#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 3.47 0.12 -0.89 1.43 -1.26 -5.03 118.68 116.53 1sq8 s LEU 1 Ca 0.00 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.20 1sq8 s LEU 1 Cb 0.00 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.96 1sq8 s LEU 1 CO 0.00 -0.64 1.65 0.24 0.23 0.00 0.00 176.35 177.83 1sq8 h MET 2 N 0.97 -0.32 -0.84 1.70 2.86 -1.92 -1.49 114.93 115.90 1sq8 h MET 2 Ca -0.41 0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.40 1sq8 h MET 2 Cb 1.27 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 32.85 1sq8 h MET 2 CO 0.55 -0.21 -0.27 0.78 1.06 0.00 0.00 176.91 178.82 1sq8 h GLY 3 N -0.33 0.40 0.93 8.32 0.00 -1.75 0.44 103.07 111.08 1sq8 h GLY 3 Ca 0.06 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1sq8 h GLY 3 CO -0.18 -0.29 0.09 0.83 0.00 0.00 0.00 176.54 176.99 1sq8 h GLU 4 N -0.03 0.22 -0.79 4.80 5.08 -1.65 -1.78 114.58 120.43 1sq8 h GLU 4 Ca 0.37 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.80 1sq8 h GLU 4 Cb 0.61 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.75 1sq8 h GLU 4 CO -0.87 0.24 0.44 0.07 -1.00 0.00 0.00 179.01 177.89 1sq8 h ARG 5 N 0.15 0.73 0.03 2.33 0.11 -0.03 0.13 114.38 117.83 1sq8 h ARG 5 Ca 0.06 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 1sq8 h ARG 5 Cb 0.08 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.00 1sq8 h ARG 5 CO -0.01 0.48 -0.01 0.82 0.10 0.00 0.00 179.97 181.35 1sq8 h ILE 6 N 0.75 1.11 -0.47 0.08 2.04 -0.08 -0.04 117.51 120.90 1sq8 h ILE 6 Ca 0.38 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.86 1sq8 h ILE 6 Cb 0.35 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 1sq8 h ILE 6 CO -0.25 0.10 0.26 -0.09 0.00 0.00 0.00 178.15 178.18 1sq8 h ARG 7 N -0.21 0.50 0.70 2.37 2.43 -0.60 -0.56 114.38 119.01 1sq8 h ARG 7 Ca -0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1sq8 h ARG 7 Cb 0.20 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1sq8 h ARG 7 CO 0.01 0.33 -0.45 0.00 -1.51 0.00 0.00 179.97 178.35 1sq8 h ALA 8 N 1.22 -1.13 -0.18 2.80 0.00 -0.46 -0.42 119.26 121.10 1sq8 h ALA 8 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1sq8 h ALA 8 Cb 0.05 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1sq8 h ALA 8 CO -0.11 -1.15 -0.42 -0.09 0.00 0.00 0.00 179.25 177.49 1sq8 h ARG 9 N -1.08 0.43 0.28 0.00 9.65 -0.99 0.16 114.38 122.83 1sq8 h ARG 9 Ca -0.09 -0.22 0.01 0.00 -1.10 0.00 0.00 59.98 58.58 1sq8 h ARG 9 Cb 0.88 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.43 1sq8 h ARG 9 CO 0.08 0.77 -0.41 -0.09 2.80 0.00 0.00 179.97 183.12 1sq8 h ARG 10 N 0.35 -0.72 -0.29 0.20 2.43 -0.92 -1.38 114.38 114.05 1sq8 h ARG 10 Ca 0.03 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1sq8 h ARG 10 Cb 0.88 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1sq8 h ARG 10 CO 0.07 -0.48 -0.04 0.82 -1.51 0.00 0.00 179.97 178.83 1sq8 h ILE 11 N -0.75 1.19 -0.61 1.20 1.08 -0.84 0.13 117.51 118.91 1sq8 h ILE 11 Ca -0.01 -0.79 -0.01 0.00 -0.39 0.00 0.00 64.86 63.66 1sq8 h ILE 11 Cb 0.71 1.