#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xqq s GLN 2 N 0.00 1.35 0.14 3.17 -2.07 -1.26 -0.01 119.66 120.97 1xqq s GLN 2 Ca 0.00 -0.52 0.09 0.00 -1.82 0.00 0.00 55.36 53.11 1xqq s GLN 2 Cb 0.00 -1.25 -0.04 0.00 -1.09 0.00 0.00 33.01 30.63 1xqq s GLN 2 CO 0.00 0.27 -0.22 0.96 -1.32 0.00 0.00 175.29 174.98 1xqq s ILE 3 N -0.16 1.95 -0.13 3.63 -4.36 -0.72 -1.34 121.20 120.08 1xqq s ILE 3 Ca 0.02 -1.75 -0.04 0.00 -0.26 0.00 0.00 60.65 58.62 1xqq s ILE 3 Cb -0.08 -1.80 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 1xqq s ILE 3 CO 0.00 -0.10 0.01 -0.36 0.24 0.00 0.00 174.94 174.73 1xqq s PHE 4 N -1.43 3.15 -0.24 1.37 0.08 -0.31 -2.32 117.98 118.28 1xqq s PHE 4 Ca 0.12 0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.20 1xqq s PHE 4 Cb -0.09 -1.91 0.07 0.00 -0.57 0.00 0.00 43.02 40.52 1xqq s PHE 4 CO 0.06 0.25 -0.03 0.08 -0.10 0.00 0.00 175.22 175.49 1xqq s VAL 5 N -0.24 1.41 -0.12 -0.44 1.01 0.21 -1.24 120.40 121.00 1xqq s VAL 5 Ca 0.06 -1.23 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 1xqq s VAL 5 Cb -0.12 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1xqq s VAL 5 CO 0.02 -0.19 0.49 -0.75 0.00 0.00 0.00 175.10 174.67 1xqq s LYS 6 N 1.44 4.34 0.23 2.72 2.20 -0.56 -0.86 119.74 129.24 1xqq s LYS 6 Ca -0.03 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.06 1xqq s LYS 6 Cb -0.19 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.66 1xqq s LYS 6 CO -0.08 0.14 0.39 0.95 -0.36 0.00 0.00 175.35 176.40 1xqq s THR 7 N 0.67 5.22 -0.03 3.43 -4.23 -0.77 0.35 115.64 120.28 1xqq s THR 7 Ca 0.26 -0.58 -0.26 0.00 -1.18 0.00 0.00 61.69 59.94 1xqq s THR 7 Cb -0.15 -3.79 -0.21 0.00 1.34 0.00 0.00 72.50 69.69 1xqq s THR 7 CO 0.10 -0.27 1.18 0.25 -0.54 0.00 0.00 174.62 175.35 1xqq h LEU 8 N 1.61 0.07 0.00 4.79 5.85 -1.89 -3.33 115.31 122.41 1xqq h LEU 8 Ca -0.49 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.64 1xqq h LEU 8 Cb 1.21 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1xqq h LEU 8 CO 0.65 0.64 0.00 0.35 -0.34 0.00 0.00 178.44 179.74 1xqq n THR 9 N -4.75 0.00 -3.70 1.05 -2.24 -1.26 -4.98 114.28 98.39 1xqq n THR 9 Ca -0.09 1.05 -0.10 0.00 -2.27 0.00 0.00 64.05 62.64 1xqq n THR 9 Cb 0.32 -1.79 -0.05 0.00 -2.10 0.00 0.00 70.33 66.71 1xqq n THR 9 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xqq s GLY 10 N -0.09 -0.14 0.00 3.38 0.00 -1.25 -5.14 107.32 104.07 1xqq s GLY 10 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1xqq s GLY 10 CO 0.00 -0.39 0.00 1.17 0.00 0.00 0.00 173.10 173.88 1xqq n LYS 11 N -0.23 0.00 -4.04 2.90 4.81 -1.26 -4.39 118.16 115.95 1xqq n LYS 11 Ca -0.14 0.11 -0.32 0.00 -0.87 0.00 0.00 58.31 57.09 1xqq n LYS 11 Cb 0.63 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.53 1xqq n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1xqq s THR 12 N -0.48 2.19 0.32 3.15 2.01 -1.26 -1.85 115.64 119.72 1xqq s THR 