#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wv9 s LYS 3 N 0.00 3.10 0.01 -0.14 -0.14 -1.26 0.23 119.74 121.55 1wv9 s LYS 3 Ca 0.00 -1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 52.58 1wv9 s LYS 3 Cb 0.00 -4.32 -0.06 0.00 -1.68 0.00 0.00 37.83 31.76 1wv9 s LYS 3 CO 0.00 -1.38 1.55 0.08 -0.76 0.00 0.00 175.35 174.84 1wv9 s VAL 4 N 1.66 3.44 0.04 3.17 1.01 0.55 -4.62 120.40 125.65 1wv9 s VAL 4 Ca 0.08 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.64 1wv9 s VAL 4 Cb -0.25 -3.50 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1wv9 s VAL 4 CO 0.02 -0.02 0.59 -0.13 0.00 0.00 0.00 175.10 175.56 1wv9 s ARG 5 N 2.89 4.27 0.61 2.72 0.52 -1.26 0.17 118.95 128.88 1wv9 s ARG 5 Ca 0.70 0.76 0.24 0.00 -0.52 0.00 0.00 55.73 56.90 1wv9 s ARG 5 Cb -0.35 -3.29 0.97 0.00 0.52 0.00 0.00 34.95 32.80 1wv9 s ARG 5 CO 0.29 0.50 1.43 -1.35 0.02 0.00 0.00 175.30 176.19 1wv9 h PRO 6 N 5.07 0.00 0.00 3.54 0.11 -1.90 0.61 132.00 139.43 1wv9 h PRO 6 Ca -0.47 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1wv9 h PRO 6 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1wv9 h PRO 6 CO 0.67 0.00 -0.61 1.05 -0.21 0.00 0.00 178.00 178.89 1wv9 h GLU 7 N 0.00 0.00 -0.01 1.05 4.11 -1.99 -3.07 114.58 114.68 1wv9 h GLU 7 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 1wv9 h GLU 7 Cb 2.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.56 1wv9 h GLU 7 CO -0.00 0.61 -0.49 0.39 0.07 0.00 0.00 179.01 179.59 1wv9 n GLU 8 N -3.52 0.55 -0.05 1.06 1.02 0.21 -4.51 120.64 115.40 1wv9 n GLU 8 Ca -0.00 -0.38 -0.12 0.00 -0.02 0.00 0.00 57.16 56.64 1wv9 n GLU 8 Cb 0.68 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 1wv9 n GLU 8 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wv9 h LEU 9 N 0.92 -1.45 -0.97 -4.62 6.46 -1.39 -2.40 115.31 111.86 1wv9 h LEU 9 Ca 0.00 0.20 0.20 0.00 -0.12 0.00 0.00 57.88 58.15 1wv9 h LEU 9 Cb 0.55 0.60 -0.11 0.00 -0.73 0.00 0.00 40.66 40.97 1wv9 h LEU 9 CO 0.00 -0.42 0.56 -0.65 -0.62 0.00 0.00 178.44 177.32 1wv9 h PRO 10 N -0.45 0.66 -0.56 5.25 0.11 -1.79 -1.02 132.00 134.20 1wv9 h PRO 10 Ca 0.09 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1wv9 h PRO 10 Cb 0.62 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 31.56 1wv9 h PRO 10 CO -0.47 0.43 0.34 0.00 -0.21 0.00 0.00 178.00 178.09 1wv9 h ALA 11 N 1.66 0.71 0.07 -0.75 0.00 -1.74 -1.56 119.26 117.64 1wv9 h ALA 11 Ca 0.57 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1wv9 h ALA 11 Cb 0.94 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1wv9 h ALA 11 CO -0.41 0.19 -0.03 -0.07 0.00 0.00 0.00 179.25 178.93 1wv9 h LEU 12 N 0.75 -0.08 -1.55 0.00 3.38 -0.98 -3.06 115.31 113.77 1wv9 h LEU 12 Ca 0.20 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1wv9 h LEU 12 Cb -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1wv9 