#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 -4.94 117.00 118.77 1sq8 n LEU 1 Ca 0.00 -1.76 -0.10 0.00 -0.03 0.00 0.00 56.01 54.11 1sq8 n LEU 1 Cb 0.00 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 1sq8 n LEU 1 CO 0.00 -0.88 0.70 0.24 -1.33 0.00 0.00 177.39 176.12 1sq8 h MET 2 N 0.00 -0.32 -0.33 3.23 2.86 -1.83 -1.64 114.93 116.89 1sq8 h MET 2 Ca -0.27 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1sq8 h MET 2 Cb 1.01 0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 1sq8 h MET 2 CO 0.29 -0.21 -0.03 0.78 1.06 0.00 0.00 176.91 178.80 1sq8 h GLY 3 N -0.33 0.30 1.07 8.32 0.00 -1.75 0.42 103.07 111.09 1sq8 h GLY 3 Ca 0.08 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.41 1sq8 h GLY 3 CO -0.26 -0.10 0.16 0.83 0.00 0.00 0.00 176.54 177.18 1sq8 h GLU 4 N 0.06 1.15 -0.16 4.80 4.39 -1.73 -1.07 114.58 122.01 1sq8 h GLU 4 Ca 0.16 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.62 1sq8 h GLU 4 Cb 0.23 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 1sq8 h GLU 4 CO -0.30 1.01 -0.12 0.00 -1.16 0.00 0.00 179.01 178.44 1sq8 h ARG 5 N 1.08 -0.12 -0.18 2.33 3.08 -0.51 0.17 114.38 120.23 1sq8 h ARG 5 Ca 0.22 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 1sq8 h ARG 5 Cb 0.39 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1sq8 h ARG 5 CO 0.00 -0.08 0.03 0.82 -1.07 0.00 0.00 179.97 179.67 1sq8 h ILE 6 N -0.13 1.22 -0.45 2.04 2.04 -0.75 -0.07 117.51 121.42 1sq8 h ILE 6 Ca 0.10 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.26 1sq8 h ILE 6 Cb 0.27 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1sq8 h ILE 6 CO -0.24 0.22 0.26 -0.09 0.00 0.00 0.00 178.15 178.30 1sq8 h ARG 7 N 0.09 0.51 0.66 2.37 1.12 -1.06 -1.78 114.38 116.29 1sq8 h ARG 7 Ca 0.06 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.87 1sq8 h ARG 7 Cb 0.30 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1sq8 h ARG 7 CO 0.00 0.34 -0.39 0.00 -3.11 0.00 0.00 179.97 176.81 1sq8 h ALA 8 N 1.21 -1.22 -0.50 2.80 0.00 -0.36 -1.48 119.26 119.71 1sq8 h ALA 8 Ca 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sq8 h ALA 8 Cb 0.03 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1sq8 h ALA 8 CO -0.09 -1.17 0.19 -0.09 0.00 0.00 0.00 179.25 178.09 1sq8 h ARG 9 N -0.98 0.72 0.12 0.00 1.12 -1.03 0.21 114.38 114.54 1sq8 h ARG 9 Ca -0.09 -0.10 0.01 0.00 -1.11 0.00 0.00 59.98 58.68 1sq8 h ARG 9 Cb 0.78 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.59 1sq8 h ARG 9 CO 0.10 0.60 -0.13 -0.09 -3.11 0.00 0.00 179.97 177.34 1sq8 h ARG 10 N 0.71 -0.27 -0.25 0.20 2.43 -1.22 -0.31 114.38 115.67 1sq8 h ARG 10 Ca 0.17 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1sq8 h ARG 10 Cb 0.15 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1sq8 h ARG 10 CO -0.02 -0.18 -0.22 0.82 -1.51 0.00 0.00 