#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sq8 s LEU 1 N 0.00 3.07 0.13 3.17 0.05 -1.26 -4.93 118.68 118.91 1sq8 s LEU 1 Ca 0.00 0.20 -0.24 0.00 0.05 0.00 0.00 54.13 54.14 1sq8 s LEU 1 Cb 0.00 -2.98 -0.02 0.00 -2.05 0.00 0.00 46.19 41.14 1sq8 s LEU 1 CO 0.00 -1.34 1.64 0.24 -0.55 0.00 0.00 176.35 176.34 1sq8 h MET 2 N -0.23 -0.29 -0.81 1.48 2.86 -1.91 -0.80 114.93 115.23 1sq8 h MET 2 Ca -0.43 0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.36 1sq8 h MET 2 Cb 1.31 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.94 1sq8 h MET 2 CO 0.56 -0.19 0.40 0.78 1.06 0.00 0.00 176.91 179.52 1sq8 h GLY 3 N -0.30 1.29 0.98 8.32 0.00 -1.75 0.50 103.07 112.12 1sq8 h GLY 3 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1sq8 h GLY 3 CO -0.27 -0.03 0.25 0.83 0.00 0.00 0.00 176.54 177.33 1sq8 h GLU 4 N 0.60 0.79 -0.28 4.80 4.39 -1.62 -0.51 114.58 122.74 1sq8 h GLU 4 Ca 0.44 -0.13 0.06 0.00 0.34 0.00 0.00 59.36 60.07 1sq8 h GLU 4 Cb 0.60 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1sq8 h GLU 4 CO -0.35 0.66 -0.08 0.00 -1.16 0.00 0.00 179.01 178.08 1sq8 h ARG 5 N 0.73 -0.02 0.50 2.33 3.08 0.49 0.22 114.38 121.72 1sq8 h ARG 5 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 1sq8 h ARG 5 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1sq8 h ARG 5 CO -0.02 -0.01 -0.24 0.82 -1.07 0.00 0.00 179.97 179.45 1sq8 h ILE 6 N -0.02 0.44 -0.81 2.04 5.03 -1.06 -1.95 117.51 121.18 1sq8 h ILE 6 Ca 0.14 -0.32 0.04 0.00 -0.12 0.00 0.00 64.86 64.59 1sq8 h ILE 6 Cb 0.23 0.57 -0.05 0.00 -3.03 0.00 0.00 36.82 34.54 1sq8 h ILE 6 CO -0.30 0.05 0.52 -0.09 -0.68 0.00 0.00 178.15 177.65 1sq8 h ARG 7 N -0.89 0.97 0.93 2.37 1.12 -0.76 0.77 114.38 118.89 1sq8 h ARG 7 Ca -0.07 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 58.70 1sq8 h ARG 7 Cb 0.60 -0.22 0.01 0.00 -0.01 0.00 0.00 29.97 30.35 1sq8 h ARG 7 CO 0.11 0.64 -0.44 0.00 -3.11 0.00 0.00 179.97 177.17 1sq8 h ALA 8 N 1.35 -1.33 -0.68 2.80 0.00 -0.63 -2.75 119.26 118.01 1sq8 h ALA 8 Ca 0.33 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sq8 h ALA 8 Cb 0.03 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1sq8 h ALA 8 CO -0.12 -1.24 0.41 -0.09 0.00 0.00 0.00 179.25 178.21 1sq8 h ARG 9 N -1.24 0.93 -0.38 0.00 1.12 -0.86 0.61 114.38 114.56 1sq8 h ARG 9 Ca -0.13 -0.08 0.05 0.00 -1.11 0.00 0.00 59.98 58.71 1sq8 h ARG 9 Cb 0.95 -0.19 -0.05 0.00 -0.01 0.00 0.00 29.97 30.67 1sq8 h ARG 9 CO 0.21 0.66 0.11 -0.09 -3.11 0.00 0.00 179.97 177.75 1sq8 h ARG 10 N 0.93 0.24 -0.19 0.20 2.43 -0.93 -0.35 114.38 116.72 1sq8 h ARG 10 Ca 0.25 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.30 1sq8 h ARG 10 Cb -0.03 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1sq8 h ARG 10 CO -0.05 0.16 -0.34 0.82 -1.51 0.00 0.00 179.97 179.06 1sq8 h ILE 11 N 0.25 