#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq8 n LEU 1 N 0.00 0.00 0.03 3.17 4.77 -1.26 -4.98 117.00 118.73 1sq8 n LEU 1 Ca 0.00 -2.04 -0.10 0.00 -0.03 0.00 0.00 56.01 53.84 1sq8 n LEU 1 Cb 0.00 0.37 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1sq8 n LEU 1 CO 0.00 -0.30 0.70 0.24 -1.33 0.00 0.00 177.39 176.70 1sq8 h MET 2 N 0.00 -0.33 -0.35 3.23 2.86 -1.88 -0.19 114.93 118.27 1sq8 h MET 2 Ca -0.25 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1sq8 h MET 2 Cb 0.81 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1sq8 h MET 2 CO 0.41 -0.22 0.17 0.78 1.06 0.00 0.00 176.91 179.11 1sq8 h GLY 3 N -0.34 0.54 0.98 8.32 0.00 -1.75 0.11 103.07 110.94 1sq8 h GLY 3 Ca 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1sq8 h GLY 3 CO -0.26 0.26 0.18 0.83 0.00 0.00 0.00 176.54 177.54 1sq8 h GLU 4 N 0.43 0.83 -0.42 4.80 5.08 -1.62 -0.64 114.58 123.05 1sq8 h GLU 4 Ca 0.12 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1sq8 h GLU 4 Cb 0.12 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 1sq8 h GLU 4 CO -0.01 0.76 0.06 -0.09 -1.00 0.00 0.00 179.01 178.72 1sq8 h ARG 5 N 0.75 0.17 0.08 2.33 2.43 -0.57 0.24 114.38 119.81 1sq8 h ARG 5 Ca 0.18 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1sq8 h ARG 5 Cb 0.26 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1sq8 h ARG 5 CO -0.01 0.11 -0.04 0.82 -1.51 0.00 0.00 179.97 179.35 1sq8 h ILE 6 N 0.18 1.08 -0.41 1.20 2.04 -0.57 -2.04 117.51 118.99 1sq8 h ILE 6 Ca 0.20 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.52 1sq8 h ILE 6 Cb 0.27 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1sq8 h ILE 6 CO -0.29 0.14 0.17 -0.09 0.00 0.00 0.00 178.15 178.09 1sq8 h ARG 7 N -0.37 0.35 -0.04 2.37 1.12 -0.77 0.11 114.38 117.14 1sq8 h ARG 7 Ca -0.01 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 58.85 1sq8 h ARG 7 Cb 0.32 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1sq8 h ARG 7 CO 0.02 0.23 -0.02 0.00 -3.11 0.00 0.00 179.97 177.09 1sq8 h ALA 8 N 1.24 0.01 -0.11 2.80 0.00 -0.52 -1.02 119.26 121.65 1sq8 h ALA 8 Ca 0.18 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 1sq8 h ALA 8 Cb 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sq8 h ALA 8 CO -0.15 -0.50 -0.62 -0.09 0.00 0.00 0.00 179.25 177.88 1sq8 h ARG 9 N -0.02 0.39 -0.18 0.00 9.65 -1.13 0.18 114.38 123.27 1sq8 h ARG 9 Ca 0.02 -0.27 0.01 0.00 -1.10 0.00 0.00 59.98 58.64 1sq8 h ARG 9 Cb 0.05 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 1sq8 h ARG 9 CO -0.05 0.89 0.08 -0.09 2.80 0.00 0.00 179.97 183.60 1sq8 h ARG 10 N 0.29 0.17 -0.24 0.20 2.43 -0.52 -1.38 114.38 115.33 1sq8 h ARG 10 Ca -0.01 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1sq8 h ARG 10 Cb 1.