179.97 178.86 1sq8 h ILE 11 N -0.28 1.25 -0.75 1.20 1.08 -0.49 -0.18 117.51 119.35 1sq8 h ILE 11 Ca 0.01 -1.18 0.07 0.00 -0.39 0.00 0.00 64.86 63.37 1sq8 h ILE 11 Cb 0.28 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.28 1sq8 h ILE 11 CO -0.04 0.38 0.49 -0.61 -0.69 0.00 0.00 178.15 177.67 1sq8 h GLN 12 N 0.41 0.72 -0.00 2.37 4.15 -0.42 -0.14 115.11 122.20 1sq8 h GLN 12 Ca 0.07 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1sq8 h GLN 12 Cb 0.61 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.14 1sq8 h GLN 12 CO 0.04 0.48 -0.09 -0.11 -1.93 0.00 0.00 178.83 177.23 1sq8 n LEU 13 N -4.49 0.33 -1.06 -2.39 7.94 -0.14 -4.93 117.00 112.25 1sq8 n LEU 13 Ca 0.11 0.09 -0.14 0.00 -1.11 0.00 0.00 56.01 54.97 1sq8 n LEU 13 Cb 0.26 -0.21 -0.06 0.00 0.53 0.00 0.00 43.42 43.93 1sq8 n LEU 13 CO 0.33 0.06 -0.13 0.61 -1.11 0.00 0.00 177.39 177.15 1sq8 n GLY 14 N 1.29 1.31 3.92 -3.96 0.00 -0.07 -4.98 105.19 102.70 1sq8 n GLY 14 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.15 3.44 0.52 0.99 1.43 -0.42 -4.96 118.68 116.53 1sq8 s LEU 15 Ca 0.00 0.64 0.05 0.00 -1.03 0.00 0.00 54.13 53.79 1sq8 s LEU 15 Cb 0.00 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.75 1sq8 s LEU 15 CO 0.00 -0.85 0.71 0.20 0.23 0.00 0.00 176.35 176.64 1sq8 s ASN 16 N -4.24 5.33 0.10 2.29 0.01 -1.26 -4.39 114.94 112.78 1sq8 s ASN 16 Ca 0.51 -0.30 -0.25 0.00 -0.71 0.00 0.00 52.86 52.10 1sq8 s ASN 16 Cb -0.10 -0.58 -0.12 0.00 0.41 0.00 0.00 41.25 40.86 1sq8 s ASN 16 CO 0.43 -1.07 1.69 1.56 -1.51 0.00 0.00 177.10 178.20 1sq8 h GLN 17 N 0.26 -0.24 -0.95 -0.60 4.20 -1.98 -1.12 115.11 114.68 1sq8 h GLN 17 Ca -0.39 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.34 1sq8 h GLN 17 Cb 1.29 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.07 1sq8 h GLN 17 CO 0.47 -0.16 0.63 0.00 -0.67 0.00 0.00 178.83 179.09 1sq8 h ALA 18 N 0.62 1.31 -0.10 3.87 0.00 -1.93 0.46 119.26 123.48 1sq8 h ALA 18 Ca 0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1sq8 h ALA 18 Cb 0.25 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1sq8 h ALA 18 CO -0.04 0.64 -0.14 0.93 0.00 0.00 0.00 179.25 180.63 1sq8 h GLU 19 N 1.29 0.28 0.01 0.00 4.39 -1.91 0.75 114.58 119.39 1sq8 h GLU 19 Ca 0.35 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.91 1sq8 h GLU 19 Cb -0.14 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1sq8 h GLU 19 CO -0.07 0.73 -0.17 1.25 -1.16 0.00 0.00 179.01 179.59 1sq8 h LEU 20 N -0.14 -0.49 -0.15 1.33 5.85 -1.01 -1.79 115.31 118.91 1sq8 h LEU 20 Ca 0.01 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.85 1sq8 h LEU 20 Cb 0.70 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.86 1sq8 h LEU 20 CO 0.03 -0.23 -0.35 0.00 -0.34 0.00 0.00 178.44 177.55 1sq8 h ALA 21 N 0.63 -0.42 -0.63 1.25 0.00 -0.78 -1.16 119.26 