12 Ca 0.00 -1.93 -0.11 0.00 0.31 0.00 0.00 61.69 59.96 1xqq s THR 12 Cb 0.00 -2.44 -0.07 0.00 0.01 0.00 0.00 72.50 70.00 1xqq s THR 12 CO 0.00 -0.28 0.68 0.27 -0.69 0.00 0.00 174.62 174.60 1xqq s ILE 13 N 1.03 4.82 -0.29 1.82 -4.36 -0.04 -4.80 121.20 119.38 1xqq s ILE 13 Ca -0.00 0.61 -0.04 0.00 -0.26 0.00 0.00 60.65 60.96 1xqq s ILE 13 Cb -0.20 -3.66 0.03 0.00 1.25 0.00 0.00 42.46 39.88 1xqq s ILE 13 CO -0.06 -0.27 0.03 -0.89 0.24 0.00 0.00 174.94 173.98 1xqq s THR 14 N -2.07 3.47 -0.08 8.37 2.01 -1.26 -0.62 115.64 125.46 1xqq s THR 14 Ca 0.50 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1xqq s THR 14 Cb -0.11 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.52 1xqq s THR 14 CO 0.24 0.02 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.40 1xqq s LEU 15 N 1.39 3.38 -0.13 4.42 2.01 -0.98 -4.98 118.68 123.79 1xqq s LEU 15 Ca -0.00 0.05 -0.25 0.00 0.01 0.00 0.00 54.13 53.94 1xqq s LEU 15 Cb -0.18 -1.76 -0.02 0.00 0.01 0.00 0.00 46.19 44.24 1xqq s LEU 15 CO 0.00 0.36 0.82 -0.70 1.01 0.00 0.00 176.35 177.84 1xqq s GLU 16 N -0.77 4.36 0.31 1.70 2.12 -1.26 -1.75 118.70 123.41 1xqq s GLU 16 Ca 0.12 1.04 -0.07 0.00 0.36 0.00 0.00 54.97 56.42 1xqq s GLU 16 Cb -0.11 -3.53 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1xqq s GLU 16 CO 0.02 -0.21 0.49 0.14 -0.54 0.00 0.00 175.26 175.16 1xqq s VAL 17 N 1.72 0.00 0.10 3.70 -7.23 0.98 -4.93 120.40 114.74 1xqq s VAL 17 Ca 0.40 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.14 1xqq s VAL 17 Cb -0.17 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1xqq s VAL 17 CO 0.15 0.00 -0.16 -1.61 -0.31 0.00 0.00 175.10 173.18 1xqq s GLU 18 N -3.33 1.93 0.00 4.82 2.02 -1.26 0.29 118.70 123.18 1xqq s GLU 18 Ca 0.27 -1.10 0.07 0.00 0.02 0.00 0.00 54.97 54.23 1xqq s GLU 18 Cb -0.01 -2.18 0.31 0.00 0.10 0.00 0.00 34.13 32.35 1xqq s GLU 18 CO 0.16 0.50 1.17 -0.35 0.02 0.00 0.00 175.26 176.75 1xqq n PRO 19 N 0.93 0.03 -0.53 0.39 -0.04 -1.26 -0.77 135.00 133.76 1xqq n PRO 19 Ca -0.15 0.33 0.08 0.00 -0.04 0.00 0.00 63.50 63.72 1xqq n PRO 19 Cb 0.52 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.78 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -1.42 4.32 -4.85 3.54 7.64 -1.26 -0.92 113.62 120.66 1xqq n SER 20 Ca 0.02 -2.64 -0.32 0.00 1.01 0.00 0.00 58.87 56.95 1xqq n SER 20 Cb 0.07 -0.52 -0.04 0.00 -1.01 0.00 0.00 64.21 62.70 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -1.25 6.64 0.57 6.43 1.01 0.05 -4.89 116.67 125.23 1xqq s ASP 21 Ca 0.44 1.40 -0.05 0.00 0.71 0.00 0.00 52.55 55.04 1xqq s ASP 21 Cb 0.31 -2.43 0.01 0.00 1.01 0.00 0.00 42.92 41.82 1xqq s ASP 21 CO 0.16 -0.45 0.87 0.42 0.21 0.00 0.00 175.17 176.39 1xqq s THR 22 N -2.41 3.73 -0.12 -1.27 -4.23 -1.26 -1.64 115.64 108.43 1xqq s THR 22 Ca 0.56 -0.04 0.24 0.00 -1.18 0.00 0.00 61.69 61.27 1xqq s THR 22 Cb -0.10 -3.47 0.28 0.00 1.34 0.00 0.00 72.50 70.55 