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 1sq8 h ILE 11 CO -0.14 0.27 0.34 -0.61 -0.69 0.00 0.00 178.15 177.32 1sq8 h GLN 12 N 0.43 0.83 0.00 2.37 -0.00 -0.48 0.93 115.11 119.19 1sq8 h GLN 12 Ca 0.09 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1sq8 h GLN 12 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1sq8 h GLN 12 CO 0.01 0.60 0.00 1.25 0.00 0.00 0.00 178.83 180.69 1sq8 h LEU 13 N 0.84 0.00 0.38 -2.39 5.85 -0.49 -3.48 115.31 116.03 1sq8 h LEU 13 Ca 0.22 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.80 1sq8 h LEU 13 Cb 0.00 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 1sq8 h LEU 13 CO -0.04 0.00 -0.13 0.61 -0.34 0.00 0.00 178.44 178.54 1sq8 n GLY 14 N 0.74 0.85 3.90 3.75 0.00 0.32 -5.04 105.19 109.71 1sq8 n GLY 14 Ca 0.03 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.60 3.20 0.43 0.99 1.43 -0.65 -4.96 118.68 117.53 1sq8 s LEU 15 Ca 0.00 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.03 1sq8 s LEU 15 Cb 0.00 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1sq8 s LEU 15 CO 0.00 -1.06 0.62 0.20 0.23 0.00 0.00 176.35 176.35 1sq8 s ASN 16 N -4.28 5.74 0.12 2.29 0.01 -1.26 -4.37 114.94 113.19 1sq8 s ASN 16 Ca 0.54 0.00 -0.27 0.00 -0.71 0.00 0.00 52.86 52.42 1sq8 s ASN 16 Cb -0.11 -1.20 -0.06 0.00 0.41 0.00 0.00 41.25 40.29 1sq8 s ASN 16 CO 0.47 -0.72 1.62 1.56 -1.51 0.00 0.00 177.10 178.52 1sq8 h GLN 17 N 0.50 -0.45 0.00 -0.60 4.20 -1.98 -1.30 115.11 115.47 1sq8 h GLN 17 Ca -0.44 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.25 1sq8 h GLN 17 Cb 1.27 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 1sq8 h GLN 17 CO 0.53 -0.30 -0.24 0.00 -0.67 0.00 0.00 178.83 178.15 1sq8 h ALA 18 N 0.26 1.55 -0.00 3.87 0.00 -1.92 0.40 119.26 123.42 1sq8 h ALA 18 Ca 0.05 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1sq8 h ALA 18 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sq8 h ALA 18 CO -0.23 0.30 -0.01 0.93 0.00 0.00 0.00 179.25 180.24 1sq8 h GLU 19 N 0.00 0.01 -0.85 0.00 4.39 -1.90 0.15 114.58 116.38 1sq8 h GLU 19 Ca -0.00 -0.01 0.13 0.00 0.34 0.00 0.00 59.36 59.82 1sq8 h GLU 19 Cb 0.44 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.03 1sq8 h GLU 19 CO 0.03 0.66 0.55 1.25 -1.16 0.00 0.00 179.01 180.34 1sq8 h LEU 20 N -0.63 0.63 0.67 1.33 5.85 -0.89 -2.39 115.31 119.89 1sq8 h LEU 20 Ca -0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1sq8 h LEU 20 Cb 0.66 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1sq8 h LEU 20 CO 0.00 0.34 -0.32 0.00 -0.34 0.00 0.00 178.44 178.12 1sq8 h ALA 21 N 1.60 -0.91 -0.23 1.25 0.00 -0.78 -3.22 119.26 116.97 1sq8 h ALA 21 Ca 0.42 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1sq8 h ALA 21 Cb 0.64 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1sq8 h ALA 21 CO -0.18 -0.88 0.03 0.37 0.00 0.00 0.00 179.25 178.59 1sq8 h GLN 22 N -1.16 0.11 0.00 0.00 5.75 -0.19 0.43 115.11 120.06 1sq8 h GLN 22 Ca -0.09 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 1sq8 h GLN 22 Cb 0.72 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.25 1sq8 h GLN 22 CO 0.15 0.08 0.00 1.57 -2.65 0.00 0.00 178.83 177.98 1sq8 h LYS 23 N 0.12 0.00 0.04 1.69 -0.00 -1.66 -1.88 116.57 114.88 1sq8 h LYS 23 Ca 0.11 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.52 1sq8 h LYS 23 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.32 1sq8 h LYS 23 CO -0.15 0.00 -1.15 0.28 -0.00 0.00 0.00 179.45 178.43 1sq8 h VAL 24 N 0.00 1.56 0.00 0.07 2.07 -1.27 -3.48 116.25 115.20 1sq8 h VAL 24 Ca 0.00 -3.25 0.00 0.00 0.82 0.00 0.00 66.70 64.27 1sq8 h VAL 24 Cb 0.74 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1sq8 h VAL 24 CO 0.00 0.91 0.00 0.61 0.02 0.00 0.00 177.57 179.11 1sq8 n GLY 25 N 1.43 1.06 3.91 2.17 0.00 -0.07 -4.90 105.19 