#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v80 s GLN 2 N 0.00 0.31 0.67 2.12 -2.07 -1.26 -3.92 119.66 115.51 1v80 s GLN 2 Ca 0.00 -0.06 -0.02 0.00 -1.82 0.00 0.00 55.36 53.46 1v80 s GLN 2 Cb 0.00 -0.72 0.14 0.00 -1.09 0.00 0.00 33.01 31.34 1v80 s GLN 2 CO 0.00 -0.96 0.91 0.44 -1.32 0.00 0.00 175.29 174.36 1v80 n ILE 3 N 5.31 0.00 -4.32 3.63 -5.35 0.54 -1.99 119.36 117.18 1v80 n ILE 3 Ca -0.03 -1.32 -0.17 0.00 -0.27 0.00 0.00 62.75 60.96 1v80 n ILE 3 Cb 0.47 -1.02 -0.10 0.00 -1.74 0.00 0.00 39.64 37.25 1v80 n ILE 3 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1v80 s PHE 4 N -2.79 1.54 -0.01 4.28 0.08 -0.94 0.14 117.98 120.29 1v80 s PHE 4 Ca 0.59 -1.32 0.01 0.00 0.12 0.00 0.00 56.93 56.33 1v80 s PHE 4 Cb -0.03 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.58 1v80 s PHE 4 CO 0.39 -0.49 -0.03 0.08 -0.10 0.00 0.00 175.22 175.08 1v80 s VAL 5 N -3.71 0.25 -0.31 -0.44 1.01 0.10 0.19 120.40 117.50 1v80 s VAL 5 Ca 0.37 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 1v80 s VAL 5 Cb 0.06 -0.23 0.03 0.00 0.00 0.00 0.00 36.38 36.24 1v80 s VAL 5 CO 0.16 0.08 0.06 -0.54 0.00 0.00 0.00 175.10 174.86 1v80 s LYS 6 N 0.07 2.70 0.83 2.72 1.02 0.98 -1.83 119.74 126.24 1v80 s LYS 6 Ca -0.00 -1.11 -0.09 0.00 0.02 0.00 0.00 55.97 54.79 1v80 s LYS 6 Cb -0.03 -3.32 0.15 0.00 -0.52 0.00 0.00 37.83 34.10 1v80 s LYS 6 CO -0.00 -0.58 1.15 0.95 -0.92 0.00 0.00 175.35 175.95 1v80 s THR 7 N 1.38 2.09 0.37 2.17 -4.23 -1.02 0.18 115.64 116.59 1v80 s THR 7 Ca -0.01 -0.26 0.07 0.00 -1.18 0.00 0.00 61.69 60.30 1v80 s THR 7 Cb -0.19 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.11 1v80 s THR 7 CO 0.01 0.00 1.97 -0.07 -0.54 0.00 0.00 174.62 175.99 1v80 h LEU 8 N -1.06 0.62 0.00 4.79 -0.00 -1.91 0.37 115.31 118.11 1v80 h LEU 8 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.47 1v80 h LEU 8 Cb 1.26 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1v80 h LEU 8 CO 0.43 0.40 -0.03 1.07 -0.00 0.00 0.00 178.44 180.32 1v80 n THR 9 N -4.48 0.32 -0.00 0.22 5.66 -1.26 -4.89 114.28 109.84 1v80 n THR 9 Ca 0.10 -0.15 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 1v80 n THR 9 Cb 0.22 -0.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 1v80 n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1v80 n GLY 10 N 1.40 0.52 3.50 1.09 0.00 0.13 -5.01 105.19 106.81 1v80 n GLY 10 Ca 0.06 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.51 1v80 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v80 n LYS 11 N -2.00 0.06 -3.47 1.61 5.02 -1.26 -4.34 118.16 113.79 1v80 n LYS 11 Ca 0.00 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.89 1v80 n LYS 11 Cb 0.00 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.43 1v80 n LYS 11 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v80 s THR 12 N -0.07 5.25 -0.24 -0.18 2.01 -1.25 -2.43 115.64 118.73 1v80 s THR 12 Ca 0.88 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 62.35 