#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 1.98 0.02 3.17 1.43 -1.26 -5.00 118.68 119.01 1sq8 s LEU 1 Ca 0.00 -1.73 -0.25 0.00 -1.03 0.00 0.00 54.13 51.12 1sq8 s LEU 1 Cb 0.00 -0.05 -0.17 0.00 0.03 0.00 0.00 46.19 46.00 1sq8 s LEU 1 CO 0.00 -0.98 1.31 0.24 0.23 0.00 0.00 176.35 177.14 1sq8 h MET 2 N 1.74 -0.37 -0.29 1.70 2.86 -1.85 0.18 114.93 118.90 1sq8 h MET 2 Ca -0.34 0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1sq8 h MET 2 Cb 1.28 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.99 1sq8 h MET 2 CO 0.54 -0.06 0.12 0.78 1.06 0.00 0.00 176.91 179.34 1sq8 h GLY 3 N -0.69 0.37 1.11 8.32 0.00 -1.81 -0.63 103.07 109.75 1sq8 h GLY 3 Ca -0.04 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.24 1sq8 h GLY 3 CO 0.06 0.05 0.53 0.83 0.00 0.00 0.00 176.54 178.01 1sq8 h GLU 4 N 0.26 0.97 0.06 4.80 5.08 -1.71 -0.72 114.58 123.32 1sq8 h GLU 4 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1sq8 h GLU 4 Cb 0.07 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.10 1sq8 h GLU 4 CO -0.11 0.64 -0.03 0.00 -1.00 0.00 0.00 179.01 178.51 1sq8 h ARG 5 N 1.00 -0.08 -0.10 2.33 3.08 0.18 0.13 114.38 120.91 1sq8 h ARG 5 Ca 0.31 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.38 1sq8 h ARG 5 Cb 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1sq8 h ARG 5 CO -0.09 0.01 0.04 0.82 -1.07 0.00 0.00 179.97 179.68 1sq8 h ILE 6 N -0.15 0.98 -0.32 2.04 2.04 -0.66 0.32 117.51 121.76 1sq8 h ILE 6 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1sq8 h ILE 6 Cb 0.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1sq8 h ILE 6 CO 0.01 0.02 0.21 -0.09 0.00 0.00 0.00 178.15 178.30 1sq8 h ARG 7 N 0.09 0.41 -0.34 2.37 1.12 -0.96 0.56 114.38 117.63 1sq8 h ARG 7 Ca 0.04 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.79 1sq8 h ARG 7 Cb 0.02 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1sq8 h ARG 7 CO -0.04 0.27 -0.18 0.00 -3.11 0.00 0.00 179.97 176.91 1sq8 h ALA 8 N 1.12 0.48 -0.37 2.80 0.00 -0.47 -1.10 119.26 121.72 1sq8 h ALA 8 Ca 0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1sq8 h ALA 8 Cb -0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1sq8 h ALA 8 CO -0.03 0.41 -0.24 -0.09 0.00 0.00 0.00 179.25 179.30 1sq8 h ARG 9 N 0.50 0.75 -0.55 0.00 1.12 -0.85 0.52 114.38 115.87 1sq8 h ARG 9 Ca 0.07 -0.31 0.07 0.00 -1.11 0.00 0.00 59.98 58.70 1sq8 h ARG 9 Cb 0.72 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.60 1sq8 h ARG 9 CO 0.05 0.92 0.23 -0.09 -3.11 0.00 0.00 179.97 177.98 1sq8 h ARG 10 N 0.65 0.43 -0.29 0.20 2.43 -0.41 0.30 114.38 117.70 1sq8 h ARG 10 Ca 0.09 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1sq8 h ARG 10 Cb 0.75 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1sq8 h ARG 10 CO 0.06 0.28 -0.28 0.82 -1.51 0.00 0.00 179.97 179.34 1sq8 h ILE 11 N 0.44 1.28 -0.68 1.20 1.08 -0.84 0.16 117.51 120.14 1sq8 h ILE 11 Ca 0.26 -1.37 0.06 0.00 -0.39 0.00 0.00 64.86 63.42 1sq8 h ILE 11 Cb 0.25 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.32 1sq8 h ILE 11 CO -0.23 0.44 0.45 -0.61 -0.69 0.00 0.00 178.15 177.51 1sq8 h GLN 12 N 0.50 0.70 -0.01 2.37 4.15 -0.27 -0.51 115.11 122.04 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 0.75 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.28 1sq8 h GLN 12 CO 0.06 0.46 -0.17 -0.11 -1.93 0.00 0.00 178.83 177.15 