1.29 -0.22 1.20 1.08 -1.03 -0.70 117.51 119.37 1sq8 h ILE 11 Ca 0.18 -1.40 0.03 0.00 -0.39 0.00 0.00 64.86 63.27 1sq8 h ILE 11 Cb 0.18 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 35.43 1sq8 h ILE 11 CO -0.20 0.43 0.15 -0.61 -0.69 0.00 0.00 178.15 177.23 1sq8 h GLN 12 N 0.33 0.17 0.00 2.37 -0.00 -0.27 0.08 115.11 117.79 1sq8 h GLN 12 Ca 0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 1sq8 h GLN 12 Cb 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 27.48 28.19 1sq8 h GLN 12 CO 0.06 0.11 -0.17 -0.07 0.00 0.00 0.00 178.83 178.76 1sq8 h LEU 13 N 0.17 0.00 0.00 -2.39 3.38 -0.04 -3.48 115.31 112.95 1sq8 h LEU 13 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sq8 h LEU 13 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1sq8 h LEU 13 CO -0.02 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.29 1sq8 n GLY 14 N 0.84 1.04 3.96 0.83 0.00 0.01 -5.06 105.19 106.82 1sq8 n GLY 14 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 3.82 0.60 0.99 2.34 -0.87 -4.87 118.68 120.69 1sq8 s LEU 15 Ca 0.00 0.14 -0.02 0.00 0.06 0.00 0.00 54.13 54.31 1sq8 s LEU 15 Cb 0.00 -3.03 0.04 0.00 -0.56 0.00 0.00 46.19 42.64 1sq8 s LEU 15 CO 0.00 -0.54 0.86 0.54 -1.06 0.00 0.00 176.35 176.15 1sq8 s ASN 16 N -4.17 5.16 0.16 1.48 2.20 -1.26 -4.36 114.94 114.15 1sq8 s ASN 16 Ca 0.46 0.22 -0.16 0.00 -0.94 0.00 0.00 52.86 52.44 1sq8 s ASN 16 Cb -0.10 -1.05 0.06 0.00 -2.00 0.00 0.00 41.25 38.16 1sq8 s ASN 16 CO 0.35 -1.28 1.78 1.56 -2.94 0.00 0.00 177.10 176.57 1sq8 h GLN 17 N -0.17 0.38 -0.19 3.55 4.20 -1.98 -1.88 115.11 119.02 1sq8 h GLN 17 Ca -0.43 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.25 1sq8 h GLN 17 Cb 1.30 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 1sq8 h GLN 17 CO 0.56 0.25 0.08 0.00 -0.67 0.00 0.00 178.83 179.05 1sq8 h ALA 18 N 1.21 0.24 -0.58 3.87 0.00 -1.93 0.93 119.26 122.99 1sq8 h ALA 18 Ca 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1sq8 h ALA 18 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sq8 h ALA 18 CO -0.12 -0.19 0.01 0.93 0.00 0.00 0.00 179.25 179.89 1sq8 h GLU 19 N 0.16 1.02 0.41 0.00 4.39 -1.95 0.11 114.58 118.72 1sq8 h GLU 19 Ca 0.06 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1sq8 h GLU 19 Cb 0.14 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1sq8 h GLU 19 CO -0.01 1.00 -0.38 1.25 -1.16 0.00 0.00 179.01 179.72 1sq8 h LEU 20 N 0.91 -1.02 -0.27 1.33 5.85 -1.14 -2.03 115.31 118.94 1sq8 h LEU 20 Ca 0.17 0.08 0.06 0.00 0.84 0.00 0.00 57.88 59.03 1sq8 h LEU 20 Cb 0.53 0.34 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1sq8 h LEU 20 CO 0.03 -0.54 -0.36 0.00 -0.34 0.00 0.00 178.44 177.23 1sq8 h ALA 21 N -0.41 -0.36 -0.69 1.25 0.00 -0.50 -0.71 119.26 117.84 1sq8 h ALA 21 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1sq8 