 0.00 0.00 0.00 174.94 175.46 1wdv s VAL 108 N 1.75 4.84 0.11 2.92 1.01 -0.38 -4.83 120.40 125.83 1wdv s VAL 108 Ca 0.04 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1wdv s VAL 108 Cb -0.13 -4.09 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 1wdv s VAL 108 CO -0.08 -0.16 0.98 -0.22 0.00 0.00 0.00 175.10 175.62 1wdv s LEU 109 N 2.83 4.49 -0.05 3.92 2.96 -1.26 -0.79 118.68 130.78 1wdv s LEU 109 Ca 0.31 1.82 0.02 0.00 -0.22 0.00 0.00 54.13 56.06 1wdv s LEU 109 Cb -0.15 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1wdv s LEU 109 CO 0.11 -0.10 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.25 1wdv s VAL 110 N 0.05 0.96 -0.11 1.68 1.01 0.08 -3.35 120.40 120.72 1wdv s VAL 110 Ca 0.48 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1wdv s VAL 110 Cb -0.24 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1wdv s VAL 110 CO 0.30 0.31 -0.18 -0.69 0.00 0.00 0.00 175.10 174.84 1wdv s VAL 111 N 0.63 2.59 0.13 2.92 1.01 -0.44 -0.81 120.40 126.43 1wdv s VAL 111 Ca -0.12 -0.83 -0.31 0.00 0.00 0.00 0.00 61.98 60.72 1wdv s VAL 111 Cb -0.14 -2.04 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1wdv s VAL 111 CO 0.02 0.54 1.47 -0.62 0.00 0.00 0.00 175.10 176.51 1wdv s ASP 112 N 0.33 6.73 0.34 3.32 2.15 -0.57 -2.40 116.67 126.56 1wdv s ASP 112 Ca -0.14 2.43 0.05 0.00 0.43 0.00 0.00 52.55 55.32 1wdv s ASP 112 Cb -0.17 -2.59 0.69 0.00 -0.30 0.00 0.00 42.92 40.55 1wdv s ASP 112 CO 0.07 -0.73 1.91 -0.09 -0.17 0.00 0.00 175.17 176.16 1wdv h ARG 113 N 6.90 0.81 0.00 4.34 2.43 -1.41 -1.69 114.38 125.76 1wdv h ARG 113 Ca -0.42 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1wdv h ARG 113 Cb 1.21 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1wdv h ARG 113 CO 0.89 0.54 -0.01 0.97 -1.51 0.00 0.00 179.97 180.84 1wdv h ILE 114 N 0.84 0.56 0.00 1.20 2.10 -1.91 -1.32 117.51 118.98 1wdv h ILE 114 Ca 0.39 -0.06 -0.02 0.00 1.08 0.00 0.00 64.86 66.24 1wdv h ILE 114 Cb 0.39 1.04 -0.00 0.00 -1.09 0.00 0.00 36.82 37.16 1wdv h ILE 114 CO -0.16 0.01 -0.10 -0.07 -1.08 0.00 0.00 178.15 176.75 1wdv h LEU 115 N 0.00 0.00 -0.63 2.19 3.38 -1.69 -1.44 115.31 117.13 1wdv h LEU 115 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wdv h LEU 115 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wdv h LEU 115 CO 0.00 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.82 1wdv n LEU 116 N -3.46 0.50 -0.19 1.67 4.77 -0.50 -1.81 117.00 117.99 1wdv n LEU 116 Ca -0.01 0.64 0.15 0.00 -0.03 0.00 0.00 56.01 56.75 1wdv n LEU 116 Cb 0.26 -0.59 0.69 0.00 -2.33 0.00 0.00 43.42 41.45 1wdv n LEU 116 CO 0.29 -0.55 0.95 -1.54 -1.33 0.00 0.00 177.39 175.21 1wdv n SER 117 N -2.07 0.63 -4.68 -1.43 3.41 -0.54 -4.70 113.62 104.24 1wdv n SER 117 Ca 0.02 -0.99 -0.35 0.00 -0.26 0.00 0.00 58.87 57.29 1wdv n SER 117 Cb 0.19 -0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.02 1wdv n SER 117 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wdv s ARG 118 N -2.18 3.48 0.19 4.33 1.81 -0.75 -5.00 118.95 120.82 1wdv s ARG 118 Ca 0.38 -0.35 -0.09 0.00 -1.72 0.00 0.00 55.73 53.95 1wdv s ARG 118 Cb 0.21 -3.02 0.08 0.00 -0.45 0.00 0.00 34.95 31.77 1wdv s ARG 118 CO 0.40 0.52 1.64 -0.22 -0.68 0.00 0.00 175.30 176.96 1wdv h LYS 119 N 5.82 1.06 -3.11 3.54 1.63 -1.86 -3.39 116.57 120.26 1wdv h LYS 119 Ca -0.45 -0.34 -0.13 0.00 -0.85 0.00 0.00 60.65 58.88 1wdv h LYS 119 Cb 1.19 -0.09 -0.22 0.00 -0.60 0.00 0.00 32.23 32.51 1wdv h LYS 119 CO 0.62 1.04 -0.34 -1.59 -3.45 0.00 0.00 179.45 175.73 1wdv s LYS 120 N -5.00 0.54 0.25 1.90 -2.85 -1.26 -4.24 119.74 109.08 1wdv s LYS 120 Ca -0.12 -0.04 0.02 0.00 -1.00 0.00 0.00 55.97 54.83 1wdv s LYS 120 Cb 0.14 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 1wdv s LYS 120 CO 0.86 -0.13 0.17 0.14 0.10 0.00 0.00 175.35 176.49 1wdv s VAL 121 N -0.88 0.07 -0.09 1.79 -7.23 -0.07 -4.97 120.40 109.02 1wdv s VAL 121 Ca -0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.09 1wdv s VAL 121 Cb -0.05 -2.51 0.01 0.00 0.56 0.00 0.00 36.38 34.40 1wdv s VAL 121 CO 0.03 0.00 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.37 1wdv s TYR 122 N -3.88 1.76 0.02 2.82 1.51 -0.35 -1.49 117.35 117.74 1wdv s TYR 122 Ca 0.39 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1wdv s TYR 122 Cb 0.06 -1.29 -0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1wdv s TYR 122 CO 0.17 -0.40 0.01 0.41 -1.11 0.00 0.00 175.55 174.62 1wdv n GLY 123 N 4.10 4.09 3.77 0.71 0.00 -0.12 -0.70 105.19 117.05 1wdv n GLY 123 Ca -0.20 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1wdv n GLY 123 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wdv s GLY 124 N -1.13 2.66 0.00 -0.02 0.00 -1.26 -0.36 107.32 107.20 1wdv s GLY 124 Ca 0.01 1.57 0.22 0.00 0.00 0.00 0.00 44.72 46.52 1wdv s GLY 124 CO 0.01 2.36 1.44 0.61 0.00 0.00 0.00 173.10 177.51 1wdv n GLY 125 N 1.04 2.06 0.42 0.20 0.00 -0.61 -3.89 105.19 104.41 1wdv n GLY 125 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1wdv n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wdv n GLY 126 N 1.50 0.49 3.40 -0.02 0.00 -1.26 -4.63 105.19 104.65 1wdv n GLY 126 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 1wdv n GLY 126 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wdv s ARG 127 N -0.86 1.12 0.56 1.61 1.70 -1.26 -4.91 118.95 116.90 1wdv s ARG 127 Ca 0.00 -0.36 0.24 0.00 -0.47 0.00 0.00 55.73 55.13 1wdv s ARG 127 Cb 0.00 0.51 1.52 0.00 -0.57 0.00 0.00 34.95 36.41 1wdv s ARG 127 CO 0.00 -0.44 2.15 1.05 -1.08 0.00 0.00 175.30 176.98 1wdv h GLU 128 N 2.47 0.00 -0.70 3.89 4.11 -1.92 -2.76 114.58 119.67 1wdv h GLU 128 Ca -0.32 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.89 1wdv h GLU 128 Cb 1.25 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.37 1wdv h GLU 128 CO 0.41 0.00 0.25 0.27 0.07 0.00 0.00 179.01 180.02 1wdv n ASN 129 N -4.18 4.55 -3.81 3.06 6.94 -1.26 -1.96 115.26 118.60 1wdv n ASN 129 Ca -0.00 -3.28 -0.13 0.00 -0.02 0.00 0.00 54.58 51.15 1wdv n ASN 129 Cb 0.21 -0.73 -0.13 0.00 -2.36 0.00 0.00 39.78 36.77 1wdv n ASN 129 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wdv s ALA 130 N -3.03 -0.36 0.02 -2.53 0.00 -1.04 -4.46 121.76 110.36 1wdv s ALA 130 Ca 0.54 0.48 0.07 0.00 0.00 0.00 