1sq8 n LEU 13 N -4.47 0.91 -0.84 -2.39 7.94 0.04 -4.97 117.00 113.22 1sq8 n LEU 13 Ca 0.10 -0.21 -0.11 0.00 -1.11 0.00 0.00 56.01 54.67 1sq8 n LEU 13 Cb 0.21 -0.12 -0.05 0.00 0.53 0.00 0.00 43.42 44.00 1sq8 n LEU 13 CO 0.34 0.17 -0.10 0.61 -1.11 0.00 0.00 177.39 177.29 1sq8 n GLY 14 N 1.29 1.16 3.70 -3.96 0.00 0.49 -4.99 105.19 102.89 1sq8 n GLY 14 Ca 0.14 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.48 3.25 0.61 0.99 2.34 -0.99 -4.98 118.68 117.42 1sq8 s LEU 15 Ca 0.00 -0.73 -0.08 0.00 0.06 0.00 0.00 54.13 53.39 1sq8 s LEU 15 Cb 0.00 -1.73 0.00 0.00 -0.56 0.00 0.00 46.19 43.90 1sq8 s LEU 15 CO 0.00 -0.19 0.95 0.20 -1.06 0.00 0.00 176.35 176.25 1sq8 s ASN 16 N -3.78 5.69 0.23 1.48 0.01 -1.26 -4.62 114.94 112.69 1sq8 s ASN 16 Ca 0.35 0.92 -0.07 0.00 -0.71 0.00 0.00 52.86 53.35 1sq8 s ASN 16 Cb -0.04 -1.90 0.26 0.00 0.41 0.00 0.00 41.25 39.98 1sq8 s ASN 16 CO 0.22 -1.07 1.88 1.56 -1.51 0.00 0.00 177.10 178.18 1sq8 h GLN 17 N -0.28 1.06 -0.21 -0.60 4.20 -1.98 -0.13 115.11 117.17 1sq8 h GLN 17 Ca -0.45 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.20 1sq8 h GLN 17 Cb 1.24 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1sq8 h GLN 17 CO 0.62 0.70 0.14 0.00 -0.67 0.00 0.00 178.83 179.61 1sq8 h ALA 18 N 1.36 0.27 -0.14 3.87 0.00 -1.93 -0.50 119.26 122.18 1sq8 h ALA 18 Ca 0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1sq8 h ALA 18 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sq8 h ALA 18 CO -0.12 -0.26 -0.23 0.93 0.00 0.00 0.00 179.25 179.57 1sq8 h GLU 19 N 0.28 0.41 -0.25 0.00 5.08 -1.80 0.85 114.58 119.14 1sq8 h GLU 19 Ca 0.08 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1sq8 h GLU 19 Cb -0.03 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 1sq8 h GLU 19 CO -0.02 0.84 -0.10 1.25 -1.00 0.00 0.00 179.01 179.98 1sq8 h LEU 20 N 0.01 -0.33 -0.22 1.33 5.85 -1.06 -1.50 115.31 119.39 1sq8 h LEU 20 Ca 0.01 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1sq8 h LEU 20 Cb 0.80 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 1sq8 h LEU 20 CO 0.05 -0.13 -0.14 0.00 -0.34 0.00 0.00 178.44 177.89 1sq8 h ALA 21 N 1.18 0.03 -0.23 1.25 0.00 -0.87 -1.12 119.26 119.50 1sq8 h ALA 21 Ca 0.13 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1sq8 h ALA 21 Cb 0.25 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1sq8 h ALA 21 CO -0.29 -0.56 -0.09 0.37 0.00 0.00 0.00 179.25 178.69 1sq8 h GLN 22 N -0.12 -0.05 -0.25 0.00 5.75 -0.30 0.20 115.11 120.33 1sq8 h GLN 22 Ca 0.12 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.43 1sq8 h GLN 22 Cb 0.31 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1sq8 h GLN 22 CO -0.30 -0.03 -0.62 1.57 -2.65 0.00 0.00 178.83 176.80 1sq8 h LYS 23 N -0.05 0.86 0.00 1.69 2.10 -1.05 -2.58 116.57 117.54 1sq8 h LYS 23 Ca 0.12 -0.59 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1sq8 h LYS 23 Cb 0.23 0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1sq8 h LYS 23 CO -0.26 1.22 0.00 0.28 -2.00 0.00 0.00 179.45 178.69 1sq8 h VAL 24 N 0.64 0.00 -0.97 0.07 2.07 -0.95 -3.47 116.25 113.63 1sq8 h VAL 24 Ca -0.01 -0.