1xqq s THR 22 CO 0.28 -0.46 1.72 0.40 -0.54 0.00 0.00 174.62 176.01 1xqq h ILE 23 N -0.10 0.30 -0.46 2.99 1.08 -0.89 -0.28 117.51 120.14 1xqq h ILE 23 Ca -0.45 -1.14 0.08 0.00 -0.39 0.00 0.00 64.86 62.95 1xqq h ILE 23 Cb 1.25 1.91 -0.03 0.00 -3.07 0.00 0.00 36.82 36.88 1xqq h ILE 23 CO 0.60 0.15 0.31 -0.08 -0.69 0.00 0.00 178.15 178.44 1xqq h GLU 24 N 0.00 0.30 0.00 2.37 4.81 -1.47 -0.60 114.58 119.99 1xqq h GLU 24 Ca -0.00 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1xqq h GLU 24 Cb 0.89 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1xqq h GLU 24 CO 0.02 0.20 -0.97 -0.91 -0.73 0.00 0.00 179.01 176.61 1xqq h ASN 25 N 0.31 0.00 -0.01 1.04 2.35 -1.35 -1.33 115.58 116.60 1xqq h ASN 25 Ca 0.21 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1xqq h ASN 25 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xqq h ASN 25 CO -0.05 0.18 -0.04 0.58 -1.65 0.00 0.00 177.43 176.46 1xqq h VAL 26 N 0.00 1.54 -0.83 2.81 2.07 -0.78 -2.60 116.25 118.47 1xqq h VAL 26 Ca -0.04 -1.65 0.21 0.00 0.82 0.00 0.00 66.70 66.03 1xqq h VAL 26 Cb 1.18 2.64 -0.13 0.00 -1.52 0.00 0.00 31.29 33.46 1xqq h VAL 26 CO 0.02 0.43 0.19 0.11 0.02 0.00 0.00 177.57 178.34 1xqq h LYS 27 N -0.64 0.21 -0.61 1.57 1.57 -1.19 -1.47 116.57 116.00 1xqq h LYS 27 Ca -0.00 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 27 Cb 0.73 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1xqq h LYS 27 CO 0.01 0.14 0.12 0.00 -0.57 0.00 0.00 179.45 179.14 1xqq h ALA 28 N 1.73 0.81 -0.58 3.86 0.00 -1.26 0.11 119.26 123.94 1xqq h ALA 28 Ca 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xqq h ALA 28 Cb 0.96 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1xqq h ALA 28 CO -0.62 0.56 0.27 0.87 0.00 0.00 0.00 179.25 180.33 1xqq h LYS 29 N 0.92 0.84 -0.71 0.00 1.79 -0.90 -1.45 116.57 117.05 1xqq h LYS 29 Ca 0.19 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1xqq h LYS 29 Cb 0.40 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1xqq h LYS 29 CO 0.01 0.69 0.27 0.82 -1.08 0.00 0.00 179.45 180.15 1xqq h ILE 30 N 0.79 1.25 0.00 1.86 2.04 -0.52 0.37 117.51 123.29 1xqq h ILE 30 Ca 0.20 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1xqq h ILE 30 Cb 0.13 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1xqq h ILE 30 CO -0.02 0.32 -0.10 -0.61 0.00 0.00 0.00 178.15 177.74 1xqq h GLN 31 N 1.04 0.00 0.00 2.37 4.15 -0.64 0.81 115.11 122.84 1xqq h GLN 31 Ca 0.24 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 1xqq h GLN 31 Cb 0.