h ALA 21 Cb 0.71 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 1sq8 h ALA 21 CO -0.04 -0.81 0.38 0.37 0.00 0.00 0.00 179.25 179.15 1sq8 h GLN 22 N -0.35 0.96 0.00 0.00 4.15 -0.76 0.17 115.11 119.27 1sq8 h GLN 22 Ca 0.13 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1sq8 h GLN 22 Cb 0.57 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.07 1sq8 h GLN 22 CO -0.47 0.71 0.00 -0.22 -1.93 0.00 0.00 178.83 176.93 1sq8 h LYS 23 N 0.94 0.00 0.01 1.69 3.11 -0.89 -2.91 116.57 118.52 1sq8 h LYS 23 Ca 0.24 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.02 1sq8 h LYS 23 Cb 0.03 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1sq8 h LYS 23 CO -0.04 0.00 -0.24 0.28 -2.81 0.00 0.00 179.45 176.64 1sq8 h VAL 24 N 0.00 1.57 0.00 2.00 2.07 -0.22 -3.49 116.25 118.19 1sq8 h VAL 24 Ca 0.00 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1sq8 h VAL 24 Cb 0.75 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1sq8 h VAL 24 CO 0.00 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.75 1sq8 n GLY 25 N 1.14 0.58 3.96 2.17 0.00 0.43 -4.90 105.19 108.57 1sq8 n GLY 25 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.50 1.72 0.45 1.61 -7.23 -0.24 -4.95 120.40 110.25 1sq8 s VAL 26 Ca 0.00 -1.31 -0.13 0.00 -1.81 0.00 0.00 61.98 58.73 1sq8 s VAL 26 Cb 0.00 -2.03 -0.07 0.00 0.56 0.00 0.00 36.38 34.84 1sq8 s VAL 26 CO 0.00 0.00 0.86 1.51 -0.31 0.00 0.00 175.10 177.16 1sq8 s ASP 27 N -4.46 6.58 0.20 4.85 -4.77 -1.26 -3.75 116.67 114.05 1sq8 s ASP 27 Ca 0.44 1.34 -0.11 0.00 -3.30 0.00 0.00 52.55 50.91 1sq8 s ASP 27 Cb -0.03 -2.41 0.23 0.00 -1.09 0.00 0.00 42.92 39.61 1sq8 s ASP 27 CO 0.28 -0.47 1.75 -0.61 0.70 0.00 0.00 175.17 176.82 1sq8 h GLN 28 N 1.16 0.40 -0.85 2.11 4.15 -1.86 -1.59 115.11 118.62 1sq8 h GLN 28 Ca -0.47 -0.02 0.19 0.00 0.77 0.00 0.00 58.65 59.12 1sq8 h GLN 28 Cb 1.19 -0.09 -0.11 0.00 0.21 0.00 0.00 27.48 28.67 1sq8 h GLN 28 CO 0.63 0.26 0.36 0.37 -1.93 0.00 0.00 178.83 178.52 1sq8 h GLN 29 N 0.41 0.41 -0.09 1.69 -0.00 -1.94 0.65 115.11 116.24 1sq8 h GLN 29 Ca 0.28 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.89 1sq8 h GLN 29 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 1sq8 h GLN 29 CO -0.27 0.27 0.01 0.00 0.00 0.00 0.00 178.83 178.84 1sq8 h ALA 30 N 1.66 1.85 0.02 3.38 0.00 -1.67 0.17 119.26 124.66 1sq8 h ALA 30 Ca 0.51 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.17 1sq8 h ALA 30 Cb 0.90 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.66 1sq8 h ALA 30 CO -0.49 0.12 -0.76 0.82 0.00 0.00 0.00 179.25 178.94 1sq8 h ILE 31 N 0.13 1.39 -0.19 0.00 1.08 -0.83 -3.05 117.51 116.04 1sq8 h ILE 31 Ca 0.03 -2.17 0.00 0.00 -0.39 0.00 0.00 64.86 62.33 1sq8 h ILE 31 Cb 0.08 2.