118.15 1sq8 h ALA 21 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1sq8 h ALA 21 Cb 0.35 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1sq8 h ALA 21 CO -0.15 -0.83 0.29 0.37 0.00 0.00 0.00 179.25 178.93 1sq8 h GLN 22 N -0.42 0.50 0.00 0.00 4.15 -0.69 0.22 115.11 118.87 1sq8 h GLN 22 Ca 0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1sq8 h GLN 22 Cb 0.57 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 1sq8 h GLN 22 CO -0.38 0.33 -0.12 -0.22 -1.93 0.00 0.00 178.83 176.52 1sq8 h LYS 23 N 0.52 0.00 0.00 1.69 3.11 -0.57 -2.15 116.57 119.18 1sq8 h LYS 23 Ca 0.31 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.95 1sq8 h LYS 23 Cb 0.31 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.56 1sq8 h LYS 23 CO -0.25 0.12 -0.76 0.28 -2.81 0.00 0.00 179.45 176.02 1sq8 h VAL 24 N 0.00 1.38 0.00 2.00 2.07 -0.48 -3.49 116.25 117.73 1sq8 h VAL 24 Ca -0.00 -2.15 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1sq8 h VAL 24 Cb 0.89 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1sq8 h VAL 24 CO 0.02 0.64 0.00 0.61 0.02 0.00 0.00 177.57 178.85 1sq8 n GLY 25 N 1.09 1.51 3.94 2.17 0.00 0.58 -4.93 105.19 109.56 1sq8 n GLY 25 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.45 2.10 0.40 1.61 -7.23 -0.14 -4.83 120.40 110.86 1sq8 s VAL 26 Ca 0.00 -0.22 -0.11 0.00 -1.81 0.00 0.00 61.98 59.84 1sq8 s VAL 26 Cb 0.00 -2.88 -0.07 0.00 0.56 0.00 0.00 36.38 33.99 1sq8 s VAL 26 CO 0.00 0.00 0.78 1.51 -0.31 0.00 0.00 175.10 177.08 1sq8 s ASP 27 N -4.74 6.56 0.25 4.85 1.47 -1.26 -3.34 116.67 120.45 1sq8 s ASP 27 Ca 0.68 1.17 -0.03 0.00 1.18 0.00 0.00 52.55 55.55 1sq8 s ASP 27 Cb -0.06 -2.34 0.49 0.00 -0.34 0.00 0.00 42.92 40.67 1sq8 s ASP 27 CO 0.48 -0.38 1.74 -0.61 0.68 0.00 0.00 175.17 177.09 1sq8 h GLN 28 N 1.37 0.51 -0.74 2.11 4.15 -1.84 -2.51 115.11 118.16 1sq8 h GLN 28 Ca -0.47 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 58.96 1sq8 h GLN 28 Cb 1.19 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.71 1sq8 h GLN 28 CO 0.64 0.34 0.45 0.37 -1.93 0.00 0.00 178.83 178.70 1sq8 h GLN 29 N 0.52 0.83 -0.72 1.69 4.15 -1.94 0.05 115.11 119.71 1sq8 h GLN 29 Ca 0.43 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.94 1sq8 h GLN 29 Cb 0.64 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 28.09 1sq8 h GLN 29 CO -0.38 0.55 0.48 0.00 -1.93 0.00 0.00 178.83 177.55 1sq8 h ALA 30 N 1.33 2.09 -0.18 3.38 0.00 -1.85 -1.26 119.26 122.79 1sq8 h ALA 30 Ca 0.31 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.00 1sq8 h ALA 30 Cb 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sq8 h ALA 30 CO -0.14 -0.28 -0.74 0.82 0.00 0.00 0.00 179.25 178.92 1sq8 h ILE 31 N 0.41 1.28 -0.05 0.00 1.08 -1.03 -2.58 117.51 116.63 1sq8 h ILE 31 Ca 0.35 -1.93 -0.00 0.00 -0.39 0.00 0.00 64.86 62.89 1sq8 h