h LEU 12 CO -0.04 0.22 0.36 -0.07 0.09 0.00 0.00 178.44 179.00 1wv9 h LEU 13 N -0.39 0.49 -1.67 1.67 3.38 -1.24 0.66 115.31 118.23 1wv9 h LEU 13 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1wv9 h LEU 13 Cb 0.34 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wv9 h LEU 13 CO 0.02 0.33 -0.14 -0.33 0.09 0.00 0.00 178.44 178.41 1wv9 h GLU 14 N 0.57 0.00 0.01 1.13 5.08 -1.23 -2.02 114.58 118.11 1wv9 h GLU 14 Ca 0.22 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.38 1wv9 h GLU 14 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1wv9 h GLU 14 CO -0.06 0.14 -0.89 0.93 -1.00 0.00 0.00 179.01 178.14 1wv9 h GLU 15 N 0.00 0.20 0.00 2.33 5.08 -0.77 -3.48 114.58 117.93 1wv9 h GLU 15 Ca -0.00 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1wv9 h GLU 15 Cb 0.47 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1wv9 h GLU 15 CO 0.02 0.96 0.00 0.41 -1.00 0.00 0.00 179.01 179.40 1wv9 n GLY 16 N 0.89 1.21 3.43 -3.84 0.00 -0.76 -5.08 105.19 101.04 1wv9 n GLY 16 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1wv9 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wv9 n VAL 17 N -1.24 1.62 -2.92 1.61 0.24 -1.24 -4.88 118.33 111.53 1wv9 n VAL 17 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1wv9 n VAL 17 Cb 0.00 -0.48 -0.05 0.00 -1.47 0.00 0.00 33.84 31.85 1wv9 n VAL 17 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1wv9 s LEU 18 N 2.05 4.09 0.08 1.34 0.20 -1.16 -4.93 118.68 120.35 1wv9 s LEU 18 Ca 0.63 0.49 -0.24 0.00 0.69 0.00 0.00 54.13 55.70 1wv9 s LEU 18 Cb -0.57 -3.10 -0.06 0.00 -0.43 0.00 0.00 46.19 42.03 1wv9 s LEU 18 CO 0.58 -0.73 0.74 -0.69 -0.29 0.00 0.00 176.35 175.97 1wv9 s VAL 19 N 3.15 4.63 -0.16 1.68 1.01 -1.26 -2.71 120.40 126.73 1wv9 s VAL 19 Ca 0.33 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1wv9 s VAL 19 Cb -0.13 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1wv9 s VAL 19 CO 0.16 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.91 1wv9 s VAL 20 N -0.48 1.36 -0.39 2.92 1.01 -0.98 0.29 120.40 124.13 1wv9 s VAL 20 Ca 0.36 -0.66 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 1wv9 s VAL 20 Cb -0.21 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1wv9 s VAL 20 CO 0.23 0.28 0.78 -0.62 0.00 0.00 0.00 175.10 175.77 1wv9 s ASP 21 N 1.55 6.51 0.00 3.32 2.15 -1.00 -2.23 116.67 126.97 1wv9 s ASP 21 Ca 0.02 0.23 0.24 0.00 0.43 0.00 0.00 52.55 53.47 1wv9 s ASP 21 Cb -0.14 -2.39 0.38 0.00 -0.30 0.00 0.00 42.92 40.47 1wv9 s ASP 21 CO -0.09 -0.78 1.33 1.33 -0.17 0.00 0.00 175.17 176.79 1wv9 n VAL 22 N 5.88 0.00 -1.78 1.11 0.24 -1.02 -2.21 118.33 120.55 1wv9 n VAL 22 Ca 0.03 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.34 61.83 1wv9 n VAL 22 Cb 0.48 0.60 -0.00 0.00 -1.47 0.00 0.00 33.84 33.45 1wv9 n VAL 22 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1wv9 