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 1sq8 h ARG 10 CO 0.11 0.11 -0.15 0.82 -1.51 0.00 0.00 179.97 179.35 1sq8 h ILE 11 N 0.18 1.23 -0.69 1.20 1.08 -0.94 -0.23 117.51 119.34 1sq8 h ILE 11 Ca 0.07 -1.01 0.05 0.00 -0.39 0.00 0.00 64.86 63.58 1sq8 h ILE 11 Cb 0.02 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 1sq8 h ILE 11 CO -0.05 0.32 0.46 -0.61 -0.69 0.00 0.00 178.15 177.58 1sq8 h GLN 12 N 0.38 0.74 0.00 2.37 4.15 -0.22 0.35 115.11 122.88 1sq8 h GLN 12 Ca 0.07 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1sq8 h GLN 12 Cb 0.50 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1sq8 h GLN 12 CO 0.03 0.49 0.00 1.25 -1.93 0.00 0.00 178.83 178.67 1sq8 h LEU 13 N 0.76 0.00 -0.64 -2.39 5.85 -0.30 -3.48 115.31 115.10 1sq8 h LEU 13 Ca 0.29 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.73 1sq8 h LEU 13 Cb 0.19 0.00 0.09 0.00 0.37 0.00 0.00 40.66 41.31 1sq8 h LEU 13 CO -0.09 0.00 -0.48 0.61 -0.34 0.00 0.00 178.44 178.14 1sq8 n GLY 14 N 1.25 -0.13 3.47 3.75 0.00 0.11 -5.04 105.19 108.61 1sq8 n GLY 14 Ca 0.05 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1sq8 n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sq8 s LEU 15 N -5.40 2.59 0.64 0.99 2.34 -1.19 -5.02 118.68 113.63 1sq8 s LEU 15 Ca 0.39 -1.17 -0.09 0.00 0.06 0.00 0.00 54.13 53.32 1sq8 s LEU 15 Cb -0.17 -0.81 0.01 0.00 -0.56 0.00 0.00 46.19 44.66 1sq8 s LEU 15 CO 0.48 -0.25 0.99 0.20 -1.06 0.00 0.00 176.35 176.71 1sq8 s ASN 16 N -3.50 5.55 0.22 1.48 0.01 -1.26 -4.57 114.94 112.86 1sq8 s ASN 16 Ca 0.30 0.93 -0.08 0.00 -0.71 0.00 0.00 52.86 53.29 1sq8 s ASN 16 Cb 0.02 -1.84 0.18 0.00 0.41 0.00 0.00 41.25 40.03 1sq8 s ASN 16 CO 0.14 -1.18 1.86 1.56 -1.51 0.00 0.00 177.10 177.96 1sq8 h GLN 17 N -0.39 1.14 0.15 -0.60 4.20 -1.98 -0.94 115.11 116.68 1sq8 h GLN 17 Ca -0.45 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.15 1sq8 h GLN 17 Cb 1.25 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1sq8 h GLN 17 CO 0.62 0.81 -0.14 0.00 -0.67 0.00 0.00 178.83 179.45 1sq8 h ALA 18 N 1.26 -0.28 -0.35 3.87 0.00 -1.93 -0.50 119.26 121.33 1sq8 h ALA 18 Ca 0.30 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1sq8 h ALA 18 Cb -0.02 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sq8 h ALA 18 CO -0.05 -0.68 0.08 0.93 0.00 0.00 0.00 179.25 179.53 1sq8 h GLU 19 N -0.31 0.57 0.21 0.00 5.08 -1.86 0.11 114.58 118.39 1sq8 h GLU 19 Ca 0.00 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 1sq8 h GLU 19 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1sq8 h GLU 19 CO -0.03 0.63 -0.24 1.25 -1.00 0.00 0.00 179.01 179.61 1sq8 h LEU 20 N 0.42 -0.66 -0.34 1.33 5.85 -1.14 -1.85 115.31 118.91 1sq8 h LEU 20 Ca 0.11 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1sq8 h LEU 20 Cb 0.32 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 1sq8 h LEU 20 CO 0.00 -0.35 -0.31 0.00 -0.34 0.00 0.00 178.44 177.44 1sq8 h ALA 21 N 0.18 -0.19 -0.55 1.25 0.00 -0.74 -1.02 119.26 118.19 1sq8 h ALA 21 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1sq8 