ILE 31 Cb 0.78 1.93 -0.00 0.00 -3.07 0.00 0.00 36.82 36.45 1sq8 h ILE 31 CO -0.11 0.61 0.02 -0.08 -0.69 0.00 0.00 178.15 177.91 1sq8 h GLU 32 N 0.56 0.06 -0.30 2.37 4.57 -0.82 -0.09 114.58 120.93 1sq8 h GLU 32 Ca -0.04 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1sq8 h GLU 32 Cb 1.37 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.93 1sq8 h GLU 32 CO 0.15 0.14 -0.06 -0.56 -1.18 0.00 0.00 179.01 177.50 1sq8 h GLN 33 N -0.02 0.48 -0.55 1.92 3.07 -1.33 -1.69 115.11 116.98 1sq8 h GLN 33 Ca 0.02 -0.12 -0.08 0.00 0.09 0.00 0.00 58.65 58.56 1sq8 h GLN 33 Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.57 1sq8 h GLN 33 CO -0.00 0.56 0.04 -0.07 0.09 0.00 0.00 178.83 179.45 1sq8 h LEU 34 N 0.46 0.92 -0.20 0.06 3.38 -1.09 0.28 115.31 119.12 1sq8 h LEU 34 Ca 0.09 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1sq8 h LEU 34 Cb 0.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1sq8 h LEU 34 CO 0.02 0.98 0.01 -0.33 0.09 0.00 0.00 178.44 179.21 1sq8 h GLU 35 N 0.83 0.07 0.00 1.13 5.08 -0.42 -2.05 114.58 119.23 1sq8 h GLU 35 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1sq8 h GLU 35 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1sq8 h GLU 35 CO 0.02 0.05 0.00 0.27 -1.00 0.00 0.00 179.01 178.35 1sq8 n ASN 36 N -5.12 0.00 0.00 1.42 0.23 -0.69 -4.32 115.26 106.78 1sq8 n ASN 36 Ca -0.02 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.19 1sq8 n ASN 36 Cb 0.10 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 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 0.97 0.70 0.10 4.83 0.00 -0.69 -4.98 105.19 106.12 1sq8 n GLY 37 Ca 0.22 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 1.76 0.20 -4.73 1.61 1.79 -0.70 -3.41 116.57 113.08 1sq8 h LYS 38 Ca 0.00 -0.30 -0.68 0.00 -2.18 0.00 0.00 60.65 57.49 1sq8 h LYS 38 Cb 0.00 0.11 -0.19 0.00 -1.58 0.00 0.00 32.23 30.57 1sq8 h LYS 38 CO 0.00 1.11 -0.46 0.00 -1.08 0.00 0.00 179.45 179.02 1sq8 s ALA 39 N -2.81 3.50 0.00 3.86 0.00 -1.21 -4.98 121.76 120.13 1sq8 s ALA 39 Ca -0.03 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1sq8 s ALA 39 Cb 0.08 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.51 1sq8 s ALA 39 CO 0.86 -1.00 0.12 1.17 0.00 0.00 0.00 175.76 176.90 1sq8 n LYS 40 N 5.13 0.00 -3.93 0.00 0.00 -1.26 -4.69 118.16 113.41 1sq8 n LYS 40 Ca -0.12 0.19 -0.30 0.00 0.00 0.00 0.00 58.31 58.08 1sq8 n LYS 40 Cb 0.50 -0.78 -0.14 0.00 0.00 0.00 0.00 35.03 34.61 1sq8 n LYS 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1sq8 s ARG 41 N -0.62 1.86 0.87 1.64 3.52 -1.26 -5.07 118.95 119.89 1sq8 s ARG 41 Ca 0.00 -2.49 -0.12 0.00 -0.13 0.00 0.00 55.73 52.99 1sq8 s ARG 41 Cb 0.00 -3.21 0.11 0.00 -1.56 0.00 0.00 34.95 30.29 1sq8 s ARG 41 CO 0.00 -1.10 1.11 -1.25 -0.81 0.00 0.00 175.30 173.25 1sq8 s PRO 42 N -0.11 1.47 