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1xqq h GLN 31 CO -0.02 0.10 -0.00 0.22 -1.93 0.00 0.00 178.83 177.20 1xqq h ASP 32 N 0.00 -0.00 0.02 -0.69 1.82 -0.76 -3.23 116.42 113.58 1xqq h ASP 32 Ca -0.00 -0.34 -0.05 0.00 -0.39 0.00 0.00 57.03 56.25 1xqq h ASP 32 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 1xqq h ASP 32 CO 0.01 0.67 -0.20 0.50 -1.61 0.00 0.00 179.24 178.61 1xqq h LYS 33 N -1.00 0.10 0.08 0.28 3.64 -0.63 -3.31 116.57 115.73 1xqq h LYS 33 Ca -0.00 -0.13 -0.23 0.00 -1.27 0.00 0.00 60.65 59.01 1xqq h LYS 33 Cb 0.34 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1xqq h LYS 33 CO 0.00 0.98 -1.20 0.93 -2.27 0.00 0.00 179.45 177.89 1xqq h GLU 34 N -0.72 0.17 -2.93 1.90 4.39 -1.50 -3.50 114.58 112.38 1xqq h GLU 34 Ca -0.03 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1xqq h GLU 34 Cb 1.07 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1xqq h GLU 34 CO 0.04 1.14 0.00 0.41 -1.16 0.00 0.00 179.01 179.44 1xqq n GLY 35 N 1.67 0.16 3.29 -3.84 0.00 0.18 -5.01 105.19 101.64 1xqq n GLY 35 Ca -0.24 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 1xqq n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xqq s ILE 36 N -2.98 3.31 0.74 -0.61 1.01 -1.25 -4.99 121.20 116.43 1xqq s ILE 36 Ca 0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1xqq s ILE 36 Cb 0.00 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1xqq s ILE 36 CO 0.00 0.37 1.20 -2.84 0.00 0.00 0.00 174.94 173.67 1xqq s PRO 37 N 1.45 2.07 0.16 2.79 0.02 -1.26 -3.91 135.00 136.33 1xqq s PRO 37 Ca 0.05 1.73 0.23 0.00 0.02 0.00 0.00 61.00 63.03 1xqq s PRO 37 Cb -0.15 -1.83 0.90 0.00 0.02 0.00 0.00 34.50 33.44 1xqq s PRO 37 CO -0.03 -1.88 1.70 -0.35 -0.33 0.00 0.00 177.00 176.11 1xqq n PRO 38 N -2.83 0.15 0.00 5.54 -0.04 -1.26 -1.45 135.00 135.10 1xqq n PRO 38 Ca 0.13 0.29 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1xqq n PRO 38 Cb 0.50 -1.73 0.14 0.00 -0.04 0.00 0.00 33.50 32.37 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xqq n ASP 39 N -2.00 0.65 -0.06 3.54 8.00 -1.26 -3.26 116.55 122.16 1xqq n ASP 39 Ca 0.04 -0.46 0.14 0.00 0.71 0.00 0.00 54.79 55.22 1xqq n ASP 39 Cb 0.28 0.47 0.55 0.00 -0.02 0.00 0.00 41.12 42.40 1xqq n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xqq n GLN 40 N -1.51 0.35 -3.43 -1.24 6.02 -0.53 -4.50 117.38 112.54 1xqq n GLN 40 Ca 0.05 -0.11 -0.38 0.00 -0.01 0.00 0.00 57.00 56.55 1xqq n GLN 40 Cb 0.34 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1xqq s GLN 41 N -2.72 4.11 -0.46 -1.09 -0.21 -1.20 -2.23 119.66 115.86 1xqq s GLN 41 Ca 0.21 0.08 -0.10 0.00 0.02 0.00 0.00 55.36 55.57 1xqq s GLN 41 Cb 0.19 -3.57 0.10 0.00 1.00 0.00 0.00 33.01 30.73 1xqq s GLN 41 CO 0.53 -0.09 0.33 0.50 -2.12 0.00 0.00 175.29 174.44 1xqq s ARG 42 N 1.49 2.62 -0.65 2.91 3.52 0.85 -4.58 118.95 125.10 1xqq s ARG 42 Ca 0.16 -1.61 -0.21 0.00 -0.13 0.00 0.00 55.73 53.94 1xqq s ARG 42 Cb -0.15 -3.93 0.09 0.00 -1.56 0.00 0.00 34.95 29.40 1xqq s ARG 42 CO 0.08 -1.11 0.87 -0.51 -0.81 0.00 0.00 175.30 173.83 1xqq s LEU 43 N 1.43 4.85 -0.30 -0.88 1.43 -1.26 -1.51 118.68 122.45 1xqq s LEU 43 Ca 0.04 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 51.79 1xqq s LEU 43 Cb -0.25 -2.37 -0.01 0.00 0.03 0.00 0.00 46.19 43.58 1xqq s LEU 