0.00 51.96 53.04 1wdv s ALA 130 Cb 0.44 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 1wdv s ALA 130 CO 0.12 -0.09 -0.19 -0.51 0.00 0.00 0.00 175.76 175.09 1wdv s LEU 131 N 0.28 2.52 -0.22 0.00 1.43 -0.42 -1.58 118.68 120.69 1wdv s LEU 131 Ca -0.02 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1wdv s LEU 131 Cb -0.03 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 1wdv s LEU 131 CO -0.01 0.28 0.41 -0.22 0.23 0.00 0.00 176.35 177.03 1wdv s LEU 132 N -1.23 4.11 -0.27 1.79 2.96 0.51 -0.23 118.68 126.33 1wdv s LEU 132 Ca 0.13 0.46 -0.14 0.00 -0.22 0.00 0.00 54.13 54.37 1wdv s LEU 132 Cb -0.10 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1wdv s LEU 132 CO 0.04 -0.13 0.32 -0.70 -1.32 0.00 0.00 176.35 174.56 1wdv s GLU 133 N 1.61 4.01 0.18 1.98 2.12 0.02 -0.94 118.70 127.69 1wdv s GLU 133 Ca 0.18 -0.04 -0.11 0.00 0.36 0.00 0.00 54.97 55.36 1wdv s GLU 133 Cb -0.15 -3.65 0.00 0.00 0.26 0.00 0.00 34.13 30.59 1wdv s GLU 133 CO 0.09 -0.23 0.37 -0.59 -0.54 0.00 0.00 175.26 174.35 1wdv s PHE 134 N 1.92 0.28 -0.27 5.30 -0.12 -0.56 -2.93 117.98 121.60 1wdv s PHE 134 Ca 0.13 -0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 56.26 1wdv s PHE 134 Cb -0.16 0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 1wdv s PHE 134 CO 0.10 -0.80 0.19 0.45 -0.05 0.00 0.00 175.22 175.10 1wdv s SER 135 N -2.96 6.06 0.26 1.98 0.15 -1.26 -0.89 113.70 117.04 1wdv s SER 135 Ca 0.16 0.04 -0.03 0.00 0.70 0.00 0.00 55.95 56.82 1wdv s SER 135 Cb 0.02 -2.12 0.37 0.00 -1.71 0.00 0.00 66.02 62.57 1wdv s SER 135 CO 0.01 -0.02 1.89 -0.65 1.20 0.00 0.00 173.24 175.67 1wdv h PRO 136 N 8.11 1.17 -0.77 5.44 0.11 -1.80 0.11 132.00 144.38 1wdv h PRO 136 Ca -0.36 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1wdv h PRO 136 Cb 1.18 -0.26 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1wdv h PRO 136 CO 0.58 0.78 0.49 0.00 -0.21 0.00 0.00 178.00 179.65 1wdv h ARG 137 N 1.21 1.02 -0.38 1.05 3.08 -1.84 -1.51 114.38 117.02 1wdv h ARG 137 Ca 0.41 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.31 1wdv h ARG 137 Cb 0.09 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 1wdv h ARG 137 CO -0.15 0.69 -0.11 0.93 -1.07 0.00 0.00 179.97 180.26 1wdv h GLU 138 N 1.05 0.66 -0.37 0.04 5.08 -1.73 0.69 114.58 119.99 1wdv h GLU 138 Ca 0.28 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1wdv h GLU 138 Cb -0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1wdv h GLU 138 CO -0.06 0.76 0.15 1.25 -1.00 0.00 0.00 179.01 180.11 1wdv h LEU 139 N 0.60 0.51 -0.46 1.33 5.85 -0.32 0.52 115.31 123.34 1wdv h LEU 139 Ca 0.11 -0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.52 1wdv h LEU 139 Cb 0.55 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1wdv h LEU 139 CO 0.03 0.53 -0.28 0.58 -0.34 0.00 0.00 178.44 178.96 1wdv h VAL 140 N 0.45 1.27 -0.69 1.05 2.07 -1.10 -2.26 116.25 117.04 1wdv h VAL 140 Ca 0.12 -1.45 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 1wdv h VAL 140 Cb 0.18 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1wdv h VAL 140 CO -0.01 0.50 0.21 -0.08 0.02 0.00 0.00 