s ARG 23 N -2.73 4.10 0.84 7.34 0.52 -1.26 -3.75 118.95 124.00 1wv9 s ARG 23 Ca 0.17 2.60 -0.12 0.00 -0.52 0.00 0.00 55.73 57.85 1wv9 s ARG 23 Cb 0.18 -2.97 0.10 0.00 0.52 0.00 0.00 34.95 32.78 1wv9 s ARG 23 CO 0.64 -0.58 1.19 -1.25 0.02 0.00 0.00 175.30 175.33 1wv9 s PRO 24 N -1.77 1.74 -0.54 3.54 0.04 -1.26 -4.87 135.00 131.89 1wv9 s PRO 24 Ca 0.55 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.42 1wv9 s PRO 24 Cb -0.47 -1.93 -0.25 0.00 0.04 0.00 0.00 34.50 31.89 1wv9 s PRO 24 CO 0.61 -1.74 1.73 0.00 0.04 0.00 0.00 177.00 177.63 1wv9 n ALA 25 N -3.41 0.43 0.00 8.56 0.00 -1.26 -5.19 120.51 119.64 1wv9 n ALA 25 Ca 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 53.44 51.36 1wv9 n ALA 25 Cb 0.61 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.05 1wv9 n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wv9 n SER 29 N 13.70 0.00 -4.85 0.00 2.88 -1.26 -5.31 113.62 118.78 1wv9 n SER 29 Ca 0.37 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.59 1wv9 n SER 29 Cb 0.44 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 1wv9 n SER 29 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1wv9 s THR 30 N 0.00 4.61 0.89 2.46 -4.23 -1.26 -5.04 115.64 113.07 1wv9 s THR 30 Ca 0.00 1.03 -0.13 0.00 -1.18 0.00 0.00 61.69 61.42 1wv9 s THR 30 Cb 0.00 -3.74 0.06 0.00 1.34 0.00 0.00 72.50 70.17 1wv9 s THR 30 CO 0.00 -0.69 0.75 -2.65 -0.54 0.00 0.00 174.62 171.49 1wv9 n PRO 31 N -1.62 -0.18 -3.29 3.99 -0.02 -1.26 -4.93 135.00 127.69 1wv9 n PRO 31 Ca 0.05 0.01 -0.46 0.00 -2.02 0.00 0.00 63.50 61.08 1wv9 n PRO 31 Cb 0.54 -2.09 -0.02 0.00 -0.02 0.00 0.00 33.50 31.92 1wv9 n PRO 31 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wv9 s LEU 32 N -3.16 6.51 0.00 2.45 0.20 -1.26 -4.91 118.68 118.51 1wv9 s LEU 32 Ca 0.63 -2.87 0.00 0.00 0.69 0.00 0.00 54.13 52.58 1wv9 s LEU 32 Cb -0.25 -2.23 0.00 0.00 -0.43 0.00 0.00 46.19 43.28 1wv9 s LEU 32 CO 0.61 -0.54 0.50 -0.81 -0.29 0.00 0.00 176.35 175.81 1wv9 n PRO 33 N 3.89 0.59 -3.91 0.98 -0.04 -1.26 -4.72 135.00 130.53 1wv9 n PRO 33 Ca 0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.53 1wv9 n PRO 33 Cb 0.45 -1.23 -0.13 0.00 -0.04 0.00 0.00 33.50 32.55 1wv9 n PRO 33 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1wv9 s PHE 34 N -0.04 0.09 -0.79 0.54 0.08 -1.26 -5.01 117.98 111.59 1wv9 s PHE 34 Ca 0.00 -0.18 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 1wv9 s PHE 34 Cb 0.00 -0.07 -0.06 0.00 -0.57 0.00 0.00 43.02 42.32 1wv9 s PHE 34 CO 0.00 -0.09 2.07 0.00 -0.10 0.00 0.00 175.22 177.10 1wv9 n ALA 35 N 2.46 4.46 -1.21 5.36 0.00 -1.26 -4.87 120.51 125.45 1wv9 n ALA 35 Ca -0.17 -1.80 -0.32 0.00 0.00 0.00 0.00 53.44 51.15 1wv9 n ALA 35 Cb 0.58 -2.90 0.10 0.00 0.00 0.00 0.00 19.45 17.22 1wv9 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wv9 s ALA 36 N 3.33 2.13 -0.27 0.00 0.00 -1.26 -4.66 121.76 121.03 1wv9 s ALA 36 Ca 0.37 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 1wv9 s ALA 36 Cb 0.10 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 19.93 1wv9 s ALA 36 CO -0.03 -1.88 -0.04 -2.00 0.00 0.00 0.00 175.76 171.81 1wv9 s GLU 37 N -4.60 2.58 -0.19 0.00 2.12 0.14 -4.90 118.70 113.86 1wv9 s GLU 37 Ca 0.65 -1.