108.78 1sq8 n GLY 25 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.94 2.40 0.47 1.61 -7.23 -0.06 -4.93 120.40 110.71 1sq8 s VAL 26 Ca 0.00 -1.30 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 1sq8 s VAL 26 Cb 0.00 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.17 1sq8 s VAL 26 CO 0.00 0.00 0.87 1.51 -0.31 0.00 0.00 175.10 177.17 1sq8 s ASP 27 N -4.25 6.54 0.22 4.85 -4.77 -1.26 -3.68 116.67 114.31 1sq8 s ASP 27 Ca 0.48 1.32 -0.08 0.00 -3.30 0.00 0.00 52.55 50.96 1sq8 s ASP 27 Cb -0.04 -2.40 0.33 0.00 -1.09 0.00 0.00 42.92 39.72 1sq8 s ASP 27 CO 0.28 -0.51 1.72 -0.61 0.70 0.00 0.00 175.17 176.75 1sq8 h GLN 28 N 0.99 0.32 -0.83 2.11 4.15 -1.85 -0.76 115.11 119.23 1sq8 h GLN 28 Ca -0.47 -0.02 0.16 0.00 0.77 0.00 0.00 58.65 59.09 1sq8 h GLN 28 Cb 1.19 -0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.70 1sq8 h GLN 28 CO 0.63 0.21 0.39 0.37 -1.93 0.00 0.00 178.83 178.50 1sq8 h GLN 29 N 0.33 0.50 -0.94 1.69 4.15 -1.94 -0.32 115.11 118.59 1sq8 h GLN 29 Ca 0.34 -0.03 0.16 0.00 0.77 0.00 0.00 58.65 59.89 1sq8 h GLN 29 Cb 0.49 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.98 1sq8 h GLN 29 CO -0.38 0.33 0.60 0.00 -1.93 0.00 0.00 178.83 177.45 1sq8 h ALA 30 N 1.59 1.80 -0.02 3.38 0.00 -1.51 0.33 119.26 124.83 1sq8 h ALA 30 Ca 0.47 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 55.15 1sq8 h ALA 30 Cb 0.74 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1sq8 h ALA 30 CO -0.41 -0.08 -1.02 0.82 0.00 0.00 0.00 179.25 178.56 1sq8 h ILE 31 N 0.72 1.28 -0.05 0.00 1.08 -1.10 -2.82 117.51 116.61 1sq8 h ILE 31 Ca 0.49 -2.22 -0.21 0.00 -0.39 0.00 0.00 64.86 62.53 1sq8 h ILE 31 Cb 0.79 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1sq8 h ILE 31 CO -0.25 0.69 -0.84 -0.08 -0.69 0.00 0.00 178.15 176.98 1sq8 h GLU 32 N 0.41 0.47 -0.40 2.37 4.81 -0.52 -0.24 114.58 121.48 1sq8 h GLU 32 Ca -0.12 -0.44 -0.10 0.00 -0.13 0.00 0.00 59.36 58.57 1sq8 h GLU 32 Cb 1.67 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.14 1sq8 h GLU 32 CO 0.20 1.08 -0.15 -0.56 -0.73 0.00 0.00 179.01 178.86 1sq8 h GLN 33 N 0.30 0.74 -0.72 1.92 3.07 -0.50 -2.39 115.11 117.53 1sq8 h GLN 33 Ca -0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 58.65 58.36 1sq8 h GLN 33 Cb 1.45 -0.06 -0.03 0.00 0.08 0.00 0.00 27.48 28.93 1sq8 h GLN 33 CO 0.15 0.85 0.21 -0.07 0.09 0.00 0.00 178.83 180.06 1sq8 h LEU 34 N 0.66 1.06 -0.55 0.06 3.38 -1.20 0.22 115.31 118.94 1sq8 h LEU 34 Ca 0.11 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.96 1sq8 h LEU 34 Cb 0.62 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1sq8 h LEU 34 CO 0.04 0.99 0.14 -0.33 0.09 0.00 0.00 178.44 179.37 1sq8 h GLU 35 N 1.07 0.28 -0.05 1.13 5.08 -0.73 -0.96 114.58 120.40 1sq8 h GLU 35 Ca 0.23 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1sq8 h GLU 35 Cb 0.32 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1sq8 h GLU 35 CO -0.01 0.18 0.00 0.27 -1.00 0.00 0.00 179.01 178.46 1sq8 n ASN 36 N -5.08 0.55 0.00 1.42 0.23 -0.88 -4.04 115.26 107.47 1sq8 n ASN 36 Ca 0.07 -1.49 0.00 0.00 -0.53 0.00 0.00 54.58 52.63 1sq8 n ASN 36 Cb 0.27 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 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 0.91 0.47 0.07 4.83 0.00 -0.37 -4.95 105.19 106.15 1sq8 n GLY 37 Ca 0.15 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.71 1sq8 n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sq8 