#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 0.02 -0.89 4.77 -1.26 -4.24 117.00 115.40 1sq8 n LEU 1 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1sq8 n LEU 1 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1sq8 n LEU 1 CO 0.00 0.00 0.71 0.24 -1.33 0.00 0.00 177.39 177.01 1sq8 h MET 2 N 0.00 -0.30 -0.29 3.23 2.86 -1.91 0.21 114.93 118.73 1sq8 h MET 2 Ca 0.00 0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1sq8 h MET 2 Cb 0.00 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.65 1sq8 h MET 2 CO 0.00 -0.20 -0.30 0.78 1.06 0.00 0.00 176.91 178.25 1sq8 h GLY 3 N -0.31 -0.27 1.62 8.32 0.00 -1.74 0.69 103.07 111.38 1sq8 h GLY 3 Ca 0.09 0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.72 1sq8 h GLY 3 CO -0.26 -0.21 -0.18 -2.09 0.00 0.00 0.00 176.54 173.80 1sq8 h GLU 4 N -0.29 0.45 0.06 4.80 4.22 -1.63 0.66 114.58 122.85 1sq8 h GLU 4 Ca 0.14 -0.14 0.02 0.00 0.08 0.00 0.00 59.36 59.46 1sq8 h GLU 4 Cb 0.52 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1sq8 h GLU 4 CO -0.45 0.62 -0.20 0.00 -2.18 0.00 0.00 179.01 176.79 1sq8 h ARG 5 N 0.41 -0.34 0.36 1.92 3.08 0.35 0.28 114.38 120.43 1sq8 h ARG 5 Ca 0.07 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 1sq8 h ARG 5 Cb 0.55 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1sq8 h ARG 5 CO 0.04 -0.23 -0.25 0.82 -1.07 0.00 0.00 179.97 179.27 1sq8 h ILE 6 N -0.36 0.47 -0.31 2.04 2.04 -0.54 -0.04 117.51 120.82 1sq8 h ILE 6 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1sq8 h ILE 6 Cb 0.40 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1sq8 h ILE 6 CO -0.15 0.00 0.20 -0.09 0.00 0.00 0.00 178.15 178.11 1sq8 h ARG 7 N -0.60 0.41 -0.50 2.37 2.43 -0.64 0.11 114.38 117.96 1sq8 h ARG 7 Ca -0.03 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1sq8 h ARG 7 Cb 0.51 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1sq8 h ARG 7 CO 0.01 0.29 -0.13 0.00 -1.51 0.00 0.00 179.97 178.63 1sq8 h ALA 8 N 1.10 0.69 -0.17 2.80 0.00 -0.41 -0.11 119.26 123.16 1sq8 h ALA 8 Ca 0.11 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1sq8 h ALA 8 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1sq8 h ALA 8 CO -0.02 0.62 -0.33 -0.09 0.00 0.00 0.00 179.25 179.43 1sq8 h ARG 9 N 0.84 0.35 -0.50 0.00 9.65 -0.74 0.15 114.38 124.12 1sq8 h ARG 9 Ca 0.13 -0.15 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 1sq8 h ARG 9 Cb 0.69 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 29.21 1sq8 h ARG 9 CO 0.05 0.64 0.20 -0.09 2.80 0.00 0.00 179.97 183.58 1sq8 h ARG 10 N 0.31 0.38 -0.36 0.20 2.43 -0.18 -2.40 114.38 114.76 1sq8 h ARG 10 Ca 0.04 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1sq8 h ARG 10 Cb 0.73 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1sq8 h ARG 10 CO 0.06 0.25 0.07 0.82 -1.51 0.00 0.00 179.97 179.66 1sq8 