177.57 178.21 1wdv h GLU 141 N 0.82 1.07 0.00 1.57 4.81 -0.66 0.35 114.58 122.54 1wdv h GLU 141 Ca 0.09 -0.22 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1wdv h GLU 141 Cb 0.87 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1wdv h GLU 141 CO 0.08 0.91 -0.50 0.00 -0.73 0.00 0.00 179.01 178.77 1wdv h ALA 142 N 1.20 0.83 0.00 2.92 0.00 -0.73 -3.36 119.26 120.12 1wdv h ALA 142 Ca 0.22 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1wdv h ALA 142 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1wdv h ALA 142 CO -0.01 0.62 -1.74 0.25 0.00 0.00 0.00 179.25 178.38 1wdv n THR 143 N -3.44 0.33 -1.26 0.00 -2.24 -0.87 -5.00 114.28 101.80 1wdv n THR 143 Ca 0.00 -0.41 -0.06 0.00 -2.27 0.00 0.00 64.05 61.31 1wdv n THR 143 Cb 0.63 -0.13 -0.03 0.00 -2.10 0.00 0.00 70.33 68.71 1wdv n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wdv n GLY 144 N 1.88 0.81 3.70 3.38 0.00 0.12 -4.98 105.19 110.10 1wdv n GLY 144 Ca -0.09 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 1wdv n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wdv n ALA 145 N 0.92 0.95 -1.77 4.61 0.00 -1.24 -4.95 120.51 119.03 1wdv n ALA 145 Ca -0.07 0.02 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1wdv n ALA 145 Cb 0.24 -2.27 -0.04 0.00 0.00 0.00 0.00 19.45 17.38 1wdv n ALA 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wdv s VAL 146 N -1.40 3.50 -0.07 0.00 0.11 -1.21 -4.87 120.40 116.46 1wdv s VAL 146 Ca 0.79 1.27 0.04 0.00 -2.93 0.00 0.00 61.98 61.16 1wdv s VAL 146 Cb -0.40 -3.72 -0.02 0.00 -1.53 0.00 0.00 36.38 30.72 1wdv s VAL 146 CO 0.43 0.13 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.44 1wdv s VAL 147 N -1.45 2.48 0.24 2.04 1.01 -1.26 -1.32 120.40 122.13 1wdv s VAL 147 Ca 0.54 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 1wdv s VAL 147 Cb -0.27 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wdv s VAL 147 CO 0.34 0.57 0.53 0.00 0.00 0.00 0.00 175.10 176.54 1wdv s ALA 148 N -0.23 -0.62 -0.60 5.51 0.00 -1.01 -4.92 121.76 119.89 1wdv s ALA 148 Ca -0.01 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1wdv s ALA 148 Cb -0.13 0.96 0.10 0.00 0.00 0.00 0.00 23.12 24.04 1wdv s ALA 148 CO 0.03 -0.87 0.73 -0.51 0.00 0.00 0.00 175.76 175.14 1wdv s ASP 149 N -2.96 6.18 -0.03 0.00 1.01 -1.26 -0.99 116.67 118.63 1wdv s ASP 149 Ca 0.16 -1.38 0.04 0.00 0.71 0.00 0.00 52.55 52.09 1wdv s ASP 149 Cb -0.02 -2.32 0.06 0.00 1.01 0.00 0.00 42.92 41.66 1wdv s ASP 149 CO 0.05 -1.15 1.00 1.33 0.21 0.00 0.00 175.17 176.61 1wdv n VAL 150 N 5.59 1.10 -4.30 -1.27 0.24 -1.26 -4.89 118.33 113.54 1wdv n VAL 150 Ca -0.09 -1.18 -0.24 0.00 -2.04 0.00 0.00 64.34 60.79 1wdv n VAL 150 Cb 0.43 0.38 -0.08 0.00 -1.47 0.00 0.00 33.84 33.09 1wdv n VAL 150 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1wdv s SER 151 N -1.33 4.31 0.00 -1.34 1.04 -1.26 -0.40 113.70 114.72 1wdv s SER 151 Ca 0.07 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.66 1wdv s SER 151 Cb 0.06 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.53 1wdv s SER 151 CO 0.01 -0.13 0.00 -1.84 0.98 0.00 0.00 173.24 172.26