43 CO 0.01 -1.28 0.14 -0.63 0.23 0.00 0.00 176.35 174.82 1xqq s ILE 44 N 3.39 4.58 -0.37 -0.59 1.01 -0.72 -2.70 121.20 125.79 1xqq s ILE 44 Ca 0.19 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 1xqq s ILE 44 Cb -0.19 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.00 1xqq s ILE 44 CO 0.07 0.13 0.55 0.12 0.00 0.00 0.00 174.94 175.81 1xqq s PHE 45 N 1.62 3.16 0.00 3.97 2.19 -0.87 -1.39 117.98 126.65 1xqq s PHE 45 Ca 0.05 0.13 0.00 0.00 0.33 0.00 0.00 56.93 57.44 1xqq s PHE 45 Cb -0.17 -3.03 0.00 0.00 -1.31 0.00 0.00 43.02 38.52 1xqq s PHE 45 CO 0.06 -0.62 0.00 0.00 1.83 0.00 0.00 175.22 176.49 1xqq n ALA 46 N 5.87 0.00 -1.91 11.12 0.00 -1.26 -2.81 120.51 131.53 1xqq n ALA 46 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xqq n ALA 46 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1xqq n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xqq n GLY 47 N 0.00 0.40 3.00 0.00 0.00 -1.26 -5.06 105.19 102.27 1xqq n GLY 47 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1xqq n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 48 N 0.00 0.53 0.42 1.61 2.20 -1.12 -5.15 119.74 118.22 1xqq s LYS 48 Ca 0.00 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 1xqq s LYS 48 Cb 0.00 -0.46 0.00 0.00 -1.51 0.00 0.00 37.83 35.86 1xqq s LYS 48 CO 0.00 0.12 0.60 1.14 -0.36 0.00 0.00 175.35 176.85 1xqq s GLN 49 N -0.56 3.00 0.20 4.03 -2.07 -1.26 -2.06 119.66 120.94 1xqq s GLN 49 Ca -0.01 -0.78 0.05 0.00 -1.82 0.00 0.00 55.36 52.80 1xqq s GLN 49 Cb -0.05 -2.67 -0.04 0.00 -1.09 0.00 0.00 33.01 29.17 1xqq s GLN 49 CO 0.00 -0.20 0.21 -0.51 -1.32 0.00 0.00 175.29 173.47 1xqq s LEU 50 N -4.42 3.96 -0.09 2.60 2.01 -1.10 -4.94 118.68 116.70 1xqq s LEU 50 Ca 0.49 -0.09 -0.07 0.00 0.01 0.00 0.00 54.13 54.47 1xqq s LEU 50 Cb -0.10 -2.53 -0.04 0.00 0.01 0.00 0.00 46.19 43.53 1xqq s LEU 50 CO 0.35 0.02 0.17 -1.61 1.01 0.00 0.00 176.35 176.29 1xqq s GLU 51 N -3.44 3.47 -0.03 1.70 2.02 -1.26 -4.97 118.70 116.20 1xqq s GLU 51 Ca 0.32 -0.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.94 1xqq s GLU 51 Cb -0.09 -3.17 -0.19 0.00 0.10 0.00 0.00 34.13 30.77 1xqq s GLU 51 CO 0.25 0.75 1.18 -0.44 0.02 0.00 0.00 175.26 177.03 1xqq h ASP 52 N 4.75 -0.07 -0.15 -0.19 3.32 -1.99 -3.06 116.42 119.04 1xqq h ASP 52 Ca -0.54 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.06 1xqq h ASP 52 Cb 1.22 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1xqq h ASP 52 CO 0.60 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 179.16 1xqq n GLY 53 N 0.28 0.87 3.95 2.75 0.00 -1.26 -1.30 105.19 110.47 1xqq n GLY 53 Ca -0.09 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1xqq n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xqq s ARG 54 N -1.58 3.16 0.45 1.61 1.81 -1.15 -4.97 118.95 118.29 1xqq s ARG 54 Ca 0.12 -0.96 0.07 0.00 -1.72 0.00 0.00 55.73 53.24 1xqq s ARG 54 Cb 0.08 -2.77 -0.00 