h ILE 11 N 0.40 1.17 0.00 1.20 1.08 0.26 0.15 117.51 121.77 1sq8 h ILE 11 Ca 0.23 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 1sq8 h ILE 11 Cb 0.21 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1sq8 h ILE 11 CO -0.21 0.23 0.00 1.67 -0.69 0.00 0.00 178.15 179.14 1sq8 n GLN 12 N -4.33 0.10 0.00 2.37 7.27 0.39 -0.33 117.38 122.85 1sq8 n GLN 12 Ca 0.02 0.23 0.01 0.00 0.07 0.00 0.00 57.00 57.33 1sq8 n GLN 12 Cb 0.20 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.35 1sq8 n GLN 12 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1sq8 n LEU 13 N -1.35 0.79 -1.12 1.69 7.94 -0.44 -5.02 117.00 119.49 1sq8 n LEU 13 Ca 0.04 -0.81 -0.14 0.00 -1.11 0.00 0.00 56.01 53.99 1sq8 n LEU 13 Cb 0.09 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.98 1sq8 n LEU 13 CO 0.08 0.18 -0.13 0.61 -1.11 0.00 0.00 177.39 177.02 1sq8 n GLY 14 N 0.49 1.31 3.91 -3.96 0.00 0.55 -4.99 105.19 102.50 1sq8 n GLY 14 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1sq8 n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sq8 s LEU 15 N -3.27 2.98 0.43 0.99 1.43 -0.31 -4.90 118.68 116.03 1sq8 s LEU 15 Ca 0.00 0.79 0.08 0.00 -1.03 0.00 0.00 54.13 53.97 1sq8 s LEU 15 Cb 0.00 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.69 1sq8 s LEU 15 CO 0.00 -1.33 0.57 0.54 0.23 0.00 0.00 176.35 176.36 1sq8 s ASN 16 N -4.39 5.62 0.18 2.29 4.22 -1.26 -4.47 114.94 117.13 1sq8 s ASN 16 Ca 0.57 -0.45 -0.13 0.00 -2.14 0.00 0.00 52.86 50.72 1sq8 s ASN 16 Cb -0.11 -0.62 0.17 0.00 1.28 0.00 0.00 41.25 41.97 1sq8 s ASN 16 CO 0.47 -0.78 1.75 1.56 -2.04 0.00 0.00 177.10 178.07 1sq8 h GLN 17 N 0.63 0.36 -0.42 3.55 4.20 -1.99 -2.74 115.11 118.70 1sq8 h GLN 17 Ca -0.40 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.19 1sq8 h GLN 17 Cb 1.28 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 1sq8 h GLN 17 CO 0.45 0.24 -0.17 0.00 -0.67 0.00 0.00 178.83 178.68 1sq8 h ALA 18 N 1.32 0.91 -0.56 3.87 0.00 -1.94 -0.43 119.26 122.44 1sq8 h ALA 18 Ca 0.24 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1sq8 h ALA 18 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sq8 h ALA 18 CO -0.23 0.62 -0.06 0.93 0.00 0.00 0.00 179.25 180.51 1sq8 h GLU 19 N 0.71 1.01 -0.79 0.00 4.39 -1.95 0.75 114.58 118.71 1sq8 h GLU 19 Ca 0.11 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.49 1sq8 h GLU 19 Cb 0.67 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1sq8 h GLU 19 CO 0.05 1.03 0.52 1.25 -1.16 0.00 0.00 179.01 180.70 1sq8 h LEU 20 N 0.91 0.84 0.29 1.33 5.85 -1.12 -3.01 115.31 120.41 1sq8 h LEU 20 Ca 0.15 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1sq8 h LEU 20 Cb 0.62 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sq8 h LEU 20 CO 0.04 0.58 -0.14 0.00 -0.34 0.00 0.00 178.44 178.58 1sq8 h ALA 21 N 1.54 -0.39 -0.33 1.25 0.00 -0.47 -3.28 119.26 117.58 1sq8 h ALA 21 Ca 0.31 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1sq8 h ALA 21 Cb 0.03 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1sq8 h ALA 21 CO -0.09 -0.54 0.17 0.37 0.00 0.00 0.00 179.25 179.16 1sq8 h GLN 22 N -0.75 0.34 0.00 0.00 5.75 -0.74 -0.97 115.11 118.75 1sq8 h GLN 22 Ca -0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1sq8 h GLN 22 Cb 0.50 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1sq8 h GLN 22 CO 0.07 0.23 0.00 1.57 -2.65 0.00 0.00 178.83 178.04 1sq8 h LYS 23 N 0.35 0.00 0.00 1.69 -0.00 -1.70 -2.54 116.57 114.37 1sq8 h LYS 23 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.77 1sq8 h LYS 23 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.26 1sq8 h LYS 23 CO -0.09 0.00 -0.82 0.28 -0.00 0.00 0.00 179.45 178.82 1sq8 h VAL 24 N 0.00 0.08 0.00 0.07 2.07 -1.28 -3.48 116.25 113.70 1sq8 h VAL 24 Ca 0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1sq8 h VAL 24 Cb 0.69 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1sq8 h VAL 24 CO 0.00 0.04 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1sq8 n GLY 25 N 1.19 0.97 3.95 2.17 0.00 -0.53 -4.93 105.19 108.01 1sq8 n GLY 25 Ca -0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 1.93 0.41 1.61 -7.23 -0.78 -5.01 120.40 109.33 1sq8 s VAL 26 Ca 0.00 -1.30 -0.10 0.00 -1.81 0.00 0.00 61.98 58.77 1sq8 s VAL 26 Cb 0.00 -2.23 -0.06 0.00 0.56 0.00 0.00 36.38 34.65 1sq8 s VAL 26 CO 0.00 0.00 0.77 1.51 -0.31 0.00 0.00 175.10 177.07 1sq8 s ASP 27 N -4.40 6.51 0.26 4.85 -4.77 -1.26 -4.14 116.67 113.72 1sq8 s ASP 27 Ca 0.45 1.13 -0.05 0.00 -3.30 0.00 0.00 52.55 50.77 1sq8 s ASP 27 Cb -0.04 -2.32 0.50 0.00 -1.09 0.00 0.00 42.92 39.98 1sq8 s ASP 27 CO 0.28 -0.40 1.61 -0.61 0.70 0.00 0.00 175.17 176.75 1sq8 h GLN 28 N 1.23 0.06 -0.79 2.11 5.75 -1.86 0.16 115.11 121.77 1sq8 h GLN 28 Ca -0.47 -0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.14 1sq8 h GLN 28 Cb 1.19 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.64 1sq8 h GLN 28 CO 0.64 0.04 0.40 0.37 -2.65 0.00 0.00 178.83 177.63 1sq8 h GLN 29 N 0.07 0.62 -0.78 1.69 -0.00 -1.96 -0.83 115.11 113.92 1sq8 h GLN 29 Ca 0.46 -0.04 0.08 0.00 -0.00 0.00 0.00 58.65 59.15 1sq8 h GLN 29 Cb 0.83 -0.14 -0.07 0.00 0.00 0.00 0.00 27.48 28.10 1sq8 h GLN 29 CO -0.77 0.41 0.44 0.00 0.00 0.00 0.00 178.83 178.91 1sq8 h ALA 30 N 1.49 1.09 -0.24 3.38 0.00 -1.34 0.07 119.26 123.71 1sq8 h ALA 30 Ca 0.41 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.17 1sq8 h ALA 30 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1sq8 h ALA 30 CO -0.31 0.09 -0.56 0.82 0.00 0.00 0.00 179.25 179.29 1sq8 h ILE 31 N 0.77 1.29 -0.07 0.00 1.08 -1.09 -2.09 117.51 117.40 1sq8 h ILE 31 Ca 0.37 -1.77 0.03 0.00 -0.39 0.00 0.00 64.86 63.10 1sq8 h ILE 31 Cb 0.30 1.70 