n LYS 38 N -2.94 0.13 -4.30 1.61 4.76 0.67 -4.71 118.16 113.37 1sq8 n LYS 38 Ca 0.00 0.27 -0.20 0.00 -2.87 0.00 0.00 58.31 55.51 1sq8 n LYS 38 Cb 0.00 -1.71 -0.11 0.00 -1.84 0.00 0.00 35.03 31.37 1sq8 n LYS 38 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1sq8 s ALA 39 N -3.14 1.82 0.00 7.82 0.00 -1.26 -4.94 121.76 122.07 1sq8 s ALA 39 Ca 0.08 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1sq8 s ALA 39 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1sq8 s ALA 39 CO 0.43 0.17 0.00 1.17 0.00 0.00 0.00 175.76 177.52 1sq8 n LYS 40 N 0.30 0.00 -3.63 0.00 0.00 -1.26 -4.84 118.16 108.73 1sq8 n LYS 40 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 58.31 57.79 1sq8 n LYS 40 Cb 0.57 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.52 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 -0.78 2.60 0.87 1.64 3.52 -1.26 -5.05 118.95 120.49 1sq8 s ARG 41 Ca 0.00 -2.21 -0.13 0.00 -0.13 0.00 0.00 55.73 53.26 1sq8 s ARG 41 Cb 0.00 -3.86 0.12 0.00 -1.56 0.00 0.00 34.95 29.65 1sq8 s ARG 41 CO 0.00 -1.18 1.20 -1.25 -0.81 0.00 0.00 175.30 173.26 1sq8 s PRO 42 N 0.53 1.45 0.28 5.12 0.04 -1.26 -4.98 135.00 136.17 1sq8 s PRO 42 Ca 0.13 0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.17 1sq8 s PRO 42 Cb -0.21 -1.90 0.38 0.00 0.04 0.00 0.00 34.50 32.82 1sq8 s PRO 42 CO -0.04 -1.94 1.93 0.07 0.04 0.00 0.00 177.00 177.07 1sq8 h ARG 43 N -1.30 1.17 -0.01 4.56 0.11 -2.06 -3.20 114.38 113.65 1sq8 h ARG 43 Ca -0.46 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 59.54 1sq8 h ARG 43 Cb 1.31 -0.26 0.00 0.00 1.11 0.00 0.00 29.97 32.12 1sq8 h ARG 43 CO 0.59 0.78 0.00 1.97 0.10 0.00 0.00 179.97 183.40 1sq8 n PHE 44 N -4.42 0.01 0.08 4.08 1.16 -1.26 -4.58 117.46 112.52 1sq8 n PHE 44 Ca 0.12 -0.01 -0.15 0.00 -1.87 0.00 0.00 57.45 55.55 1sq8 n PHE 44 Cb 0.07 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.86 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 0.28 -1.41 -1.34 5.98 5.85 -1.96 0.16 115.31 122.87 1sq8 h LEU 45 Ca 0.00 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 1sq8 h LEU 45 Cb 0.06 0.54 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1sq8 h LEU 45 CO 0.00 -0.50 -0.07 1.55 -0.34 0.00 0.00 178.44 179.08 1sq8 h PRO 46 N -0.64 0.00 -0.09 5.25 0.13 -1.90 -0.61 132.00 134.14 1sq8 h PRO 46 Ca 0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 1sq8 h PRO 46 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1sq8 h PRO 46 CO -0.31 0.07 -0.31 0.93 -0.23 0.00 0.00 178.00 178.15 1sq8 h GLU 47 N 0.00 0.37 -0.22 0.86 3.07 -1.66 -1.61 114.58 115.39 1sq8 h GLU 47 Ca -0.00 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1sq8 h GLU 47 Cb 0.59 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 1sq8 h GLU 47 CO 0.01 0.90 0.13 1.25 -1.40 0.00 0.00 179.01 179.91 1sq8 h LEU 48 N -0.10 0.23 -0.06 1.33 6.46 -0.48 0.80 115.31 123.49 1sq8 h LEU 48 Ca -0.01 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1sq8 h LEU 48 Cb 0.94 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 1sq8 h LEU 48 CO 0.07 0.17 0.03 0.00 -0.62 0.00 0.00 178.44 178.08 1sq8 h ALA 49 N 1.09 0.07 0.03 1.25 0.00 -1.16 0.19 119.26 120.72 1sq8 h ALA 49 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1sq8 h ALA 49 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1sq8 h ALA 49 CO -0.03 -0.44 -0.10 -0.09 0.00 0.00 0.00 179.25 178.59 1sq8 h ARG 50 