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1sq8 h ILE 31 CO 0.00 0.64 0.13 -0.08 -0.69 0.00 0.00 178.15 178.15 1sq8 h GLU 32 N 0.02 0.26 -0.91 2.37 4.57 -0.48 0.67 114.58 121.07 1sq8 h GLU 32 Ca -0.10 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1sq8 h GLU 32 Cb 1.47 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.95 1sq8 h GLU 32 CO 0.15 0.18 0.60 -0.56 -1.18 0.00 0.00 179.01 178.20 1sq8 h GLN 33 N 0.26 1.18 -0.38 1.92 3.07 -0.82 -0.75 115.11 119.58 1sq8 h GLN 33 Ca 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 1sq8 h GLN 33 Cb -0.02 -0.27 -0.02 0.00 0.08 0.00 0.00 27.48 27.26 1sq8 h GLN 33 CO -0.01 0.78 0.09 -0.07 0.09 0.00 0.00 178.83 179.71 1sq8 h LEU 34 N 1.21 0.58 -1.44 0.06 3.38 -1.21 0.37 115.31 118.27 1sq8 h LEU 34 Ca 0.34 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1sq8 h LEU 34 Cb -0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1sq8 h LEU 34 CO -0.08 0.66 -0.28 -0.33 0.09 0.00 0.00 178.44 178.50 1sq8 h GLU 35 N 0.47 0.01 -0.01 1.13 5.08 -0.28 -0.44 114.58 120.55 1sq8 h GLU 35 Ca 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1sq8 h GLU 35 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1sq8 h GLU 35 CO 0.00 0.28 -0.16 0.27 -1.00 0.00 0.00 179.01 178.41 1sq8 n ASN 36 N -4.21 0.69 0.00 1.42 0.23 -0.35 -4.38 115.26 108.66 1sq8 n ASN 36 Ca -0.02 -0.70 0.00 0.00 -0.53 0.00 0.00 54.58 53.33 1sq8 n ASN 36 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 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 1.30 0.78 0.15 4.83 0.00 -0.18 -4.95 105.19 107.12 1sq8 n GLY 37 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1sq8 n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sq8 h LYS 38 N 3.00 0.00 -5.62 1.61 1.79 -0.51 -3.38 116.57 113.46 1sq8 h LYS 38 Ca 0.00 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.83 1sq8 h LYS 38 Cb 0.00 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.51 1sq8 h LYS 38 CO 0.00 0.56 0.29 0.00 -1.08 0.00 0.00 179.45 179.22 1sq8 s ALA 39 N -3.48 3.30 -0.05 3.86 0.00 -1.24 -4.92 121.76 119.22 1sq8 s ALA 39 Ca -0.00 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1sq8 s ALA 39 Cb 0.11 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1sq8 s ALA 39 CO 0.74 -1.96 0.65 -0.22 0.00 0.00 0.00 175.76 174.98 1sq8 h LYS 40 N 9.00 -0.32 -3.45 0.00 3.11 -1.97 -3.43 116.57 119.51 1sq8 h LYS 40 Ca -0.25 0.02 -0.58 0.00 -2.81 0.00 0.00 60.65 57.03 1sq8 h LYS 40 Cb 1.09 0.07 -0.40 0.00 -1.00 0.00 0.00 32.23 31.99 1sq8 h LYS 40 CO 0.96 -0.04 -0.76 1.03 -2.81 0.00 0.00 179.45 177.83 1sq8 s ARG 41 N -3.12 0.70 0.83 1.90 0.52 -1.26 -5.00 118.95 113.52 1sq8 s ARG 41 Ca -0.09 -1.09 -0.11 0.00 -0.52 0.00 0.00 55.73 53.92 1sq8 s ARG 41 Cb 0.00 -1.93 0.09 0.00 0.52 0.00 0.00 34.95 33.64 1sq8 s ARG 41 CO 0.32 -1.00 1.09 -1.25 0.02 0.00 0.00 175.30 174.47 1sq8 s PRO 42 N 1.58 1.82 0.18 3.54 0.04 -1.26 -4.97 135.00 135.92 1sq8 s PRO 42 Ca 0.10 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 61.83 1sq8 s PRO 42 Cb -0.18 -1.87 0.13 0.00 0.04 0.00 0.00 34.50 32.62 1sq8 s PRO 42 CO -0.24 -1.85 1.77 0.07 0.04 0.00 0.00 177.00 176.79 1sq8 h ARG 43 N -1.26 0.43 -0.03 4.56 -0.00 -2.03 -3.09 114.38 112.96 1sq8 h ARG 43 Ca -0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1sq8 h ARG 43 Cb 1.27 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.14 1sq8 h ARG 43 CO 0.56 0.29 0.00 1.97 -0.00 0.00 0.00 179.97 182.79 1sq8 n PHE 44 N -4.92 0.04 -0.31 4.08 1.16 -1.26 -4.44 117.46 111.81 1sq8 n PHE 44 Ca 0.04 -0.02 0.13 0.00 -1.87 0.00 0.00 57.45 55.73 1sq8 n PHE 44 Cb 0.15 0.00 0.31 0.00 -1.61 0.00 0.00 39.48 38.32 1sq8 n PHE 44 CO 0.00 0.00 0.00 1.25 -1.87 0.00 0.00 176.76 176.14 1sq8 h LEU 45 N 0.30 0.34 -0.40 5.98 5.85 -1.93 0.40 115.31 125.85 1sq8 h LEU 45 Ca 0.00 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1sq8 h LEU 45 Cb 0.07 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1sq8 h LEU 45 CO 0.00 0.01 -0.29 1.55 -0.34 0.00 0.00 178.44 179.36 1sq8 h PRO 46 N 0.41 0.00 0.11 5.25 0.13 -1.89 -0.55 132.00 135.46 1sq8 h PRO 46 Ca 0.56 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.68 1sq8 h PRO 46 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1sq8 h PRO 46 CO -0.52 0.29 -0.05 0.93 -0.23 0.00 0.00 178.00 178.42 1sq8 h GLU 47 N 0.00 -0.14 -0.38 0.86 5.08 -1.35 -2.31 114.58 116.34 1sq8 h GLU 47 Ca -0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sq8 h GLU 47 Cb 1.08 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 1sq8 h GLU 47 CO 0.04 0.31 0.22 1.25 -1.00 0.00 0.00 179.01 179.83 1sq8 h LEU 48 N -0.66 0.46 -0.39 1.33 6.46 -0.97 0.83 115.31 122.37 1sq8 h LEU 48 Ca -0.01 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1sq8 h LEU 48 Cb 0.52 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.31 1sq8 h LEU 48 CO 0.02 0.40 0.25 0.00 -0.62 0.00 0.00 178.44 178.50 1sq8 h ALA 49 N 1.08 0.49 -0.32 1.25 0.00 -1.17 0.32 119.26 120.91 1sq8 h ALA 49 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1sq8 h ALA 49 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1sq8 h ALA 49 CO -0.02 -0.06 0.19 0.00 0.00 0.00 0.00 179.25 179.36 1sq8 h ARG 50 N 0.52 0.38 -0.46 0.00 2.47 -1.12 0.16 114.38 116.33 1sq8 h ARG 50 Ca 0.14 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.80 1sq8 h ARG 50 Cb -0.05 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 1sq8 h ARG 50 CO -0.03 0.25 0.12 0.00 0.56 0.00 0.00 179.97 180.87 1sq8 h ALA 51 N 1.14 1.36 0.00 0.04 0.00 -0.32 -2.62 119.26 118.87 1sq8 h ALA 51 Ca 0.13 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1sq8 h ALA 51 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1sq8 h ALA 51 CO -0.06 0.46 -0.41 1.25 0.00 0.00 