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.79 1sq8 h VAL 24 Cb 1.24 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1sq8 h VAL 24 CO 0.14 0.00 -0.12 0.61 0.02 0.00 0.00 177.57 178.21 1sq8 n GLY 25 N 0.32 0.30 3.93 2.17 0.00 0.59 -4.88 105.19 107.61 1sq8 n GLY 25 Ca 0.01 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.43 2.02 0.50 1.61 -7.23 -0.59 -5.03 120.40 109.26 1sq8 s VAL 26 Ca 0.03 -1.32 -0.17 0.00 -1.81 0.00 0.00 61.98 58.71 1sq8 s VAL 26 Cb -0.01 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.50 1sq8 s VAL 26 CO 0.04 0.00 0.97 1.51 -0.31 0.00 0.00 175.10 177.31 1sq8 s ASP 27 N -4.35 6.66 0.22 4.85 -4.77 -1.26 -4.14 116.67 113.87 1sq8 s ASP 27 Ca 0.45 1.57 -0.09 0.00 -3.30 0.00 0.00 52.55 51.18 1sq8 s ASP 27 Cb -0.03 -2.51 0.32 0.00 -1.09 0.00 0.00 42.92 39.61 1sq8 s ASP 27 CO 0.27 -0.55 1.72 -0.61 0.70 0.00 0.00 175.17 176.70 1sq8 h GLN 28 N 1.04 0.32 -0.78 2.11 4.15 -1.87 -0.60 115.11 119.48 1sq8 h GLN 28 Ca -0.47 -0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.05 1sq8 h GLN 28 Cb 1.18 -0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.72 1sq8 h GLN 28 CO 0.61 0.21 0.38 0.37 -1.93 0.00 0.00 178.83 178.47 1sq8 h GLN 29 N 0.33 0.56 -0.98 1.69 4.15 -1.93 -1.27 115.11 117.66 1sq8 h GLN 29 Ca 0.33 -0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.83 1sq8 h GLN 29 Cb 0.48 -0.13 -0.08 0.00 0.21 0.00 0.00 27.48 27.96 1sq8 h GLN 29 CO -0.38 0.37 0.61 0.00 -1.93 0.00 0.00 178.83 177.51 1sq8 h ALA 30 N 1.51 1.45 -0.15 3.38 0.00 -1.48 0.15 119.26 124.12 1sq8 h ALA 30 Ca 0.41 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 1sq8 h ALA 30 Cb 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sq8 h ALA 30 CO -0.33 0.23 -0.09 0.82 0.00 0.00 0.00 179.25 179.88 1sq8 h ILE 31 N 0.99 1.33 -0.53 0.00 1.08 -1.16 -2.34 117.51 116.88 1sq8 h ILE 31 Ca 0.48 -1.17 0.01 0.00 -0.39 0.00 0.00 64.86 63.78 1sq8 h ILE 31 Cb 0.44 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.95 1sq8 h ILE 31 CO -0.25 0.34 0.35 -0.08 -0.69 0.00 0.00 178.15 177.82 1sq8 h GLU 32 N -0.03 0.69 -0.36 2.37 4.57 -0.38 0.53 114.58 121.97 1sq8 h GLU 32 Ca 0.03 -0.04 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1sq8 h GLU 32 Cb 0.58 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1sq8 h GLU 32 CO 0.03 0.46 -0.17 -0.56 -1.18 0.00 0.00 179.01 177.58 1sq8 h GLN 33 N 0.71 0.67 -0.35 1.92 3.07 -0.82 -1.83 115.11 118.49 1sq8 h GLN 33 Ca 0.20 -0.24 -0.10 0.00 0.09 0.00 0.00 58.65 58.60 1sq8 h GLN 33 Cb -0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.42 1sq8 h GLN 33 CO -0.05 0.81 -0.16 -0.07 0.09 0.00 0.00 178.83 179.46 1sq8 h LEU 34 N 0.60 0.74 -1.66 0.06 3.38 -0.69 0.32 115.31 118.05 1sq8 h LEU 34 Ca 0.10 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 1sq8 h LEU 34 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1sq8 h LEU 34 CO 0.04 0.98 -0.19 -0.33 0.09 0.00 0.00 178.44 179.03 1sq8 h GLU 35 N 0.50 0.00 0.00 1.13 5.08 -0.89 0.05 114.58 120.45 1sq8 h GLU 35 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1sq8 h GLU 35 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1sq8 h GLU 35 CO 0.05 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.33 1sq8 n ASN 36 N -3.77 0.63 0.00 1.42 3.02 -0.69 -4.11 115.26 111.76 1sq8 n ASN 36 Ca -0.02 0.62 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 1sq8 n ASN 36 Cb 0.29 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.40 0.41 0.18 7.41 0.00 0.00 -4.95 105.19 108.65 1sq8 n GLY 37 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.86 0.52 -6.20 1.61 1.57 -0.57 -3.38 116.57 110.99 1sq8 h LYS 38 Ca 0.00 -0.47 -0.56 0.00 -1.87 0.00 0.00 60.65 57.75 1sq8 h LYS 38 Cb 0.21 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1sq8 h LYS 38 CO 0.00 1.10 0.01 0.00 -0.57 0.00 0.00 179.45 179.99 1sq8 s ALA 39 N -3.53 3.51 0.00 3.86 0.00 -1.13 -4.97 121.76 119.50 1sq8 s ALA 39 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.97 1sq8 s ALA 39 Cb 0.09 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1sq8 s ALA 39 CO 0.87 0.26 0.12 1.17 0.00 0.00 0.00 175.76 178.18 1sq8 n LYS 40 N 2.24 0.00 -4.18 0.00 0.00 -1.26 -4.73 118.16 110.22 1sq8 n LYS 40 Ca -0.08 0.18 -0.34 0.00 0.00 0.00 0.00 58.31 58.08 1sq8 n LYS 40 Cb 0.51 -0.77 -0.15 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 -0.61 3.16 0.65 1.64 3.00 -1.26 -5.01 118.95 120.51 1sq8 s ARG 41 Ca 0.00 -0.75 -0.13 0.00 -1.00 0.00 0.00 55.73 53.85 1sq8 s ARG 41 Cb 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 34.95 32.23 1sq8 s ARG 41 CO 0.00 -0.14 1.06 -1.25 0.00 0.00 0.00 175.30 174.97 1sq8 s PRO 42 N 1.21 3.10 0.17 5.12 0.04 -1.26 -4.96 135.00 138.42 1sq8 s PRO 42 Ca 0.02 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 61.97 1sq8 s PRO 42 Cb -0.14 -2.01 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1sq8 s PRO 42 CO -0.07 -0.97 1.66 0.07 0.04 0.00 0.00 177.00 177.73 1sq8 h ARG 43 N -0.17 -0.03 -0.69 4.56 0.11 -2.04 -3.08 114.38 113.04 1sq8 h ARG 43 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1sq8 h ARG 43 Cb 1.21 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 1sq8 h ARG 43 CO 0.57 -0.02 0.00 1.97 0.10 0.00 0.00 179.97 182.59 1sq8 n PHE 44 N -5.33 0.00 -0.28 4.08 1.16 -1.26 -4.56 117.46 111.26 1sq8 n PHE 44 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.65 1sq8 n PHE 44 Cb 0.24 -0.07 0.14 0.00 -1.61 0.00 0.00 39.48 38.18 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 0.02 -0.62 -1.07 5.98 5.85 -1.94 0.10 115.31 123.64 1sq8 h LEU 45 Ca 0.00 0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.88 1sq8 h LEU 45 Cb 0.34 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1sq8 h LEU 45 CO 0.00 -0.25 -0.35 1.55 -0.34 0.00 0.00 178.44 179.04 1sq8 h PRO 46 N 0.03 0.00 -0.09 5.25 0.13 -1.91 -0.30 132.00 135.11 1sq8 h PRO 46 Ca 0.42 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.48 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 -0.80 0.35 -0.22 0.93 -0.23 0.00 0.00 178.00 178.02 1sq8 h GLU 47 N 0.00 0.31 -0.05 0.86 5.08 -1.36 -1.84 114.58 117.59 1sq8 h GLU 47 Ca -0.00 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1sq8 h GLU 47 Cb 0.82 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1sq8 h GLU 47 CO 0.05 0.82 -0.04 1.25 -1.00 0.00 0.00 179.01 180.09 1sq8 h LEU 48 N -0.15 -0.13 -0.52 1.33 5.85 -0.80 -0.35 115.31 120.54 1sq8 h LEU 48 Ca -0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1sq8 h LEU 48 Cb 0.83 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1sq8 h LEU 48 CO 0.05 -0.06 0.32 0.00 -0.34 0.00 0.00 178.44 178.41 1sq8 h ALA 49 N 1.00 0.66 -0.25 1.25 0.00 -1.07 0.28 119.26 121.14 1sq8 h ALA 49 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sq8 h ALA 49 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1sq8 h ALA 49 CO -0.08 0.14 0.11 -0.09 0.00 0.00 0.00 179.25 179.33 1sq8 h ARG 50 N 0.70 0.36 -0.62 0.00 2.43 -1.16 0.14 114.38 