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.53 1wv9 s GLU 37 Cb -0.20 -3.06 -0.02 0.00 0.26 0.00 0.00 34.13 31.11 1wv9 s GLU 37 CO 0.53 -0.52 1.43 -0.46 -0.54 0.00 0.00 175.26 175.70 1wv9 s TRP 38 N 1.27 2.47 -0.22 5.30 -0.00 -1.26 -2.37 118.94 124.12 1wv9 s TRP 38 Ca -0.03 0.71 -0.04 0.00 -0.00 0.00 0.00 56.10 56.73 1wv9 s TRP 38 Cb -0.18 -3.78 0.07 0.00 -0.00 0.00 0.00 33.47 29.58 1wv9 s TRP 38 CO -0.03 -2.41 0.10 0.08 -0.00 0.00 0.00 176.95 174.69 1wv9 s VAL 39 N 4.20 0.00 0.52 5.86 1.01 -0.94 -4.94 120.40 126.12 1wv9 s VAL 39 Ca 0.63 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1wv9 s VAL 39 Cb -0.24 -0.78 -0.08 0.00 0.00 0.00 0.00 36.38 35.29 1wv9 s VAL 39 CO 0.23 -0.43 0.94 -2.65 0.00 0.00 0.00 175.10 173.18 1wv9 n PRO 40 N 5.23 1.06 0.00 2.72 -0.02 -1.26 -4.18 135.00 138.56 1wv9 n PRO 40 Ca -0.07 0.39 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 1wv9 n PRO 40 Cb 0.46 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 1wv9 n PRO 40 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1wv9 h LEU 41 N 0.91 0.10 -1.50 2.45 6.46 -1.93 -2.20 115.31 119.60 1wv9 h LEU 41 Ca -0.47 -0.07 0.10 0.00 -0.12 0.00 0.00 57.88 57.32 1wv9 h LEU 41 Cb 1.36 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.22 1wv9 h LEU 41 CO 0.53 0.14 0.46 1.05 -0.62 0.00 0.00 178.44 180.00 1wv9 h GLU 42 N 0.05 0.54 0.00 1.25 -0.00 -1.92 0.42 114.58 114.92 1wv9 h GLU 42 Ca 0.03 -0.03 -0.04 0.00 -0.00 0.00 0.00 59.36 59.32 1wv9 h GLU 42 Cb 0.06 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 28.68 1wv9 h GLU 42 CO -0.00 0.36 -0.17 -0.22 -0.00 0.00 0.00 179.01 178.97 1wv9 h LYS 43 N 0.56 0.00 0.01 1.06 3.64 -1.77 -2.65 116.57 117.42 1wv9 h LYS 43 Ca 0.32 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.40 1wv9 h LYS 43 Cb 0.50 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 1wv9 h LYS 43 CO -0.11 0.17 -1.73 -0.89 -2.27 0.00 0.00 179.45 174.63 1wv9 n ILE 44 N -3.48 1.63 0.23 2.00 5.41 0.11 -2.39 119.36 122.88 1wv9 n ILE 44 Ca -0.01 -0.78 0.08 0.00 1.00 0.00 0.00 62.75 63.04 1wv9 n ILE 44 Cb 0.34 -1.12 0.55 0.00 -0.71 0.00 0.00 39.64 38.69 1wv9 n ILE 44 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1wv9 h GLN 45 N 0.01 0.00 -0.02 0.38 4.20 -0.35 -1.28 115.11 118.06 1wv9 h GLN 45 Ca -0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1wv9 h GLN 45 Cb 2.