0.00 179.25 180.50 1sq8 h LEU 52 N 0.66 0.00 -0.37 0.00 5.85 -0.11 -3.49 115.31 117.86 1sq8 h LEU 52 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1sq8 h LEU 52 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1sq8 h LEU 52 CO -0.01 0.34 0.00 0.61 -0.34 0.00 0.00 178.44 179.04 1sq8 n GLY 53 N 1.19 0.93 3.27 3.75 0.00 0.42 -5.03 105.19 109.72 1sq8 n GLY 53 Ca 0.02 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.37 0.25 0.52 1.61 -7.23 -0.42 -5.03 120.40 107.73 1sq8 s VAL 54 Ca 0.00 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 1sq8 s VAL 54 Cb 0.00 -2.55 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 1sq8 s VAL 54 CO 0.00 0.00 0.93 0.00 -0.31 0.00 0.00 175.10 175.72 1sq8 s ALA 55 N -3.85 3.17 0.41 1.32 0.00 -1.26 -3.85 121.76 117.69 1sq8 s ALA 55 Ca 0.38 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.36 1sq8 s ALA 55 Cb 0.06 -2.96 0.85 0.00 0.00 0.00 0.00 23.12 21.08 1sq8 s ALA 55 CO 0.15 -0.33 2.05 0.28 0.00 0.00 0.00 175.76 177.91 1sq8 h VAL 56 N 0.53 1.09 -0.88 0.00 2.07 -1.92 -2.36 116.25 114.78 1sq8 h VAL 56 Ca -0.46 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 66.90 1sq8 h VAL 56 Cb 1.19 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 1sq8 h VAL 56 CO 0.62 0.10 0.57 -0.78 0.02 0.00 0.00 177.57 178.10 1sq8 h ASP 57 N 0.57 0.94 0.26 0.57 1.82 -1.98 0.42 116.42 119.02 1sq8 h ASP 57 Ca 0.17 -0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.74 1sq8 h ASP 57 Cb -0.02 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 1sq8 h ASP 57 CO -0.04 0.65 -0.29 -0.25 -1.61 0.00 0.00 179.24 177.70 1sq8 h TRP 58 N 1.10 0.05 0.17 0.28 7.01 -1.81 0.13 115.95 122.88 1sq8 h TRP 58 Ca 0.35 -0.01 -0.25 0.00 2.11 0.00 0.00 58.89 61.10 1sq8 h TRP 58 Cb 0.01 -0.01 0.02 0.00 -2.10 0.00 0.00 29.16 27.08 1sq8 h TRP 58 CO -0.02 0.33 -1.11 -0.07 -2.79 0.00 0.00 178.44 174.78 1sq8 h LEU 59 N 0.04 0.57 0.59 0.65 3.38 -0.74 0.43 115.31 120.24 1sq8 h LEU 59 Ca 0.00 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.01 1sq8 h LEU 59 Cb 0.53 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1sq8 h LEU 59 CO 0.04 1.53 -0.29 -0.07 0.09 0.00 0.00 178.44 179.74 1sq8 h LEU 60 N -0.20 -0.68 0.00 1.67 3.38 -0.21 -3.44 115.31 115.83 1sq8 h LEU 60 Ca -0.20 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1sq8 h LEU 60 Cb 1.82 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1sq8 h LEU 60 CO 0.18 -0.45 0.00 0.59 0.09 0.00 0.00 178.44 178.85 1sq8 n ASN 61 N -4.35 0.00 0.00 -0.43 3.02 0.44 -5.07 115.26 108.87 1sq8 n ASN 61 Ca -0.10 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1sq8 n ASN 61 Cb 0.31 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 2.29 0.93 3.03 7.41 0.00 0.14 -4.97 105.19 114.02 1sq8 n GLY 62 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32