0.23 5.12 0.04 -1.26 -4.97 135.00 135.51 1sq8 s PRO 42 Ca 0.16 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 61.66 1sq8 s PRO 42 Cb -0.25 -1.86 0.38 0.00 0.04 0.00 0.00 34.50 32.81 1sq8 s PRO 42 CO -0.01 -2.02 1.72 0.07 0.04 0.00 0.00 177.00 176.80 1sq8 h ARG 43 N -1.38 0.37 -0.02 4.56 0.11 -2.02 -2.71 114.38 113.28 1sq8 h ARG 43 Ca -0.49 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.56 1sq8 h ARG 43 Cb 1.30 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1sq8 h ARG 43 CO 0.59 0.24 0.00 1.97 0.10 0.00 0.00 179.97 182.88 1sq8 n PHE 44 N -5.04 0.03 -0.27 4.08 1.16 -1.26 -4.52 117.46 111.64 1sq8 n PHE 44 Ca 0.12 -0.01 0.08 0.00 -1.87 0.00 0.00 57.45 55.76 1sq8 n PHE 44 Cb 0.36 0.00 0.22 0.00 -1.61 0.00 0.00 39.48 38.45 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 0.27 0.07 -1.15 5.98 5.85 -1.87 0.20 115.31 124.65 1sq8 h LEU 45 Ca 0.00 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1sq8 h LEU 45 Cb 0.06 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1sq8 h LEU 45 CO 0.00 -0.05 -0.42 1.55 -0.34 0.00 0.00 178.44 179.18 1sq8 h PRO 46 N 0.29 0.00 0.04 5.25 0.13 -1.89 -1.08 132.00 134.74 1sq8 h PRO 46 Ca 0.46 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.59 1sq8 h PRO 46 Cb 0.83 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1sq8 h PRO 46 CO -0.54 0.42 -0.02 0.93 -0.23 0.00 0.00 178.00 178.57 1sq8 h GLU 47 N 0.00 -0.05 -0.66 0.86 5.08 -1.04 0.38 114.58 119.15 1sq8 h GLU 47 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1sq8 h GLU 47 Cb 0.75 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1sq8 h GLU 47 CO 0.05 0.38 0.39 1.25 -1.00 0.00 0.00 179.01 180.08 1sq8 h LEU 48 N -0.49 0.80 -0.04 1.33 6.46 -0.99 0.53 115.31 122.92 1sq8 h LEU 48 Ca -0.01 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1sq8 h LEU 48 Cb 0.45 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1sq8 h LEU 48 CO 0.01 0.64 -0.04 0.00 -0.62 0.00 0.00 178.44 178.43 1sq8 h ALA 49 N 1.20 -0.00 -0.07 1.25 0.00 -1.13 0.16 119.26 120.67 1sq8 h ALA 49 Ca 0.24 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1sq8 h ALA 49 Cb -0.01 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1sq8 h ALA 49 CO -0.04 -0.52 -0.08 -0.09 0.00 0.00 0.00 179.25 178.52 1sq8 h ARG 50 N -0.05 -0.11 -0.36 0.00 2.43 -0.61 -0.02 114.38 115.67 1sq8 h ARG 50 Ca 0.03 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1sq8 h ARG 50 Cb 0.09 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1sq8 h ARG 50 CO -0.07 -0.07 0.10 0.00 -1.51 0.00 0.00 179.97 178.43 1sq8 h ALA 51 N 0.94 1.51 0.00 2.80 0.00 -0.72 -2.03 119.26 121.76 1sq8 h ALA 51 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1sq8 h ALA 51 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1sq8 h ALA 51 CO -0.13 0.37 -0.27 1.25 0.00 0.00 0.00 