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.79 1wv9 h GLN 45 CO 0.08 0.22 -0.07 1.63 -0.67 0.00 0.00 178.83 180.02 1wv9 n LYS 46 N -3.90 1.56 -0.80 1.46 5.02 -1.02 -4.92 118.16 115.55 1wv9 n LYS 46 Ca -0.02 -0.98 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 1wv9 n LYS 46 Cb 0.31 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1wv9 n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wv9 n GLY 47 N 1.24 0.35 1.75 0.72 0.00 -0.48 -4.84 105.19 103.93 1wv9 n GLY 47 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1wv9 n GLY 47 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1wv9 n GLU 48 N -1.59 1.48 -3.51 1.61 0.28 -1.00 -4.83 120.64 113.08 1wv9 n GLU 48 Ca 0.00 -0.90 -0.21 0.00 -0.16 0.00 0.00 57.16 55.90 1wv9 n GLU 48 Cb 0.09 -1.38 -0.02 0.00 1.43 0.00 0.00 31.44 31.56 1wv9 n GLU 48 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 1wv9 s HIS 49 N -0.94 2.57 -0.05 -1.84 -3.43 -1.20 -4.86 115.29 105.54 1wv9 s HIS 49 Ca 0.20 -0.52 0.07 0.00 -0.80 0.00 0.00 55.06 54.00 1wv9 s HIS 49 Cb 0.14 -2.17 0.10 0.00 -1.43 0.00 0.00 32.58 29.22 1wv9 s HIS 49 CO -0.01 -0.23 0.99 0.41 -2.00 0.00 0.00 174.74 173.90 1wv9 n GLY 50 N -1.63 1.88 3.61 -1.38 0.00 -1.26 -5.08 105.19 101.33 1wv9 n GLY 50 Ca 0.04 -0.40 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 1wv9 n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wv9 n LEU 51 N -0.57 2.05 -4.68 0.99 4.77 -1.26 -4.94 117.00 113.36 1wv9 n LEU 51 Ca 0.06 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.92 1wv9 n LEU 51 Cb 0.60 -1.31 0.15 0.00 -2.33 0.00 0.00 43.42 40.53 1wv9 n LEU 51 CO 0.00 -1.24 0.65 -2.16 -1.33 0.00 0.00 177.39 173.32 1wv9 s PRO 52 N -1.45 1.00 -1.28 3.23 0.04 -1.26 -4.90 135.00 130.39 1wv9 s PRO 52 Ca 0.60 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 1wv9 s PRO 52 Cb -0.69 -1.77 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 1wv9 s PRO 52 CO 0.59 -2.45 2.85 0.54 0.04 0.00 0.00 177.00 178.56 1wv9 n ARG 53 N -4.05 3.72 -4.21 4.56 5.12 -1.26 -4.86 116.66 115.68 1wv9 n ARG 53 Ca 0.07 -2.48 -0.12 0.00 -1.93 0.00 0.00 57.85 53.39 1wv9 n ARG 53 Cb 0.55 -2.62 -0.10 0.00 -1.16 0.00 0.00 32.46 29.13 1wv9 n ARG 53 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1wv9 s ARG 54 N 0.74 0.94 0.08 5.56 1.70 -1.26 -5.04 118.95 121.67 1wv9 s ARG 54 Ca 0.64 -1.38 -0.37 0.00 -0.47 0.00 0.00 55.73 54.14 1wv9 s ARG 54 Cb 0.21 -0.42 -0.17 0.00 -0.57 0.00 0.00 34.95 34.00 1wv9 s ARG 54 CO -0.08 0.03 1.32 -2.30 -1.08 0.00 0.00 175.30 173.20 1wv9 n PRO 55 N -0.10 1.06 -4.73 3.89 -0.02 -1.26 -4.65 135.00 129.20 1wv9 n PRO 55 Ca -0.11 0.38 -0.29 0.00 -2.02 0.00 0.00 63.50 61.46 1wv9 n PRO 55 Cb 0.61 -2.02 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 1wv9 n PRO 55 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1wv9 s LEU 56 N 0.46 2.20 -0.21 2.45 1.43 -0.45 -2.99 118.68 121.58 