1v80 s THR 12 Cb -1.22 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 67.41 1v80 s THR 12 CO 0.56 -0.22 0.01 -0.63 -0.69 0.00 0.00 174.62 173.65 1v80 s ILE 13 N 1.73 3.71 0.26 1.82 1.09 -0.76 -4.89 121.20 124.16 1v80 s ILE 13 Ca 0.06 -0.47 -0.29 0.00 -1.10 0.00 0.00 60.65 58.85 1v80 s ILE 13 Cb -0.18 -2.75 -0.09 0.00 -1.06 0.00 0.00 42.46 38.37 1v80 s ILE 13 CO 0.10 0.33 0.94 -0.89 -0.10 0.00 0.00 174.94 175.32 1v80 s THR 14 N 1.51 4.10 -0.02 2.92 2.01 -1.26 0.02 115.64 124.92 1v80 s THR 14 Ca 0.05 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.11 1v80 s THR 14 Cb -0.15 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.10 1v80 s THR 14 CO -0.00 0.43 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.53 1v80 s LEU 15 N -1.35 1.72 -0.94 4.42 2.01 0.38 -4.93 118.68 119.99 1v80 s LEU 15 Ca 0.43 -0.13 -0.02 0.00 0.01 0.00 0.00 54.13 54.42 1v80 s LEU 15 Cb -0.25 -0.42 0.27 0.00 0.01 0.00 0.00 46.19 45.80 1v80 s LEU 15 CO 0.30 0.03 1.07 -0.62 1.01 0.00 0.00 176.35 178.14 1v80 n GLU 16 N 3.39 3.38 -4.32 1.70 4.71 -1.26 0.20 120.64 128.44 1v80 n GLU 16 Ca -0.19 -4.55 -0.32 0.00 -0.01 0.00 0.00 57.16 52.10 1v80 n GLU 16 Cb 0.54 -2.43 -0.09 0.00 -1.01 0.00 0.00 31.44 28.45 1v80 n GLU 16 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 1v80 s VAL 17 N -2.10 3.86 0.63 2.62 -7.23 -1.25 -4.97 120.40 111.96 1v80 s VAL 17 Ca 0.32 -0.79 -0.12 0.00 -1.81 0.00 0.00 61.98 59.57 1v80 s VAL 17 Cb 0.01 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1v80 s VAL 17 CO -0.02 0.32 1.04 -1.83 -0.31 0.00 0.00 175.10 174.30 1v80 s GLU 18 N -1.69 3.40 0.00 4.82 -1.05 -1.26 -4.65 118.70 118.28 1v80 s GLU 18 Ca 0.20 0.89 0.22 0.00 -0.15 0.00 0.00 54.97 56.13 1v80 s GLU 18 Cb -0.11 -2.05 1.05 0.00 -0.44 0.00 0.00 34.13 32.57 1v80 s GLU 18 CO 0.11 -0.72 1.72 -0.35 0.95 0.00 0.00 175.26 176.97 1v80 n PRO 19 N -2.64 0.18 0.00 -4.83 -0.04 -1.26 -2.06 135.00 124.35 1v80 n PRO 19 Ca 0.07 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1v80 n PRO 19 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1v80 n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v80 n SER 20 N -1.38 1.58 -2.39 3.54 7.64 -1.26 -2.01 113.62 119.34 1v80 n SER 20 Ca 0.08 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1v80 n SER 20 Cb 0.21 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.11 1v80 n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1v80 n ASP 21 N -0.63 -0.54 -4.51 6.43 8.00 -0.88 -4.95 116.55 119.48 1v80 n ASP 21 Ca 0.07 -0.64 -0.24 0.00 0.71 0.00 0.00 54.79 54.69 1v80 n ASP 21 Cb 0.40 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.40 1v80 n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1v80 s THR 22 N -0.91 1.49 0.03 -3.53 2.01 -1.26 -3.93 115.64 109.54 1v80 s THR 22 Ca 0.00 -2.00 -0.24 0.00 0.31 0.00 0.00 61.69 59.76 1v80 s THR 22 Cb 0.00 -2.87 -0.17 0.00 0.01 0.00 0.00 72.50 69.47 1v80 s THR 22 CO 0.00 -0.00 1.47 0.40 -0.69 0.00 0.00 174.62 175.80 1v80 h ILE 23 N 1.99 1.23 -0.15 1.82 1.08 -1.73 -2.00 117.51 119.74 1v80 h ILE 23 Ca -0.42 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.40 1v80 h ILE 23 Cb 1.24 1.66 -0.01 0.00 -3.07 0.00 0.00 36.82 36.65 1v80 h ILE 23 CO 0.74 0.18 0.26 1.05 -0.69 0.00 0.00 178.15 179.69 1v80 h GLU 24 N -0.25 0.00 0.00 2.37 4.11 -1.85 0.81 114.58 119.77 1v80 h GLU 24 Ca 0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 1v80 h GLU 24 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1v80 h GLU 24 CO 0.00 0.00 -0.96 -0.91 0.07 0.00 0.00 179.01 177.21 1v80 h ASN 25 N 0.00 0.00 0.06 3.06 2.35 -1.81 -2.19 115.58 117.04 1v80 h ASN 25 Ca 0.07 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1v80 h ASN 25 Cb 0.59 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.98 1v80 h ASN 25 CO -0.00 0.82 -0.46 0.58 -1.65 0.00 0.00 177.43 176.72 1v80 h VAL 26 N 0.00 1.58 -0.32 2.81 2.07 0.12 -3.20 116.25 119.30 1v80 h VAL 26 Ca -0.05 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.17 1v80 h VAL 26 Cb 1.67 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 34.50 1v80 h VAL 26 CO 0.10 0.64 0.18 0.11 0.02 0.00 0.00 177.57 178.61 1v80 h LYS 27 N -0.52 0.44 -0.93 1.57 1.57 -0.75 -0.92 116.57 117.03 1v80 h LYS 27 Ca -0.07 -0.05 0.27 0.00 -1.87 0.00 0.00 60.65 58.93 1v80 h LYS 27 Cb 1.30 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 1v80 h LYS 27 CO 0.09 0.37 0.71 0.00 -0.57 0.00 0.00 179.45 180.05 1v80 h ALA 28 N 1.05 2.84 0.00 3.86 0.00 -1.49 1.82 119.26 127.34 1v80 h ALA 28 Ca 0.11 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1v80 h ALA 28 Cb 0.05 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1v80 h ALA 28 CO -0.02 -1.19 -0.85 0.87 0.00 0.00 0.00 179.25 178.06 1v80 h LYS 29 N 0.00 0.09 0.00 0.00 1.57 -1.17 -2.84 116.57 114.22 1v80 h LYS 29 Ca 0.44 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1v80 h LYS 29 Cb 1.86 0.03 0.00 0.00 0.08 0.00 0.00 32.23 34.20 1v80 h LYS 29 CO -0.00 0.88 0.00 0.82 -0.57 0.00 0.00 179.45 180.57 1v80 h ILE 30 N 0.05 0.00 0.19 1.86 1.08 0.31 -0.02 117.51 120.98 1v80 h ILE 30 Ca -0.02 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 1v80 h ILE 30 Cb 1.47 1.48 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1v80 h ILE 30 CO 0.12 0.00 -0.09 1.56 -0.69 0.00 0.00 178.15 179.05 1v80 h GLN 31 N 0.00 -0.24 -0.76 2.37 1.08 -0.96 -2.90 115.11 113.70 1v80 h GLN 31 Ca 0.00 0.02 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1v80 h GLN 31 Cb 0.56 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.01 1v80 h GLN 31 CO 0.00 -0.16 0.29 0.22 -0.95 0.00 0.00 178.83 178.23 1v80 h ASP 32 N -0.44 1.06 0.00 1.46 3.58 -1.60 1.65 116.42 122.13 1v80 h ASP 32 Ca -0.03 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1v80 h ASP 32 Cb 0.19 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1v80 h ASP 32 CO 0.04 0.95 0.00 0.29 -2.88 0.00 0.00 179.24 177.64 1v80 n