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 1sq8 h ILE 31 CO -0.22 0.57 -0.16 -0.08 -0.69 0.00 0.00 178.15 177.56 1sq8 h GLU 32 N 0.57 -0.22 -0.40 2.37 4.57 -0.45 0.15 114.58 121.17 1sq8 h GLU 32 Ca 0.01 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 1sq8 h GLU 32 Cb 1.14 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1sq8 h GLU 32 CO 0.12 -0.14 -0.10 -0.56 -1.18 0.00 0.00 179.01 177.14 1sq8 h GLN 33 N -0.23 0.70 -0.58 1.92 3.07 -1.00 -0.70 115.11 118.31 1sq8 h GLN 33 Ca 0.08 -0.22 -0.08 0.00 0.09 0.00 0.00 58.65 58.52 1sq8 h GLN 33 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 27.81 1sq8 h GLN 33 CO -0.21 0.79 0.07 -0.07 0.09 0.00 0.00 178.83 179.50 1sq8 h LEU 34 N 0.64 0.94 -1.08 0.06 3.38 -0.89 0.22 115.31 118.59 1sq8 h LEU 34 Ca 0.11 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 1sq8 h LEU 34 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1sq8 h LEU 34 CO 0.03 0.98 -0.16 -0.33 0.09 0.00 0.00 178.44 179.05 1sq8 h GLU 35 N 0.87 0.46 0.00 1.13 5.08 -0.40 -0.27 114.58 121.46 1sq8 h GLU 35 Ca 0.17 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1sq8 h GLU 35 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1sq8 h GLU 35 CO 0.02 0.62 0.00 0.09 -1.00 0.00 0.00 179.01 178.73 1sq8 n ASN 36 N -4.18 0.00 -0.84 1.42 3.02 -0.30 -4.25 115.26 110.13 1sq8 n ASN 36 Ca 0.00 0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.55 1sq8 n ASN 36 Cb 0.34 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 1sq8 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sq8 n GLY 37 N 0.17 1.14 0.17 7.41 0.00 -0.11 -4.89 105.19 109.07 1sq8 n GLY 37 Ca 0.07 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.07 0.53 -5.47 1.61 1.57 -0.80 -3.35 116.57 110.73 1sq8 h LYS 38 Ca -0.22 -0.45 -0.63 0.00 -1.87 0.00 0.00 60.65 57.47 1sq8 h LYS 38 Cb 0.96 0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.22 1sq8 h LYS 38 CO 0.33 1.08 0.66 0.00 -0.57 0.00 0.00 179.45 180.95 1sq8 s ALA 39 N -3.62 3.11 0.01 3.86 0.00 -1.18 -4.93 121.76 119.01 1sq8 s ALA 39 Ca -0.13 -1.97 -0.25 0.00 0.00 0.00 0.00 51.96 49.61 1sq8 s ALA 39 Cb 0.06 -3.95 -0.15 0.00 0.00 0.00 0.00 23.12 19.08 1sq8 s ALA 39 CO 0.83 -2.88 1.16 -0.22 0.00 0.00 0.00 175.76 174.66 1sq8 h LYS 40 N 9.50 -0.62 -4.71 0.00 3.11 -1.93 -3.38 116.57 118.53 1sq8 h LYS 40 Ca -0.20 0.04 -0.65 0.00 -2.81 0.00 0.00 60.65 57.03 1sq8 h LYS 40 Cb 1.06 0.14 -0.38 0.00 -1.00 0.00 0.00 32.23 32.05 1sq8 h LYS 40 CO 1.19 -0.31 -0.79 1.03 -2.81 0.00 0.00 179.45 177.75 1sq8 s ARG 41 N -4.64 2.02 0.72 1.90 3.00 -1.26 -5.04 118.95 115.65 1sq8 s ARG 41 Ca -0.14 -1.29 -0.12 0.00 0.00 0.00 0.00 55.73 54.18 1sq8 s ARG 41 Cb 0.02 -2.82 0.03 0.00 0.00 0.00 0.00 34.95 32.17 1sq8 s ARG 41 CO 0.48 -0.60 1.09 -1.25 0.00 0.00 0.00 175.30 175.02 1sq8 s PRO 42 N 1.17 2.55 0.29 3.54 0.04 -1.26 -4.95 135.00 136.37 1sq8 s PRO 42 Ca -0.07 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 1sq8 s PRO 42 Cb -0.20 -1.93 0.41 0.00 0.04 0.00 0.00 34.50 32.83 1sq8 s PRO 42 CO -0.06 -1.42 1.90 0.07 0.04 0.00 0.00 177.00 177.53 1sq8 h ARG 43 N -0.60 0.98 -0.45 4.56 -0.00 -2.00 -2.98 114.38 113.90 1sq8 h ARG 43 Ca -0.45 -0.12 0.00 0.00 -0.00 0.00 0.00 59.98 59.41 1sq8 h ARG 43 Cb 1.23 -0.19 0.00 0.00 -0.00 0.00 0.00 29.97 31.02 1sq8 h ARG 43 CO 0.53 0.75 0.00 1.97 -0.00 0.00 0.00 179.97 183.21 1sq8 n PHE 44 N -4.35 0.56 -0.29 4.08 -1.74 -1.26 -4.59 117.46 109.87 1sq8 n PHE 44 Ca 0.07 -0.24 0.10 0.00 -0.56 0.00 0.00 57.45 56.81 1sq8 n PHE 44 Cb 0.12 -0.07 0.23 0.00 1.52 0.00 0.00 39.48 41.28 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 1.86 -0.31 -0.89 5.98 6.46 -1.91 -0.25 115.31 126.25 1sq8 h LEU 45 Ca 0.00 0.22 -0.10 0.00 -0.12 0.00 0.00 57.88 57.88 1sq8 h LEU 45 Cb 0.62 0.37 -0.01 0.00 -0.73 0.00 0.00 40.66 40.90 1sq8 h LEU 45 CO 0.05 -0.23 -0.25 1.55 -0.62 0.00 0.00 178.44 178.95 1sq8 h PRO 46 N 0.10 0.53 -0.26 5.25 0.13 -1.89 0.61 132.00 136.47 1sq8 h PRO 46 Ca 0.50 -0.20 -0.09 0.00 -0.87 0.00 0.00 66.00 65.34 1sq8 h PRO 46 Cb 0.97 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1sq8 h PRO 46 CO -0.75 0.74 -0.20 0.93 -0.23 0.00 0.00 178.00 178.50 1sq8 h GLU 47 N 0.47 0.59 0.23 0.86 5.08 -1.47 0.25 114.58 120.59 1sq8 h GLU 47 Ca 0.07 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1sq8 h GLU 47 Cb 0.68 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1sq8 h GLU 47 CO 0.05 0.87 -0.15 1.25 -1.00 0.00 0.00 179.01 180.04 1sq8 h LEU 48 N 0.31 -0.37 -0.48 1.33 6.46 -1.02 -0.31 115.31 121.22 1sq8 h LEU 48 Ca 0.05 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1sq8 h LEU 48 Cb 0.74 0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 1sq8 h LEU 48 CO 0.05 -0.24 0.24 0.00 -0.62 0.00 0.00 178.44 177.87 1sq8 h ALA 49 N 0.39 0.62 0.20 1.25 0.00 -0.75 0.37 119.26 121.35 1sq8 h ALA 49 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sq8 h ALA 49 Cb 0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1sq8 h ALA 49 CO 0.01 0.17 -0.32 -0.09 0.00 0.00 0.00 179.25 179.03 1sq8 h ARG 50 N 0.64 -0.57 0.00 0.00 2.43 -0.89 0.20 114.38 116.19 1sq8 h ARG 50 Ca 0.17 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1sq8 h ARG 50 Cb 0.10 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1sq8 h ARG 50 CO -0.02 -0.38 -0.23 0.00 -1.51 0.00 0.00 179.97 177.82 1sq8 h ALA 51 N 0.01 0.99 0.00 2.80 0.00 -0.60 -1.16 119.26 121.30 1sq8 h ALA 51 Ca 0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1sq8 h ALA 51 Cb 0.