0.00 -0.45 0.00 0.00 34.95 31.80 1xqq s ARG 54 CO 0.05 0.24 0.40 0.95 -0.68 0.00 0.00 175.30 176.27 1xqq s THR 55 N -2.12 2.40 0.31 0.02 -4.23 -1.26 -2.08 115.64 108.68 1xqq s THR 55 Ca 0.39 -1.37 0.02 0.00 -1.18 0.00 0.00 61.69 59.56 1xqq s THR 55 Cb -0.09 -2.77 0.14 0.00 1.34 0.00 0.00 72.50 71.13 1xqq s THR 55 CO 0.29 0.00 1.83 -0.07 -0.54 0.00 0.00 174.62 176.13 1xqq h LEU 56 N 0.93 0.59 -0.53 4.79 3.38 -1.40 -2.74 115.31 120.34 1xqq h LEU 56 Ca -0.40 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.53 1xqq h LEU 56 Cb 1.27 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.57 0.66 0.16 -1.28 0.09 0.00 0.00 178.44 178.64 1xqq h SER 57 N 0.60 0.13 -0.74 -0.43 0.87 -1.29 -0.34 113.55 112.35 1xqq h SER 57 Ca 0.12 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1xqq h SER 57 Cb 0.37 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 1xqq h SER 57 CO 0.01 0.09 0.49 0.44 -0.53 0.00 0.00 176.83 177.33 1xqq h ASP 58 N 0.32 0.79 -0.37 6.23 3.32 -1.80 -0.82 116.42 124.09 1xqq h ASP 58 Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xqq h ASP 58 Cb 0.32 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1xqq h ASP 58 CO -0.29 0.55 0.00 -1.22 -1.72 0.00 0.00 179.24 176.56 1xqq n TYR 59 N -4.45 0.69 -4.19 4.55 4.01 -1.10 -4.94 117.16 111.73 1xqq n TYR 59 Ca 0.09 -0.30 -0.34 0.00 -0.16 0.00 0.00 57.90 57.19 1xqq n TYR 59 Cb 0.10 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xqq n ASN 60 N 0.57 -2.56 -4.39 7.72 5.15 -0.32 -4.95 115.26 116.48 1xqq n ASN 60 Ca 0.14 -1.03 -0.44 0.00 -0.60 0.00 0.00 54.58 52.65 1xqq n ASN 60 Cb 0.45 -2.74 -0.04 0.00 -0.53 0.00 0.00 39.78 36.91 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.46 4.73 0.93 -1.44 1.01 -0.19 -5.01 121.20 117.77 1xqq s ILE 61 Ca 0.58 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 1xqq s ILE 61 Cb -0.32 -4.55 0.17 0.00 0.01 0.00 0.00 42.46 37.77 1xqq s ILE 61 CO 0.93 -1.23 1.29 -1.10 0.00 0.00 0.00 174.94 174.83 1xqq s GLN 62 N 2.92 0.94 0.56 2.79 -0.21 -1.26 -4.62 119.66 120.78 1xqq s GLN 62 Ca 0.15 -0.29 -0.18 0.00 0.02 0.00 0.00 55.36 55.06 1xqq s GLN 62 Cb -0.21 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 31.88 1xqq s GLN 62 CO 0.06 -2.23 1.10 -1.59 -2.12 0.00 0.00 175.29 170.50 1xqq s LYS 63 N -5.82 3.34 -0.09 2.91 -2.85 -1.26 -3.31 119.74 112.66 1xqq s LYS 63 Ca 0.71 1.46 0.00 0.00 -1.00 0.00 0.00 55.97 57.14 1xqq s LYS 63 Cb -0.06 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 1xqq s LYS 63 CO 0.52 -0.83 0.00 0.39 0.10 0.00 0.00 175.35 175.53 1xqq n GLU 64 N -1.54 -0.46 -2.47 1.78 1.02 -0.45 -5.02 120.64 113.50 1xqq n GLU 64 Ca 0.10 0.21 -0.37 0.00 -0.02 0.00 0.00 57.16 57.09 1xqq n GLU 64 Cb 0.52 -3.64 -0.03 0.00 -0.02 0.00 0.00 31.44 28.27 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1xqq s SER 65 N -2.16 6.62 -0.24 1.62 0.01 -1.21 -4.77 113.70 113.57 1xqq s SER 