LYS 33 N -4.30 0.00 -0.07 0.28 4.76 -0.02 -3.83 118.16 114.98 1v80 n LYS 33 Ca 0.06 0.87 -0.06 0.00 -2.87 0.00 0.00 58.31 56.31 1v80 n LYS 33 Cb 0.19 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 1v80 n LYS 33 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1v80 h GLU 34 N 0.00 0.00 0.00 1.97 4.39 -1.50 -3.50 114.58 115.94 1v80 h GLU 34 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1v80 h GLU 34 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1v80 h GLU 34 CO 0.00 0.25 0.00 0.41 -1.16 0.00 0.00 179.01 178.51 1v80 n GLY 35 N 1.65 0.84 3.13 -3.84 0.00 0.56 -5.07 105.19 102.46 1v80 n GLY 35 Ca -0.08 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1v80 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v80 s ILE 36 N 0.00 1.07 0.67 -0.61 1.01 -0.99 -5.01 121.20 117.33 1v80 s ILE 36 Ca 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1v80 s ILE 36 Cb 0.00 -0.97 -0.00 0.00 0.01 0.00 0.00 42.46 41.49 1v80 s ILE 36 CO 0.00 -0.01 1.06 -2.16 0.00 0.00 0.00 174.94 173.83 1v80 s PRO 37 N -1.13 3.05 0.00 2.79 0.04 -1.26 -4.25 135.00 134.23 1v80 s PRO 37 Ca 0.01 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.28 1v80 s PRO 37 Cb -0.08 -2.00 1.38 0.00 0.04 0.00 0.00 34.50 33.84 1v80 s PRO 37 CO 0.01 -1.01 1.76 -0.35 0.04 0.00 0.00 177.00 177.45 1v80 n PRO 38 N -2.86 0.75 0.23 0.56 -0.04 -1.26 -2.04 135.00 130.33 1v80 n PRO 38 Ca 0.08 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.66 1v80 n PRO 38 Cb 0.53 -1.48 0.41 0.00 -0.04 0.00 0.00 33.50 32.92 1v80 n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1v80 h ASP 39 N 0.00 0.00 0.00 3.54 3.32 -2.01 -3.31 116.42 117.96 1v80 h ASP 39 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1v80 h ASP 39 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v80 h ASP 39 CO 0.00 0.12 -1.03 0.00 -1.72 0.00 0.00 179.24 176.61 1v80 n GLN 40 N -3.20 3.53 -2.22 3.56 6.02 -1.07 -4.73 117.38 119.27 1v80 n GLN 40 Ca 0.01 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.63 1v80 n GLN 40 Cb 0.45 -1.01 -0.01 0.00 1.02 0.00 0.00 30.24 30.69 1v80 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1v80 s GLN 41 N -2.01 3.75 -0.29 -1.09 -0.21 -0.87 -3.17 119.66 115.76 1v80 s GLN 41 Ca -0.00 1.82 0.04 0.00 0.02 0.00 0.00 55.36 57.24 1v80 s GLN 41 Cb 0.00 -2.43 0.20 0.00 1.00 0.00 0.00 33.01 31.78 1v80 s GLN 41 CO 0.02 -0.57 0.61 0.50 -2.12 0.00 0.00 175.29 173.72 1v80 s ARG 42 N -2.66 0.55 0.09 2.91 6.06 -1.07 -4.81 118.95 120.03 1v80 s ARG 42 Ca 0.63 0.65 -0.30 0.00 -2.50 0.00 0.00 55.73 54.22 1v80 s ARG 42 Cb -0.30 0.32 -0.05 0.00 0.06 0.00 0.00 34.95 34.98 1v80 s ARG 42 CO 0.36 -0.92 0.98 -0.51 -2.50 0.00 0.00 175.30 172.71 1v80 s LEU 43 N 2.84 4.47 -0.01 -0.88 1.43 -1.26 -1.78 118.68 123.49 1v80 s LEU 43 Ca 0.13 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1v80 s LEU 43 Cb -0.11 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 1v80 s LEU 43 CO -0.25 -0.12 -0.06 -0.63 0.23 0.00 0.00 176.35 175.53 1v80 s ILE 44 N 0.20 0.48 -0.03 -0.59 1.01 0.23 -3.99 121.20 118.50 1v80 s ILE 44 Ca 0.48 -0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.93 1v80 s ILE 44 Cb -0.23 -0.40 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 1v80 s ILE 44 CO 0.30 0.14 -0.18 0.12 0.00 0.00 0.00 174.94 175.32 1v80 s PHE 45 N -0.12 1.68 -1.43 3.97 5.36 -1.03 0.19 117.98 126.61 1v80 s PHE 45 Ca 0.02 -0.42 -0.00 0.00 -0.96 0.00 0.00 56.93 55.57 1v80 s PHE 45 Cb -0.03 -1.11 0.00 0.00 -0.34 0.00 0.00 43.02 41.54 1v80 s PHE 45 CO -0.00 -0.11 0.35 0.00 -1.46 0.00 0.00 175.22 174.00 1v80 n ALA 46 N 2.94 -2.01 -4.33 11.12 0.00 -1.26 0.04 120.51 127.01 1v80 n ALA 46 Ca -0.17 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.62 1v80 n ALA 46 Cb 0.53 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 1v80 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v80 n GLY 47 N -2.08 -0.32 3.01 0.00 0.00 -1.26 -4.92 105.19 99.61 1v80 n GLY 47 Ca -0.31 0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 1v80 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v80 s LYS 48 N -7.10 0.59 0.32 1.61 2.20 0.11 -5.12 119.74 112.33 1v80 s LYS 48 Ca 0.50 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.49 1v80 s LYS 48 Cb -0.29 -0.55 -0.11 0.00 -1.51 0.00 0.00 37.83 35.38 1v80 s LYS 48 CO 0.98 0.15 1.44 -1.14 -0.36 0.00 0.00 175.35 176.42 1v80 s GLN 49 N -0.36 4.22 -0.10 4.03 2.00 -1.26 -2.47 119.66 125.72 1v80 s GLN 49 Ca 0.01 2.41 0.01 0.00 -2.00 0.00 0.00 55.36 55.79 1v80 s GLN 49 Cb -0.04 -3.04 -0.02 0.00 0.80 0.00 0.00 33.01 30.71 1v80 s GLN 49 CO -0.00 -0.43 -0.10 -0.51 -0.50 0.00 0.00 175.29 173.75 1v80 s LEU 50 N -1.29 2.93 0.33 3.68 1.02 -1.26 -4.90 118.68 119.20 1v80 s LEU 50 Ca 0.55 -0.18 0.09 0.00 0.02 0.00 0.00 54.13 54.62 1v80 s LEU 50 Cb -0.44 -1.65 -0.06 0.00 0.02 0.00 0.00 46.19 44.07 1v80 s LEU 50 CO 0.53 0.27 -0.03 -1.83 0.02 0.00 0.00 176.35 175.31 1v80 s GLU 51 N -0.24 2.01 0.00 1.70 -1.05 -1.26 -4.94 118.70 114.91 1v80 s GLU 51 Ca 0.02 -1.78 0.30 0.00 -0.15 0.00 0.00 54.97 53.37 1v80 s GLU 51 Cb -0.13 -1.88 1.59 0.00 -0.44 0.00 0.00 34.13 33.27 1v80 s GLU 51 CO 0.03 0.16 2.05 -0.40 0.95 0.00 0.00 175.26 178.05 1v80 n ASP 52 N -0.90 0.47 0.04 0.83 5.68 -1.26 -3.03 116.55 118.39 1v80 n ASP 52 Ca -0.04 -1.07 0.11 0.00 -0.50 0.00 0.00 54.79 53.29 1v80 n ASP 52 Cb 0.62 -0.02 -0.07 0.00 -1.14 0.00 0.00 41.12 40.52 1v80 n ASP 52 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1v80 n GLY 53 N 1.09 -1.23 0.35 6.12 0.00 -1.26 -4.74 105.19 105.52 1v80 n GLY 53 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 1v80 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v80 n ARG 54 N -2.37 0.52 -3.89 1.61 5.12 -1.17 -5.08 116.66 111.39 1v80 n ARG 54 Ca -0.01 -0.24 -0.09 0.00 -1.93 0.00 0.00 57.85 55.57 1v80 n ARG 54 Cb 0.54 -0.06 -0.07 0.00 -1.16 0.00 0.00 32.46 31.70 1v80 