h ALA 21 Cb 0.48 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1sq8 h ALA 21 CO -0.07 -0.72 0.26 1.96 0.00 0.00 0.00 179.25 180.67 1sq8 h GLN 22 N -0.27 0.48 -0.24 0.00 4.20 -0.66 0.35 115.11 118.98 1sq8 h GLN 22 Ca 0.16 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 1sq8 h GLN 22 Cb 0.53 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1sq8 h GLN 22 CO -0.49 0.32 -0.28 1.57 -0.67 0.00 0.00 178.83 179.28 1sq8 h LYS 23 N 0.50 0.46 -0.00 1.46 2.10 -0.55 -1.57 116.57 118.96 1sq8 h LYS 23 Ca 0.25 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 1sq8 h LYS 23 Cb 0.20 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 1sq8 h LYS 23 CO -0.20 0.70 -0.10 0.28 -2.00 0.00 0.00 179.45 178.13 1sq8 n VAL 24 N -4.11 0.00 -2.19 0.07 0.31 -0.46 -4.93 118.33 107.02 1sq8 n VAL 24 Ca -0.01 -0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.22 1sq8 n VAL 24 Cb 0.42 -0.31 -0.00 0.00 -0.91 0.00 0.00 33.84 33.04 1sq8 n VAL 24 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sq8 n GLY 25 N 1.43 -0.01 3.93 2.92 0.00 0.11 -4.92 105.19 108.65 1sq8 n GLY 25 Ca 0.09 -0.49 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1sq8 n GLY 25 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sq8 s VAL 26 N -2.48 2.01 0.48 1.61 -7.23 -0.06 -4.98 120.40 109.75 1sq8 s VAL 26 Ca 0.00 -1.33 -0.16 0.00 -1.81 0.00 0.00 61.98 58.69 1sq8 s VAL 26 Cb -0.00 -2.34 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 1sq8 s VAL 26 CO 0.01 0.00 0.93 1.51 -0.31 0.00 0.00 175.10 177.24 1sq8 s ASP 27 N -4.35 6.63 0.28 4.85 -4.77 -1.26 -3.79 116.67 114.26 1sq8 s ASP 27 Ca 0.44 1.48 0.01 0.00 -3.30 0.00 0.00 52.55 51.18 1sq8 s ASP 27 Cb -0.03 -2.47 0.55 0.00 -1.09 0.00 0.00 42.92 39.88 1sq8 s ASP 27 CO 0.27 -0.52 1.84 -0.61 0.70 0.00 0.00 175.17 176.85 1sq8 h GLN 28 N 1.09 0.98 -0.73 2.11 4.15 -1.86 -1.81 115.11 119.03 1sq8 h GLN 28 Ca -0.47 -0.06 0.08 0.00 0.77 0.00 0.00 58.65 58.97 1sq8 h GLN 28 Cb 1.18 -0.22 -0.07 0.00 0.21 0.00 0.00 27.48 28.59 1sq8 h GLN 28 CO 0.62 0.65 0.40 0.37 -1.93 0.00 0.00 178.83 178.93 1sq8 h GLN 29 N 1.00 0.67 -0.91 1.69 -0.00 -1.93 -0.18 115.11 115.45 1sq8 h GLN 29 Ca 0.49 -0.04 0.09 0.00 -0.00 0.00 0.00 58.65 59.19 1sq8 h GLN 29 Cb 0.46 -0.15 -0.07 0.00 0.00 0.00 0.00 27.48 27.72 1sq8 h GLN 29 CO -0.25 0.45 0.56 0.00 0.00 0.00 0.00 178.83 179.58 1sq8 h ALA 30 N 1.41 1.31 -0.22 3.38 0.00 -1.71 0.84 119.26 124.26 1sq8 h ALA 30 Ca 0.34 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.13 1sq8 h ALA 30 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1sq8 h ALA 30 CO -0.23 0.23 -0.39 0.82 0.00 0.00 0.00 179.25 179.68 1sq8 h ILE 31 N 0.95 1.32 0.02 0.00 1.08 -1.17 -2.19 117.51 117.52 1sq8 h ILE 31 Ca 0.43 -1.61 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 1sq8 h ILE 31 Cb 0.33 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 1sq8 h ILE 31 CO -0.23 0.50 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.51 1sq8 h GLU 32 N 0.35 -0.24 -0.34 2.37 4.81 -0.60 -0.31 114.58 120.62 1sq8 h GLU 32 Ca 0.01 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 1sq8 h GLU 32 Cb 0.99 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1sq8 h GLU 32 CO 0.09 -0.16 -0.08 -0.56 -0.73 0.00 0.00 179.01 177.57 1sq8 h GLN 33 N -0.25 0.57 -0.34 1.92 3.07 -0.86 -1.43 115.11 117.79 1sq8 h GLN 33 Ca 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 58.65 58.60 1sq8 h GLN 33 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1sq8 h GLN 33 CO -0.13 0.65 0.10 -0.07 0.09 0.00 0.00 178.83 179.47 1sq8 h LEU 34 N 0.53 0.50 -1.64 0.06 3.38 -1.06 0.15 115.31 117.22 1sq8 h LEU 34 Ca 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1sq8 h LEU 34 Cb 0.46 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1sq8 h LEU 34 CO 0.02 0.58 -0.20 -0.33 0.09 0.00 0.00 178.44 178.61 1sq8 h GLU 35 N 0.39 0.00 -0.00 1.13 5.08 -0.46 0.64 114.58 121.36 1sq8 h GLU 35 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1sq8 h GLU 35 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sq8 h GLU 35 CO -0.00 0.20 -0.14 0.27 -1.00 0.00 0.00 179.01 178.33 1sq8 n ASN 36 N -3.80 0.17 0.00 1.42 0.23 -0.59 -3.80 115.26 108.89 1sq8 n ASN 36 Ca -0.02 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 1sq8 n ASN 36 Cb 0.30 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1sq8 n ASN 36 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sq8 n GLY 37 N 1.47 0.74 0.13 4.83 0.00 0.21 -4.92 105.19 107.65 1sq8 n GLY 37 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 1sq8 n GLY 37 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sq8 h LYS 38 N 3.94 0.07 -4.48 1.61 1.63 -0.91 -3.35 116.57 115.08 1sq8 h LYS 38 Ca 0.00 -0.06 -0.72 0.00 -0.85 0.00 0.00 60.65 59.01 1sq8 h LYS 38 Cb 0.00 0.01 -0.21 0.00 -0.60 0.00 0.00 32.23 31.43 1sq8 h LYS 38 CO 0.00 0.76 0.09 0.00 -3.45 0.00 0.00 179.45 176.85 1sq8 s ALA 39 N -3.41 3.54 0.08 5.00 0.00 -1.24 -4.95 121.76 120.77 1sq8 s ALA 39 Ca -0.02 -2.46 -0.29 0.00 0.00 0.00 0.00 51.96 49.19 1sq8 s ALA 39 Cb 0.12 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.60 1sq8 s ALA 39 CO 0.79 -2.31 1.46 -0.22 0.00 0.00 0.00 175.76 175.48 1sq8 h LYS 40 N 8.94 -0.69 -4.95 0.00 3.11 -1.96 -3.36 116.57 117.66 1sq8 h LYS 40 Ca -0.22 0.05 -0.67 0.00 -2.81 0.00 0.00 60.65 57.00 1sq8 h LYS 40 Cb 1.08 0.16 -0.36 0.00 -1.00 0.00 0.00 32.23 32.10 1sq8 h LYS 40 CO 1.05 -0.46 -0.82 0.50 -2.81 0.00 0.00 179.45 176.91 1sq8 s ARG 41 N -5.31 2.55 0.61 1.90 3.52 -1.26 -5.05 118.95 115.90 1sq8 s ARG 41 Ca -0.14 -1.13 -0.17 0.00 -0.13 0.00 0.00 55.73 54.15 1sq8 s ARG 41 Cb 0.04 -2.76 -0.03 0.00 -1.56 0.00 0.00 34.95 30.65 1sq8 s ARG 41 CO 0.50 -0.42 1.14 -1.25 -0.81 0.00 0.00 175.30 174.46 1sq8 s PRO 42 N 1.18 3.01 0.54 5.12 0.04 -1.26 -4.92 135.00 