116.22 1sq8 h ARG 50 Ca 0.19 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1sq8 h ARG 50 Cb -0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1sq8 h ARG 50 CO -0.04 0.39 0.37 0.00 -1.51 0.00 0.00 179.97 179.18 1sq8 h ALA 51 N 0.96 0.79 -0.44 2.80 0.00 -0.74 -2.63 119.26 120.00 1sq8 h ALA 51 Ca 0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1sq8 h ALA 51 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sq8 h ALA 51 CO -0.01 0.28 0.13 1.25 0.00 0.00 0.00 179.25 180.91 1sq8 h LEU 52 N 0.84 0.64 -0.68 0.00 5.85 -0.25 -3.48 115.31 118.23 1sq8 h LEU 52 Ca 0.22 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1sq8 h LEU 52 Cb -0.01 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1sq8 h LEU 52 CO -0.04 0.68 0.00 0.61 -0.34 0.00 0.00 178.44 179.35 1sq8 n GLY 53 N -0.66 0.60 3.39 3.75 0.00 0.39 -5.01 105.19 107.66 1sq8 n GLY 53 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.79 0.00 0.58 1.61 -7.23 -0.68 -5.04 120.40 107.85 1sq8 s VAL 54 Ca 0.00 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 1sq8 s VAL 54 Cb 0.00 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 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 -3.52 3.21 0.29 1.32 0.00 -1.26 -4.12 121.76 117.69 1sq8 s ALA 55 Ca 0.34 -0.41 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1sq8 s ALA 55 Cb 0.02 -2.80 0.45 0.00 0.00 0.00 0.00 23.12 20.78 1sq8 s ALA 55 CO 0.19 -0.68 1.93 0.28 0.00 0.00 0.00 175.76 177.48 1sq8 h VAL 56 N -0.16 1.15 -0.40 0.00 2.07 -1.92 -0.52 116.25 116.47 1sq8 h VAL 56 Ca -0.45 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 1sq8 h VAL 56 Cb 1.22 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1sq8 h VAL 56 CO 0.62 0.21 -0.12 -0.78 0.02 0.00 0.00 177.57 177.51 1sq8 h ASP 57 N 1.13 0.72 -0.27 0.57 1.82 -1.98 0.60 116.42 118.99 1sq8 h ASP 57 Ca 0.36 -0.21 -0.03 0.00 -0.39 0.00 0.00 57.03 56.75 1sq8 h ASP 57 Cb 0.02 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 1sq8 h ASP 57 CO -0.11 0.86 0.05 -0.25 -1.61 0.00 0.00 179.24 178.18 1sq8 h TRP 58 N 0.66 0.48 -0.19 0.28 7.01 -1.84 0.14 115.95 122.49 1sq8 h TRP 58 Ca 0.11 -0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.09 1sq8 h TRP 58 Cb 0.59 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.47 1sq8 h TRP 58 CO 0.03 0.55 -0.06 -0.07 -2.79 0.00 0.00 178.44 176.10 1sq8 h LEU 59 N 0.27 -0.22 0.61 0.65 3.38 -0.56 0.23 115.31 119.66 1sq8 h LEU 59 Ca 0.08 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1sq8 h LEU 59 Cb 0.33 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.22 1sq8 h LEU 59 CO 0.00 -0.08 -0.29 -0.07 0.09 0.00 0.00 178.44 178.09 1sq8 h LEU 60 N -0.03 -0.69 0.00 1.67 3.38 -0.81 -3.41 115.31 115.41 1sq8 h LEU 60 Ca 0.10 -0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1sq8 h LEU 60 Cb 0.17 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1sq8 h LEU 60 CO -0.21 -0.32 -1.97 0.59 0.09 0.00 0.00 178.44 176.62 1sq8 n ASN 61 N -5.34 1.29 -1.87 -0.43 3.02 0.48 -4.74 115.26 107.68 1sq8 n ASN 61 Ca -0.11 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.41 1sq8 n ASN 61 Cb 0.34 1.06 0.01 0.00 -0.61 0.00 0.00 39.78 40.59 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 1.97 0.48 2.34 7.41 0.00 0.79 -5.01 105.19 113.16 1sq8 n GLY 62 Ca -0.20 -0.10 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