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1v80 s THR 55 N -0.12 0.10 0.06 0.55 -4.23 -1.26 -4.23 115.64 106.52 1v80 s THR 55 Ca 0.06 -1.24 -0.25 0.00 -1.18 0.00 0.00 61.69 59.07 1v80 s THR 55 Cb -0.00 -1.57 -0.17 0.00 1.34 0.00 0.00 72.50 72.10 1v80 s THR 55 CO 0.04 -0.46 1.61 -0.07 -0.54 0.00 0.00 174.62 175.20 1v80 h LEU 56 N 2.63 -0.17 -2.60 4.79 3.38 -1.72 0.83 115.31 122.45 1v80 h LEU 56 Ca -0.33 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1v80 h LEU 56 Cb 1.22 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1v80 h LEU 56 CO 0.52 -0.03 0.00 -1.28 0.09 0.00 0.00 178.44 177.74 1v80 h SER 57 N -0.30 0.00 0.69 -0.43 0.87 -1.58 0.48 113.55 113.28 1v80 h SER 57 Ca -0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.38 1v80 h SER 57 Cb 0.24 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1v80 h SER 57 CO 0.03 0.00 -1.42 0.47 -0.53 0.00 0.00 176.83 175.38 1v80 n ASP 58 N -3.06 0.83 -0.57 6.23 8.00 -0.56 -3.74 116.55 123.67 1v80 n ASP 58 Ca -0.02 0.36 0.13 0.00 0.71 0.00 0.00 54.79 55.97 1v80 n ASP 58 Cb 0.13 0.23 0.45 0.00 -0.02 0.00 0.00 41.12 41.90 1v80 n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1v80 n TYR 59 N -2.86 0.02 -0.98 1.24 4.01 0.28 -4.88 117.16 113.98 1v80 n TYR 59 Ca -0.10 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1v80 n TYR 59 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1v80 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1v80 n ASN 60 N 0.38 -1.22 -4.75 7.72 3.02 0.09 -4.98 115.26 115.52 1v80 n ASN 60 Ca 0.18 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.32 1v80 n ASN 60 Cb 0.40 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1v80 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1v80 s ILE 61 N -3.16 2.16 0.00 2.41 1.01 0.14 -4.96 121.20 118.81 1v80 s ILE 61 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1v80 s ILE 61 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1v80 s ILE 61 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 174.94 174.96 1v80 n GLN 62 N 2.02 1.90 -2.78 2.79 10.64 -1.26 -4.23 117.38 126.47 1v80 n GLN 62 Ca 0.07 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.84 1v80 n GLN 62 Cb 0.38 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.70 1v80 n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1v80 s LYS 63 N 0.88 4.82 0.00 2.61 -2.85 -1.26 -3.02 119.74 120.92 1v80 s LYS 63 Ca 0.00 1.45 0.00 0.00 -1.00 0.00 0.00 55.97 56.42 1v80 s LYS 63 Cb 0.00 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.49 1v80 s LYS 63 CO 0.00 0.51 0.00 0.39 0.10 0.00 0.00 175.35 176.35 1v80 n GLU 64 N 1.58 -0.21 -2.12 1.78 1.02 -0.84 -4.94 120.64 116.90 1v80 n GLU 64 Ca -0.02 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 1v80 n GLU 64 Cb 0.47 -3.25 -0.03 0.00 -0.02 0.00 0.00 31.44 28.62 1v80 n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1v80 s SER 65 N -2.44 5.94 0.22 1.62 0.01 -1.17 -4.65 113.70 113.23 1v80 s SER 65 Ca 