179.25 180.46 1sq8 h LEU 52 N 0.51 0.00 0.00 0.00 5.85 -0.10 -3.48 115.31 118.09 1sq8 h LEU 52 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1sq8 h LEU 52 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1sq8 h LEU 52 CO -0.01 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 178.98 1sq8 n GLY 53 N 0.49 1.21 3.22 3.75 0.00 -0.14 -5.07 105.19 108.66 1sq8 n GLY 53 Ca 0.01 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 0.28 0.62 1.61 -7.23 -0.48 -5.03 120.40 108.17 1sq8 s VAL 54 Ca 0.00 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 1sq8 s VAL 54 Cb 0.00 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 1sq8 s VAL 54 CO 0.00 -0.19 1.03 0.00 -0.31 0.00 0.00 175.10 175.63 1sq8 s ALA 55 N -3.95 3.09 0.34 1.32 0.00 -1.26 -3.81 121.76 117.49 1sq8 s ALA 55 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.19 1sq8 s ALA 55 Cb 0.07 -3.07 0.59 0.00 0.00 0.00 0.00 23.12 20.71 1sq8 s ALA 55 CO 0.09 -0.71 1.99 0.28 0.00 0.00 0.00 175.76 177.41 1sq8 h VAL 56 N -0.33 1.16 -0.58 0.00 2.07 -1.91 -0.08 116.25 116.58 1sq8 h VAL 56 Ca -0.44 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 1sq8 h VAL 56 Cb 1.19 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1sq8 h VAL 56 CO 0.62 0.17 0.09 -0.78 0.02 0.00 0.00 177.57 177.69 1sq8 h ASP 57 N 0.93 0.90 -0.37 0.57 1.82 -1.98 0.28 116.42 118.56 1sq8 h ASP 57 Ca 0.26 -0.20 -0.03 0.00 -0.39 0.00 0.00 57.03 56.67 1sq8 h ASP 57 Cb -0.07 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.69 1sq8 h ASP 57 CO -0.06 0.90 0.11 -0.25 -1.61 0.00 0.00 179.24 178.34 1sq8 h TRP 58 N 0.89 0.60 0.25 0.28 7.01 -1.81 0.71 115.95 123.89 1sq8 h TRP 58 Ca 0.18 -0.06 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1sq8 h TRP 58 Cb 0.40 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1sq8 h TRP 58 CO 0.03 0.58 -0.23 -0.07 -2.79 0.00 0.00 178.44 175.95 1sq8 h LEU 59 N 0.45 -0.62 -0.16 0.65 3.38 -0.46 0.20 115.31 118.75 1sq8 h LEU 59 Ca 0.12 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1sq8 h LEU 59 Cb 0.26 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1sq8 h LEU 59 CO -0.00 -0.35 -0.05 -0.07 0.09 0.00 0.00 178.44 178.06 1sq8 h LEU 60 N -0.51 -0.18 0.00 1.67 3.38 -0.32 -3.41 115.31 115.94 1sq8 h LEU 60 Ca -0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1sq8 h LEU 60 Cb 0.47 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1sq8 h LEU 60 CO -0.05 -0.07 -1.06 0.59 0.09 0.00 0.00 178.44 177.95 1sq8 n ASN 61 N -5.19 2.30 -0.34 -0.43 3.02 0.23 -4.67 115.26 110.18 1sq8 n ASN 61 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 1sq8 n ASN 61 Cb 0.12 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 3.23 0.53 0.00 7.41 0.00 0.70 -4.92 105.19 112.15 1sq8 n GLY 62 Ca -0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32