138.72 1sq8 s PRO 42 Ca -0.03 1.57 0.21 0.00 0.04 0.00 0.00 61.00 62.79 1sq8 s PRO 42 Cb -0.17 -1.96 1.42 0.00 0.04 0.00 0.00 34.50 33.83 1sq8 s PRO 42 CO -0.08 -1.11 2.15 0.07 0.04 0.00 0.00 177.00 178.06 1sq8 h ARG 43 N 0.62 0.00 -0.60 4.56 0.11 -2.00 -2.16 114.38 114.91 1sq8 h ARG 43 Ca -0.49 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.51 1sq8 h ARG 43 Cb 1.26 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.30 1sq8 h ARG 43 CO 0.55 0.00 0.09 1.97 0.10 0.00 0.00 179.97 182.68 1sq8 n PHE 44 N -4.33 2.12 -0.32 4.08 -1.74 -1.26 -4.77 117.46 111.24 1sq8 n PHE 44 Ca -0.01 -0.92 0.01 0.00 -0.56 0.00 0.00 57.45 55.97 1sq8 n PHE 44 Cb 0.18 -0.56 0.08 0.00 1.52 0.00 0.00 39.48 40.70 1sq8 n PHE 44 CO 0.00 0.00 0.00 1.25 -0.56 0.00 0.00 176.76 177.45 1sq8 h LEU 45 N 3.32 -1.05 -1.09 5.98 5.85 -1.76 0.18 115.31 126.75 1sq8 h LEU 45 Ca 0.10 0.27 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 1sq8 h LEU 45 Cb 2.07 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 43.70 1sq8 h LEU 45 CO 0.56 -0.30 -0.44 1.55 -0.34 0.00 0.00 178.44 179.48 1sq8 h PRO 46 N -0.02 0.00 -0.16 5.25 0.13 -1.88 -0.27 132.00 135.05 1sq8 h PRO 46 Ca 0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.47 1sq8 h PRO 46 Cb 0.62 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1sq8 h PRO 46 CO -0.91 0.44 -0.05 1.49 -0.23 0.00 0.00 178.00 178.74 1sq8 h GLU 47 N 0.00 0.31 -0.03 0.86 4.22 -1.35 -0.54 114.58 118.05 1sq8 h GLU 47 Ca -0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 59.36 59.31 1sq8 h GLU 47 Cb 0.82 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1sq8 h GLU 47 CO 0.06 0.60 0.02 1.25 -2.18 0.00 0.00 179.01 178.75 1sq8 h LEU 48 N -0.00 0.03 -0.53 1.64 6.46 -0.54 0.28 115.31 122.65 1sq8 h LEU 48 Ca 0.04 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 1sq8 h LEU 48 Cb 0.49 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 1sq8 h LEU 48 CO 0.02 0.08 0.34 0.00 -0.62 0.00 0.00 178.44 178.26 1sq8 h ALA 49 N 0.95 0.67 -0.20 1.25 0.00 -0.99 0.32 119.26 121.26 1sq8 h ALA 49 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1sq8 h ALA 49 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sq8 h ALA 49 CO -0.00 0.12 0.07 -0.09 0.00 0.00 0.00 179.25 179.35 1sq8 h ARG 50 N 0.71 0.16 -0.14 0.00 2.43 -0.86 0.20 114.38 116.89 1sq8 h ARG 50 Ca 0.19 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1sq8 h ARG 50 Cb -0.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1sq8 h ARG 50 CO -0.04 0.11 0.08 0.00 -1.51 0.00 0.00 179.97 178.60 1sq8 h ALA 51 N 1.12 0.18 0.00 2.80 0.00 -0.56 -2.57 119.26 120.25 1sq8 h ALA 51 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1sq8 h ALA 51 Cb 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1sq8 h ALA 51 CO -0.09 -0.27 -0.09 1.25 0.00 0.00 0.00 179.25 180.05 1sq8 h LEU 52 N 0.13 0.00 -0.78 0.00 5.85 -0.12 -3.47 115.31 116.91 