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1sq8 h ALA 51 CO -0.14 0.29 -0.29 1.25 0.00 0.00 0.00 179.25 180.36 1sq8 h LEU 52 N 0.00 0.00 -0.04 0.00 5.85 -0.10 -3.49 115.31 117.54 1sq8 h LEU 52 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1sq8 h LEU 52 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1sq8 h LEU 52 CO 0.03 0.29 0.00 0.61 -0.34 0.00 0.00 178.44 179.03 1sq8 n GLY 53 N 0.76 1.29 3.38 3.75 0.00 0.47 -5.02 105.19 109.82 1sq8 n GLY 53 Ca 0.02 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.04 0.57 0.51 1.61 -7.23 0.18 -5.00 120.40 109.01 1sq8 s VAL 54 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 1sq8 s VAL 54 Cb 0.00 -2.56 -0.08 0.00 0.56 0.00 0.00 36.38 34.31 1sq8 s VAL 54 CO 0.00 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 175.79 1sq8 s ALA 55 N -3.52 2.96 0.42 1.32 0.00 -1.26 -3.79 121.76 117.89 1sq8 s ALA 55 Ca 0.34 0.34 0.15 0.00 0.00 0.00 0.00 51.96 52.78 1sq8 s ALA 55 Cb 0.06 -3.17 1.03 0.00 0.00 0.00 0.00 23.12 21.03 1sq8 s ALA 55 CO 0.16 -0.31 1.93 0.28 0.00 0.00 0.00 175.76 177.81 1sq8 h VAL 56 N 1.09 0.82 -0.71 0.00 2.07 -1.90 -0.47 116.25 117.15 1sq8 h VAL 56 Ca -0.48 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1sq8 h VAL 56 Cb 1.20 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1sq8 h VAL 56 CO 0.60 0.08 0.31 -0.78 0.02 0.00 0.00 177.57 177.80 1sq8 h ASP 57 N 0.44 0.95 -0.54 0.57 1.82 -1.98 0.33 116.42 118.01 1sq8 h ASP 57 Ca 0.36 -0.15 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 1sq8 h ASP 57 Cb 0.79 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.53 1sq8 h ASP 57 CO -0.12 0.84 0.23 -0.25 -1.61 0.00 0.00 179.24 178.33 1sq8 h TRP 58 N 1.00 0.80 0.19 0.28 7.01 -1.66 0.13 115.95 123.71 1sq8 h TRP 58 Ca 0.24 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1sq8 h TRP 58 Cb 0.16 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1sq8 h TRP 58 CO 0.01 0.64 -0.09 -0.07 -2.79 0.00 0.00 178.44 176.14 1sq8 h LEU 59 N 0.72 -0.21 -0.27 0.65 3.38 -0.37 0.22 115.31 119.43 1sq8 h LEU 59 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1sq8 h LEU 59 Cb 0.17 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1sq8 h LEU 59 CO -0.02 -0.13 0.10 -0.07 0.09 0.00 0.00 178.44 178.42 1sq8 h LEU 60 N -0.28 0.38 0.00 1.67 3.38 -0.26 -3.39 115.31 116.80 1sq8 h LEU 60 Ca -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1sq8 h LEU 60 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sq8 h LEU 60 CO 0.04 0.45 -0.83 0.59 0.09 0.00 0.00 178.44 178.79 1sq8 n ASN 61 N -4.75 4.14 -2.00 -0.43 3.02 0.46 -4.92 115.26 110.77 1sq8 n ASN 61 Ca -0.03 -0.05 -0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1sq8 n ASN 61 Cb 0.14 0.93 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 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 2.18 -0.62 0.00 7.41 0.00 0.75 -4.99 105.19 109.91 1sq8 n GLY 62 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 46.02 46.13 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32