1wv9 s LEU 56 Ca 0.85 -0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1wv9 s LEU 56 Cb -0.98 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.10 1wv9 s LEU 56 CO 0.48 0.21 -0.08 -0.22 0.23 0.00 0.00 176.35 176.97 1wv9 s LEU 57 N -1.41 2.43 0.25 1.79 2.96 -1.10 -4.09 118.68 119.51 1wv9 s LEU 57 Ca 0.11 -1.02 -0.12 0.00 -0.22 0.00 0.00 54.13 52.88 1wv9 s LEU 57 Cb -0.10 -1.22 -0.08 0.00 0.50 0.00 0.00 46.19 45.30 1wv9 s LEU 57 CO 0.03 -0.18 0.62 -0.76 -1.32 0.00 0.00 176.35 174.73 1wv9 s LEU 58 N 1.39 4.15 -0.04 -0.68 1.43 -1.26 -2.33 118.68 121.34 1wv9 s LEU 58 Ca -0.03 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.98 1wv9 s LEU 58 Cb -0.17 -3.78 0.03 0.00 0.03 0.00 0.00 46.19 42.29 1wv9 s LEU 58 CO -0.07 -0.10 0.33 0.68 0.23 0.00 0.00 176.35 177.42 1wv9 s VAL 59 N -1.84 0.04 0.01 -1.59 -7.23 -0.94 -1.36 120.40 107.50 1wv9 s VAL 59 Ca 0.49 -0.36 -0.00 0.00 -1.81 0.00 0.00 61.98 60.30 1wv9 s VAL 59 Cb -0.11 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.23 1wv9 s VAL 59 CO 0.20 -0.20 0.02 0.00 -0.31 0.00 0.00 175.10 174.81 1wv9 n GLU 61 N -0.02 0.00 -0.02 0.00 4.07 -1.26 0.63 120.64 124.04 1wv9 n GLU 61 Ca -0.00 0.43 0.12 0.00 -0.06 0.00 0.00 57.16 57.65 1wv9 n GLU 61 Cb 0.02 -1.27 0.18 0.00 -0.06 0.00 0.00 31.44 30.31 1wv9 n GLU 61 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1wv9 n LYS 62 N -1.54 2.24 -0.47 5.31 5.02 -1.26 -0.76 118.16 126.70 1wv9 n LYS 62 Ca 0.00 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.49 1wv9 n LYS 62 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 1wv9 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wv9 n GLY 63 N 1.34 0.75 0.06 0.72 0.00 -1.26 -3.53 105.19 103.27 1wv9 n GLY 63 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1wv9 n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wv9 h LEU 64 N 0.00 -0.04 -0.22 0.99 3.38 -1.92 -3.29 115.31 114.21 1wv9 h LEU 64 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1wv9 h LEU 64 Cb 0.00 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 1wv9 h LEU 64 CO 0.00 0.35 -0.11 -0.07 0.09 0.00 0.00 178.44 178.70 1wv9 h LEU 65 N -0.80 -0.37 -2.45 1.67 3.38 -1.97 -1.71 115.31 113.06 1wv9 h LEU 65 Ca -0.00 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1wv9 h LEU 65 Cb 0.04 0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1wv9 h LEU 65 CO 0.01 -0.14 0.16 0.77 0.09 0.00 0.00 178.44 179.32 1wv9 h SER 66 N -0.09 0.00 1.22 -0.43 4.64 -1.86 -0.88 113.55 116.15 1wv9 h SER 66 Ca 0.12 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.34 1wv9 h SER 66 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1wv9 h SER 66 CO -0.28 0.00 -0.46 -0.61 -0.87 0.00 0.00 176.83 174.62 1wv9 h GLN 67 N 0.00 0.00 0.00 4.77 4.15 -1.38 -2.81 115.11 119.84 1wv9 h GLN 67 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1wv9 