N 0.06 -0.18 0.00 0.00 2.43 -1.04 0.12 114.38 115.78 1sq8 h ARG 50 Ca 0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1sq8 h ARG 50 Cb 0.00 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1sq8 h ARG 50 CO -0.02 -0.12 0.00 0.00 -1.51 0.00 0.00 179.97 178.32 1sq8 h ALA 51 N 0.76 1.00 0.00 2.80 0.00 -0.71 -1.78 119.26 121.33 1sq8 h ALA 51 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1sq8 h ALA 51 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1sq8 h ALA 51 CO -0.08 0.00 -0.65 1.25 0.00 0.00 0.00 179.25 179.77 1sq8 h LEU 52 N 0.00 0.00 0.00 0.00 5.85 -0.19 -3.49 115.31 117.49 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 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1sq8 h LEU 52 CO 0.00 0.38 0.00 0.61 -0.34 0.00 0.00 178.44 179.09 1sq8 n GLY 53 N 1.23 1.45 3.28 3.75 0.00 0.31 -5.03 105.19 110.19 1sq8 n GLY 53 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 0.56 0.64 1.61 -7.23 -0.48 -5.02 120.40 108.48 1sq8 s VAL 54 Ca 0.00 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 1sq8 s VAL 54 Cb 0.00 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.50 1sq8 s VAL 54 CO 0.00 -0.19 1.04 0.00 -0.31 0.00 0.00 175.10 175.64 1sq8 s ALA 55 N -3.75 3.01 0.32 1.32 0.00 -1.26 -3.82 121.76 117.58 1sq8 s ALA 55 Ca 0.32 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1sq8 s ALA 55 Cb 0.07 -3.09 0.55 0.00 0.00 0.00 0.00 23.12 20.65 1sq8 s ALA 55 CO 0.10 -0.83 1.90 0.28 0.00 0.00 0.00 175.76 177.21 1sq8 h VAL 56 N -0.42 1.19 -0.90 0.00 2.07 -1.93 -0.63 116.25 115.63 1sq8 h VAL 56 Ca -0.44 -0.64 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1sq8 h VAL 56 Cb 1.20 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1sq8 h VAL 56 CO 0.61 0.25 0.59 -0.78 0.02 0.00 0.00 177.57 178.26 1sq8 h ASP 57 N 0.70 1.02 -0.32 0.57 3.58 -1.98 0.21 116.42 120.20 1sq8 h ASP 57 Ca 0.17 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.46 1sq8 h ASP 57 Cb 0.19 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1sq8 h ASP 57 CO -0.01 0.74 -0.31 -0.25 -2.88 0.00 0.00 179.24 176.52 1sq8 h TRP 58 N 1.21 0.93 0.11 0.28 7.01 -1.83 0.17 115.95 123.82 1sq8 h TRP 58 Ca 0.33 -0.28 0.01 0.00 2.11 0.00 0.00 58.89 61.06 1sq8 h TRP 58 Cb -0.12 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.72 1sq8 h TRP 58 CO -0.00 1.05 -0.15 -0.07 -2.79 0.00 0.00 178.44 176.48 1sq8 h LEU 59 N 0.54 -0.41 0.19 0.65 3.38 -0.54 -0.13 115.31 118.99 1sq8 h LEU 59 Ca 0.05 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1sq8 h LEU 59 Cb 0.89 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1sq8 h LEU 59 CO 0.08 -0.22 -0.09 -0.07 0.09 0.00 0.00 178.44 178.22 1sq8 h LEU 60 N -0.31 -0.22 0.00 1.67 3.38 -0.60 -3.40 115.31 115.84 1sq8 h LEU 60 Ca 0.02 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1sq8 h LEU 60 Cb 0.32 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1sq8 h LEU 60 CO -0.07 0.32 -1.70 0.59 0.09 0.00 0.00 178.44 177.67 1sq8 n ASN 61 N -4.94 0.84 0.00 -0.43 3.02 0.55 -5.00 115.26 109.30 1sq8 n ASN 61 Ca -0.06 -0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1sq8 n ASN 61 Cb 0.23 1.72 0.00 0.00 -0.61 0.00 0.00 39.78 41.12 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 1.46 0.77 2.59 7.41 0.00 -0.06 -4.97 105.19 112.39 1sq8 n GLY 62 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1sq8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32