1sq8 h LEU 52 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1sq8 h LEU 52 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sq8 h LEU 52 CO -0.01 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 178.80 1sq8 n GLY 53 N -0.60 0.93 3.32 3.75 0.00 0.54 -5.03 105.19 108.10 1sq8 n GLY 53 Ca -0.02 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.21 1sq8 n GLY 53 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sq8 s VAL 54 N -2.78 0.23 0.60 1.61 -7.23 -0.32 -5.03 120.40 107.48 1sq8 s VAL 54 Ca 0.00 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.02 1sq8 s VAL 54 Cb 0.00 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1sq8 s VAL 54 CO 0.00 0.00 1.04 0.00 -0.31 0.00 0.00 175.10 175.83 1sq8 s ALA 55 N -3.62 2.80 0.24 1.32 0.00 -1.26 -4.11 121.76 117.13 1sq8 s ALA 55 Ca 0.37 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.57 1sq8 s ALA 55 Cb 0.05 -3.20 0.35 0.00 0.00 0.00 0.00 23.12 20.32 1sq8 s ALA 55 CO 0.19 -0.76 1.84 0.28 0.00 0.00 0.00 175.76 177.30 1sq8 h VAL 56 N 0.33 1.00 0.00 0.00 2.07 -1.91 0.21 116.25 117.94 1sq8 h VAL 56 Ca -0.46 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.75 1sq8 h VAL 56 Cb 1.21 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1sq8 h VAL 56 CO 0.58 0.17 0.00 -0.78 0.02 0.00 0.00 177.57 177.56 1sq8 h ASP 57 N 0.91 0.00 -0.13 0.57 3.58 -1.93 0.12 116.42 119.54 1sq8 h ASP 57 Ca 0.38 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.76 1sq8 h ASP 57 Cb 0.24 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1sq8 h ASP 57 CO -0.20 0.00 -0.18 -0.25 -2.88 0.00 0.00 179.24 175.73 1sq8 h TRP 58 N 0.00 0.44 -0.70 0.28 7.01 -1.42 0.19 115.95 121.75 1sq8 h TRP 58 Ca 0.00 -0.14 0.08 0.00 2.11 0.00 0.00 58.89 60.94 1sq8 h TRP 58 Cb 0.78 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.69 1sq8 h TRP 58 CO 0.00 0.79 0.37 -0.07 -2.79 0.00 0.00 178.44 176.73 1sq8 h LEU 59 N -0.04 0.50 0.56 0.65 3.38 -0.24 0.47 115.31 120.59 1sq8 h LEU 59 Ca 0.02 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1sq8 h LEU 59 Cb 0.74 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.45 1sq8 h LEU 59 CO 0.04 0.30 -0.27 -0.07 0.09 0.00 0.00 178.44 178.53 1sq8 h LEU 60 N 0.64 -0.63 0.00 1.67 3.38 -0.78 -3.41 115.31 116.17 1sq8 h LEU 60 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1sq8 h LEU 60 Cb 0.31 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1sq8 h LEU 60 CO -0.24 -0.23 -1.57 0.59 0.09 0.00 0.00 178.44 177.08 1sq8 n ASN 61 N -5.28 1.10 0.00 -0.43 3.02 0.68 -4.83 115.26 109.52 1sq8 n ASN 61 Ca -0.10 -0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 1sq8 n ASN 61 Cb 0.30 1.61 0.00 0.00 -0.61 0.00 0.00 39.78 41.09 1sq8 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sq8 n GLY 62 N 1.52 0.67 0.00 7.41 0.00 0.17 -5.00 105.19 109.96 1sq8 n GLY 62 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32