65 Ca 0.00 2.12 -0.14 0.00 1.31 0.00 0.00 55.95 59.24 1xqq s SER 65 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -0.59 0.31 -0.89 0.41 0.00 0.00 173.24 172.48 1xqq s THR 66 N -1.62 5.24 0.10 1.44 2.01 -1.26 -1.16 115.64 120.39 1xqq s THR 66 Ca 0.59 0.48 0.08 0.00 0.31 0.00 0.00 61.69 63.15 1xqq s THR 66 Cb -0.24 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1xqq s THR 66 CO 0.30 0.25 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.06 1xqq s LEU 67 N 1.53 2.30 -0.20 4.42 2.96 -0.37 -4.82 118.68 124.49 1xqq s LEU 67 Ca 0.14 -0.68 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1xqq s LEU 67 Cb -0.15 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.72 1xqq s LEU 67 CO 0.08 0.03 -0.05 -1.00 -1.32 0.00 0.00 176.35 174.09 1xqq s HIS 68 N -1.20 2.95 -0.51 5.38 3.76 -0.49 -1.50 115.29 123.69 1xqq s HIS 68 Ca 0.05 -0.80 -0.17 0.00 -0.15 0.00 0.00 55.06 54.00 1xqq s HIS 68 Cb -0.10 -2.06 0.09 0.00 1.11 0.00 0.00 32.58 31.62 1xqq s HIS 68 CO 0.04 -0.43 0.49 -1.17 -0.85 0.00 0.00 174.74 172.82 1xqq s LEU 69 N 1.21 5.67 0.39 0.89 2.96 0.15 -1.75 118.68 128.19 1xqq s LEU 69 Ca 0.03 -1.41 0.07 0.00 -0.22 0.00 0.00 54.13 52.60 1xqq s LEU 69 Cb -0.14 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.30 1xqq s LEU 69 CO -0.01 -0.80 0.53 -0.69 -1.32 0.00 0.00 176.35 174.06 1xqq s VAL 70 N 1.89 3.38 0.21 1.68 1.01 -0.57 -3.76 120.40 124.24 1xqq s VAL 70 Ca 0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 1xqq s VAL 70 Cb -0.25 -3.15 -0.08 0.00 0.00 0.00 0.00 36.38 32.90 1xqq s VAL 70 CO 0.06 -0.06 0.98 -0.22 0.00 0.00 0.00 175.10 175.87 1xqq s LEU 71 N -4.28 4.59 -0.18 3.92 2.96 -1.26 -0.11 118.68 124.31 1xqq s LEU 71 Ca 0.51 1.97 -0.06 0.00 -0.22 0.00 0.00 54.13 56.34 1xqq s LEU 71 Cb -0.10 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1xqq s LEU 71 CO 0.32 0.03 0.02 -0.60 -1.32 0.00 0.00 176.35 174.81 1xqq s ARG 72 N -0.87 3.80 0.26 1.98 3.52 -0.95 -4.48 118.95 122.22 1xqq s ARG 72 Ca 0.44 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.57 1xqq s ARG 72 Cb -0.27 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 29.96 1xqq s ARG 72 CO 0.33 0.18 0.50 -0.51 -0.81 0.00 0.00 175.30 174.99 1xqq s LEU 73 N 0.59 4.11 -0.18 -0.88 1.43 -1.26 -4.64 118.68 117.85 1xqq s LEU 73 Ca 0.01 0.60 -0.27 0.00 -1.03 0.00 0.00 54.13 53.43 1xqq s LEU 73 Cb -0.14 -3.40 -0.01 0.00 0.03 0.00 0.00 46.19 42.68 1xqq s LEU 73 CO 0.02 -0.15 0.93 -0.13 0.23 0.00 0.00 176.35 177.25 1xqq s ARG 74 N -3.51 4.30 0.00 1.70 1.81 -1.26 -4.11 118.95 117.88 1xqq s ARG 74 Ca 0.42 1.18 0.00 0.00 -1.72 0.00 0.00 55.73 55.61 1xqq s ARG 74 Cb -0.11 -3.59 0.00 0.00 -0.45 0.00 0.00 34.95 30.80 1xqq s ARG 74 CO 0.30 -0.43 0.00 0.41 -0.68 0.00 0.00 175.30 174.90 1xqq n GLY 75 N 3.38 0.29 0.00 -3.53 0.00 -1.26 -5.30 105.19 98.76 1xqq n GLY 75 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93