h GLN 67 Cb 0.34 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.03 1wv9 h GLN 67 CO -0.00 0.46 -0.10 0.28 -1.93 0.00 0.00 178.83 177.54 1wv9 h VAL 68 N 0.00 0.74 -0.70 2.39 2.07 -1.17 -3.19 116.25 116.40 1wv9 h VAL 68 Ca -0.00 -1.58 0.20 0.00 0.82 0.00 0.00 66.70 66.13 1wv9 h VAL 68 Cb 1.19 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 1wv9 h VAL 68 CO 0.06 0.25 0.53 0.00 0.02 0.00 0.00 177.57 178.43 1wv9 h ALA 69 N -0.59 2.62 -0.03 1.67 0.00 -1.60 0.32 119.26 121.64 1wv9 h ALA 69 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wv9 h ALA 69 Cb 0.49 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wv9 h ALA 69 CO -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 179.25 178.36 1wv9 h ALA 70 N 1.60 0.05 -0.59 0.00 0.00 -1.58 0.14 119.26 118.88 1wv9 h ALA 70 Ca 0.33 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1wv9 h ALA 70 Cb 1.38 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.12 1wv9 h ALA 70 CO -0.00 -0.33 0.33 1.25 0.00 0.00 0.00 179.25 180.50 1wv9 h LEU 71 N -0.18 0.51 0.49 0.00 5.85 -0.42 0.40 115.31 121.96 1wv9 h LEU 71 Ca 0.01 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1wv9 h LEU 71 Cb 0.25 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1wv9 h LEU 71 CO 0.00 0.34 -0.30 1.88 -0.34 0.00 0.00 178.44 180.03 1wv9 h TYR 72 N 0.64 -0.80 -0.40 1.25 0.05 -0.95 -2.44 116.97 114.32 1wv9 h TYR 72 Ca 0.26 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.12 1wv9 h TYR 72 Cb 0.11 0.28 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1wv9 h TYR 72 CO -0.08 -0.45 0.28 -0.07 -1.05 0.00 0.00 178.16 176.79 1wv9 h LEU 73 N -0.74 0.13 -1.34 3.88 3.38 -0.56 -0.08 115.31 119.97 1wv9 h LEU 73 Ca -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1wv9 h LEU 73 Cb 0.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1wv9 h LEU 73 CO 0.07 0.08 -0.12 -0.33 0.09 0.00 0.00 178.44 178.23 1wv9 h GLU 74 N 0.15 0.29 -0.19 1.13 4.39 0.01 -2.08 114.58 118.27 1wv9 h GLU 74 Ca 0.19 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.74 1wv9 h GLU 74 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1wv9 h GLU 74 CO -0.03 0.42 -0.23 0.00 -1.16 0.00 0.00 179.01 178.02 1wv9 h ALA 75 N 1.60 1.26 -0.17 3.43 0.00 -0.52 -2.69 119.26 122.18 1wv9 h ALA 75 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1wv9 h ALA 75 Cb 0.39 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1wv9 h ALA 75 CO 0.02 0.49 0.04 0.39 0.00 0.00 0.00 179.25 180.19 1wv9 n GLU 76 N -4.16 1.82 -1.64 0.00 1.02 -0.90 -4.82 120.64 111.96 1wv9 n GLU 76 Ca -0.01 -0.78 -0.06 0.00 -0.02 0.00 0.00 57.16 56.30 1wv9 n GLU 76 Cb 0.37 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1wv9 n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wv9 n GLY 77 N 0.14 0.47 3.91 0.62 0.00 -1.01 -5.03 105.19 