0.00 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 1v80 s SER 65 Cb 0.00 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 1v80 s SER 65 CO 0.00 -1.72 0.96 -0.89 0.41 0.00 0.00 173.24 172.00 1v80 s THR 66 N 6.75 4.09 0.29 1.44 2.01 -1.26 -2.21 115.64 126.74 1v80 s THR 66 Ca 0.72 2.02 0.04 0.00 0.31 0.00 0.00 61.69 64.78 1v80 s THR 66 Cb -0.18 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.08 1v80 s THR 66 CO 0.31 0.45 0.35 0.18 -0.69 0.00 0.00 174.62 175.22 1v80 n LEU 67 N 1.71 0.00 -3.87 4.42 7.99 0.51 -4.76 117.00 123.01 1v80 n LEU 67 Ca -0.01 -1.32 -0.27 0.00 -0.01 0.00 0.00 56.01 54.40 1v80 n LEU 67 Cb 0.47 -0.16 -0.17 0.00 -0.11 0.00 0.00 43.42 43.45 1v80 n LEU 67 CO 0.51 -0.55 -0.42 -1.00 -1.51 0.00 0.00 177.39 174.41 1v80 s HIS 68 N -0.98 1.43 -0.30 -1.77 3.76 0.52 -0.01 115.29 117.94 1v80 s HIS 68 Ca 0.26 -0.82 -0.12 0.00 -0.15 0.00 0.00 55.06 54.23 1v80 s HIS 68 Cb -0.02 -1.19 -0.04 0.00 1.11 0.00 0.00 32.58 32.44 1v80 s HIS 68 CO 0.17 -0.54 0.22 -1.17 -0.85 0.00 0.00 174.74 172.56 1v80 s LEU 69 N 1.72 4.15 0.32 0.89 2.96 0.49 0.74 118.68 129.96 1v80 s LEU 69 Ca 0.03 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 1v80 s LEU 69 Cb -0.14 -2.15 -0.06 0.00 0.50 0.00 0.00 46.19 44.34 1v80 s LEU 69 CO -0.08 -0.11 -0.04 0.68 -1.32 0.00 0.00 176.35 175.48 1v80 s VAL 70 N 1.77 1.82 0.39 1.68 -7.23 -0.74 -3.30 120.40 114.80 1v80 s VAL 70 Ca 0.07 -2.12 0.08 0.00 -1.81 0.00 0.00 61.98 58.20 1v80 s VAL 70 Cb -0.16 -2.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.13 1v80 s VAL 70 CO 0.11 -0.19 0.39 -0.76 -0.31 0.00 0.00 175.10 174.34 1v80 s LEU 71 N -3.54 3.52 0.00 1.32 2.01 -1.26 -2.58 118.68 118.16 1v80 s LEU 71 Ca 0.32 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 53.87 1v80 s LEU 71 Cb 0.05 -2.24 0.00 0.00 0.01 0.00 0.00 46.19 44.01 1v80 s LEU 71 CO 0.15 -0.58 0.02 0.54 1.01 0.00 0.00 176.35 177.48 1v80 n ARG 72 N -1.56 1.26 -0.38 1.70 1.74 -1.19 -4.98 116.66 113.25 1v80 n ARG 72 Ca 0.03 -2.15 -0.27 0.00 -0.77 0.00 0.00 57.85 54.68 1v80 n ARG 72 Cb 0.61 0.55 0.25 0.00 -1.02 0.00 0.00 32.46 32.84 1v80 n ARG 72 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1v80 n LEU 73 N 0.00 -1.04 -1.44 0.55 -0.00 -1.26 -4.10 117.00 109.71 1v80 n LEU 73 Ca -0.12 -0.57 -0.05 0.00 -0.00 0.00 0.00 56.01 55.27 1v80 n LEU 73 Cb 0.37 -1.00 0.01 0.00 -0.00 0.00 0.00 43.42 42.80 1v80 n LEU 73 CO 0.20 -3.95 -0.10 -2.11 -0.00 0.00 0.00 177.39 171.44 1v80 n ARG 74 N -4.46 -0.29 -1.85 1.47 1.85 -1.26 -4.73 116.66 107.40 1v80 n ARG 74 Ca 0.08 0.29 -0.35 0.00 -1.00 0.00 0.00 57.85 56.88 1v80 n ARG 74 Cb 0.54 -0.39 -0.02 0.00 -1.05 0.00 0.00 32.46 31.54 1v80 n ARG 74 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1v80 n GLY 75 N 0.31 5.00 0.03 2.89 0.00 -1.26 -4.97 105.19 107.19 1v80 n GLY 75 Ca -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.91 1v80 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93