104.29 1wv9 n GLY 77 Ca 0.09 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 1wv9 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wv9 s TYR 78 N -2.25 3.53 -1.11 1.61 2.02 -0.83 -5.03 117.35 115.29 1wv9 s TYR 78 Ca 0.00 0.33 -0.08 0.00 -0.37 0.00 0.00 57.07 56.95 1wv9 s TYR 78 Cb 0.00 -1.81 0.29 0.00 -0.40 0.00 0.00 41.96 40.03 1wv9 s TYR 78 CO 0.00 0.60 1.20 -1.91 -1.57 0.00 0.00 175.55 173.86 1wv9 n GLU 79 N 0.53 3.74 -3.64 -0.62 2.13 -1.26 -4.15 120.64 117.38 1wv9 n GLU 79 Ca -0.07 -4.48 -0.20 0.00 0.66 0.00 0.00 57.16 53.07 1wv9 n GLU 79 Cb 0.52 -2.54 -0.02 0.00 0.27 0.00 0.00 31.44 29.67 1wv9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wv9 s ALA 80 N -1.65 4.08 -0.22 4.31 0.00 -1.26 -1.34 121.76 125.68 1wv9 s ALA 80 Ca 0.31 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 1wv9 s ALA 80 Cb -0.06 -1.54 0.06 0.00 0.00 0.00 0.00 23.12 21.58 1wv9 s ALA 80 CO -0.04 0.02 0.57 0.45 0.00 0.00 0.00 175.76 176.77 1wv9 s SER 82 N -4.09 -0.67 -0.42 0.00 0.15 0.14 -4.49 113.70 104.31 1wv9 s SER 82 Ca 0.42 1.20 -0.28 0.00 0.70 0.00 0.00 55.95 57.99 1wv9 s SER 82 Cb -0.08 1.15 -0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1wv9 s SER 82 CO 0.29 -0.21 1.58 -0.22 1.20 0.00 0.00 173.24 175.89 1wv9 s LEU 83 N 0.86 3.51 0.30 3.45 2.96 -0.46 0.20 118.68 129.51 1wv9 s LEU 83 Ca -0.04 0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 54.45 1wv9 s LEU 83 Cb -0.05 -3.38 -0.11 0.00 0.50 0.00 0.00 46.19 43.15 1wv9 s LEU 83 CO -0.07 -1.65 1.49 -0.70 -1.32 0.00 0.00 176.35 174.11 1wv9 s GLU 84 N 5.44 4.19 0.00 1.98 2.12 0.45 -1.65 118.70 131.23 1wv9 s GLU 84 Ca 0.67 2.46 0.00 0.00 0.36 0.00 0.00 54.97 58.46 1wv9 s GLU 84 Cb -0.16 -3.04 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1wv9 s GLU 84 CO 0.31 -0.50 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1wv9 n GLY 85 N 1.63 2.20 7.00 -1.50 0.00 -1.26 -4.57 105.19 108.69 1wv9 n GLY 85 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1wv9 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wv9 n GLY 86 N -2.00 -0.80 0.10 -0.02 0.00 -0.66 -3.21 105.19 98.61 1wv9 n GLY 86 Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 46.02 44.67 1wv9 n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wv9 h LEU 87 N 0.00 0.21 -1.84 0.99 3.38 0.24 -3.34 115.31 114.94 1wv9 h LEU 87 Ca 0.00 -0.86 0.26 0.00 0.09 0.00 0.00 57.88 57.36 1wv9 h LEU 87 Cb 0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 1wv9 h LEU 87 CO 0.00 1.34 0.65 1.56 0.09 0.00 0.00 178.44 182.09 1wv9 h GLN 88 N -0.67 0.11 -0.03 1.13 4.20 -1.67 -3.49 115.11 114.71 1wv9 h GLN 88 Ca -0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1wv9 h GLN 88 Cb 1.41 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1wv9 h GLN 88 CO 0.01 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.25