#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 3.81 0.43 3.17 0.74 -1.26 -2.39 119.66 124.16 1xqq s GLN 2 Ca 0.00 0.31 0.07 0.00 0.05 0.00 0.00 55.36 55.79 1xqq s GLN 2 Cb 0.00 -3.78 -0.03 0.00 1.10 0.00 0.00 33.01 30.31 1xqq s GLN 2 CO 0.00 -0.73 0.31 0.96 -0.55 0.00 0.00 175.29 175.28 1xqq s ILE 3 N 2.87 2.40 0.09 -2.34 -4.36 -1.17 0.28 121.20 118.98 1xqq s ILE 3 Ca 0.29 -1.49 0.09 0.00 -0.26 0.00 0.00 60.65 59.28 1xqq s ILE 3 Cb -0.14 -2.90 -0.03 0.00 1.25 0.00 0.00 42.46 40.64 1xqq s ILE 3 CO 0.14 0.00 -0.25 -0.36 0.24 0.00 0.00 174.94 174.72 1xqq s PHE 4 N -2.56 2.15 -0.11 1.37 0.08 -0.15 -1.66 117.98 117.09 1xqq s PHE 4 Ca 0.44 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 57.09 1xqq s PHE 4 Cb -0.00 -1.22 0.02 0.00 -0.57 0.00 0.00 43.02 41.25 1xqq s PHE 4 CO 0.25 0.22 -0.09 0.08 -0.10 0.00 0.00 175.22 175.58 1xqq s VAL 5 N -0.96 1.12 -0.21 -0.44 1.01 -0.28 -1.25 120.40 119.40 1xqq s VAL 5 Ca 0.11 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 1xqq s VAL 5 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1xqq s VAL 5 CO 0.04 0.38 0.10 -0.75 0.00 0.00 0.00 175.10 174.87 1xqq s LYS 6 N 1.58 4.01 0.61 2.72 2.20 0.39 -0.98 119.74 130.27 1xqq s LYS 6 Ca 0.03 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.30 1xqq s LYS 6 Cb -0.13 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1xqq s LYS 6 CO -0.08 0.18 0.87 0.95 -0.36 0.00 0.00 175.35 176.92 1xqq s THR 7 N 0.65 2.71 0.29 3.43 -4.23 -1.16 -0.74 115.64 116.59 1xqq s THR 7 Ca 0.05 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 1xqq s THR 7 Cb -0.13 -3.08 0.29 0.00 1.34 0.00 0.00 72.50 70.92 1xqq s THR 7 CO 0.01 -0.07 1.78 -0.07 -0.54 0.00 0.00 174.62 175.73 1xqq h LEU 8 N -0.19 0.74 0.00 4.79 3.38 -1.93 -3.41 115.31 118.69 1xqq h LEU 8 Ca -0.44 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xqq h LEU 8 Cb 1.30 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 8 CO 0.56 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1xqq n THR 9 N -4.78 0.00 0.00 0.22 -2.24 -1.26 -5.01 114.28 101.21 1xqq n THR 9 Ca 0.22 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.41 1xqq n THR 9 Cb 0.53 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xqq n GLY 10 N 1.78 0.00 3.34 3.38 0.00 -1.26 -5.16 105.19 107.27 1xqq n GLY 10 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1xqq n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xqq s LYS 11 N 0.00 2.12 -0.42 1.61 2.20 -1.26 -5.04 119.74 118.95 1xqq s LYS 11 Ca 0.00 -0.92 -0.11 0.00 -0.36 0.00 0.00 55.97 54.58 1xqq s LYS 11 Cb 0.00 -2.08 0.07 0.00 -1.51 0.00 0.00 37.83 34.31 1xqq s LYS 11 CO 0.00 0.56 0.28 0.99 -0.36 0.00 0.00 175.35 176.82 1xqq s THR 12 N -0.66 4.51 -0.52 3.43 2.01 -1.26 -2.99 115.64 120.16 1xqq s THR 12 Ca 0.11 -1.23 -0.21 0.00 0.31 0.00 0.00 61.69 60.67 1xqq s THR 12 Cb -0.10 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 68.76 1xqq s THR 12 CO -0.00 -0.48 0.74 -0.63 -0.69 0.00 0.00 174.62 173.56 1xqq s ILE 13 N 1.50 4.70 -0.18 1.82 1.01 -0.15 -4.90 121.20 125.00 1xqq s ILE 13 Ca 0.03 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.18 1xqq s ILE 13 Cb -0.23 -4.39 -0.01 0.00 0.01 0.00 0.00 42.46 37.85 1xqq s ILE 13 CO 0.04 -0.93 0.92 -0.89 0.00 0.00 0.00 174.94 174.08 1xqq s THR 14 N 3.11 4.81 0.17 2.92 2.01 -1.26 -1.12 115.64 126.27 1xqq s THR 14 Ca 0.20 1.80 0.09 0.00 0.31 0.00 0.00 61.69 64.10 1xqq s THR 14 Cb -0.17 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1xqq s THR 14 CO 0.14 -0.04 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.62 1xqq s LEU 15 N 2.43 2.44 -0.15 4.42 2.96 -0.66 -5.01 118.68 125.11 1xqq s LEU 15 Ca 0.41 -0.86 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1xqq s LEU 15 Cb -0.16 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 1xqq s LEU 15 CO 0.12 0.00 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.35 1xqq s GLU 16 N -2.75 3.48 0.24 1.98 2.12 -1.26 -3.03 118.70 119.47 1xqq s GLU 16 Ca 0.17 -0.63 -0.09 0.00 0.36 0.00 0.00 54.97 54.78 1xqq s GLU 16 Cb -0.06 -2.75 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 1xqq s GLU 16 CO 0.07 0.19 0.38 0.14 -0.54 0.00 0.00 175.26 175.51 1xqq s VAL 17 N 0.44 0.00 0.34 3.70 -7.23 -1.01 -4.98 120.40 111.67 1xqq s VAL 17 Ca -0.07 -1.58 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1xqq s VAL 17 Cb -0.15 -2.30 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 1xqq s VAL 17 CO 0.04 0.00 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.92 1xqq s GLU 18 N -4.02 1.78 0.52 4.82 -1.05 -1.26 0.53 118.70 120.03 1xqq s GLU 18 Ca 0.27 -1.92 0.31 0.00 -0.15 0.00 0.00 54.97 53.48 1xqq s GLU 18 Cb 0.01 -1.61 1.28 0.00 -0.44 0.00 0.00 34.13 33.37 1xqq s GLU 18 CO 0.10 0.11 1.96 -1.35 0.95 0.00 0.00 175.26 177.04 1xqq h PRO 19 N 2.05 0.00 0.00 -4.83 0.11 -1.95 -1.85 132.00 125.53 1xqq h PRO 19 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.70 0.07 0.00 0.43 -0.21 0.00 0.00 178.00 178.99 1xqq n SER 20 N -3.21 0.00 -4.77 -2.05 7.64 -1.26 -1.12 113.62 108.84 1xqq n SER 20 Ca 0.00 -0.23 -0.38 0.00 1.01 0.00 0.00 58.87 59.27 1xqq n SER 20 Cb 0.33 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.49 7.30 0.38 6.43 1.01 -0.70 -4.85 116.67 123.76 1xqq s ASP 21 Ca 0.29 1.96 -0.06 0.00 0.71 0.00 0.00 52.55 55.45 1xqq s ASP 21 Cb 0.19 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.48 1xqq s ASP 21 CO 0.42 -0.10 0.69 0.42 0.21 0.00 0.00 175.17 176.81 1xqq s THR 22 N -1.46 4.92 0.38 -1.27 -4.23 -1.26 -2.06 115.64 110.66 1xqq s THR 22 Ca 0.49 0.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.30 1xqq s THR 22 Cb -0.23 -3.78 0.22 0.00 1.34 0.00 0.00 72.50 70.05 1xqq s THR 22 CO 0.29 -0.55 1.98 0.40 -0.54 0.00 0.00 174.62 176.20 1xqq h ILE 23 N 0.91 1.14 -0.86 2.99 1.08 -0.06 -0.98 117.51 121.73 1xqq h ILE 23 Ca -0.47 -0.46 0.22 0.00 -0.39 0.00 0.00 64.86 63.76 1xqq h ILE 23 Cb 1.20 0.74 -0.15 0.00 -3.07 0.00 0.00 36.82 35.54 1xqq h ILE 23 CO 0.64 0.17 0.12 -0.08 -0.69 0.00 0.00 178.15 178.32 1xqq h GLU 24 N 0.49 0.13 -0.11 2.37 4.57 -1.59 -2.24 114.58 118.20 1xqq h GLU 24 Ca 0.12 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 1xqq h GLU 24 Cb 0.12 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1xqq h GLU 24 CO -0.01 0.09 -0.36 -0.97 -1.18 0.00 0.00 179.01 176.57 1xqq h ASN 25 N 0.14 0.51 -0.33 1.04 -0.73 -1.55 -2.98 115.58 111.68 1xqq h ASN 25 Ca 0.52 -0.61 0.05 0.00 1.87 0.00 0.00 56.30 58.13 1xqq h ASN 25 Cb 1.02 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.41 1xqq h ASN 25 CO -0.71 1.03 0.05 0.58 -0.37 0.00 0.00 177.43 178.02 1xqq h VAL 26 N 0.01 0.83 -0.69 2.57 2.07 -0.94 -2.20 116.25 117.90 1xqq h VAL 26 Ca -0.01 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1xqq h VAL 26 Cb 0.99 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1xqq h VAL 26 CO 0.08 0.03 0.33 0.11 0.02 0.00 0.00 177.57 178.14 1xqq h LYS 27 N 0.17 0.54 -0.74 1.57 1.57 -1.49 0.12 116.57 118.30 1xqq h LYS 27 Ca 0.15 -0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.07 1xqq h LYS 27 Cb 0.18 -0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.25 1xqq h LYS 27 CO -0.21 0.36 0.13 0.00 -0.57 0.00 0.00 179.45 179.16 1xqq h ALA 28 N 1.43 0.92 -0.25 3.86 0.00 -1.29 -1.38 119.26 122.55 1xqq h ALA 28 Ca 0.34 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.33 1xqq h ALA 28 Cb 0.38 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xqq h ALA 28 CO -0.28 -0.38 -0.35 0.87 0.00 0.00 0.00 179.25 179.12 1xqq h LYS 29 N 0.21 0.53 -0.44 0.00 1.57 -0.59 -2.72 116.57 115.13 1xqq h LYS 29 Ca 0.42 -0.24 0.09 0.00 -1.87 0.00 0.00 60.65 59.05 1xqq h LYS 29 Cb 0.74 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.96 1xqq h LYS 29 CO -0.56 0.81 -0.07 0.82 -0.57 0.00 0.00 179.45 179.87 1xqq h ILE 30 N 0.45 0.59 0.00 1.86 2.04 -0.48 -1.69 117.51 120.28 1xqq h ILE 30 Ca 0.05 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1xqq h ILE 30 Cb 0.82 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1xqq h ILE 30 CO 0.07 0.01 -0.10 -0.61 0.00 0.00 0.00 178.15 177.51 1xqq h GLN 31 N 0.03 0.00 -0.04 2.37 4.15 -1.01 -0.11 115.11 120.50 1xqq h GLN 31 Ca 0.22 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.54 1xqq h GLN 31 Cb 0.33 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1xqq h GLN 31 CO -0.43 0.10 -0.41 0.22 -1.93 0.00 0.00 178.83 176.38 1xqq h ASP 32 N 0.00 0.08 0.01 -0.69 3.58 -1.01 -3.38 116.42 115.02 1xqq h ASP 32 Ca -0.00 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 1xqq h ASP 32 Cb 0.31 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1xqq h ASP 32 CO 0.01 0.48 -0.01 0.11 -2.88 0.00 0.00 179.24 176.96 1xqq h LYS 33 N 0.07 -0.02 -6.53 0.28 1.79 -0.90 -3.47 116.57 107.80 1xqq h LYS 33 Ca 0.00 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.82 1xqq h LYS 33 Cb 0.76 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 31.16 1xqq h LYS 33 CO 0.06 -0.01 -0.86 -1.21 -1.08 0.00 0.00 179.45 176.34 1xqq s GLU 34 N -1.28 1.58 -1.49 3.15 0.41 -0.74 -5.04 118.70 115.29 1xqq s GLU 34 Ca -0.00 -1.09 -0.11 0.00 -0.41 0.00 0.00 54.97 53.36 1xqq s GLU 34 Cb 0.00 -1.79 0.01 0.00 -1.78 0.00 0.00 34.13 30.58 1xqq s GLU 34 CO 0.01 0.45 2.51 0.41 -0.49 0.00 0.00 175.26 178.15 1xqq n GLY 35 N 1.64 4.51 3.24 -1.39 0.00 -1.26 -3.85 105.19 108.09 1xqq n GLY 35 Ca -0.17 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.79 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 1.81 3.57 0.26 -0.61 -1.09 -1.26 -5.10 121.20 118.78 1xqq s ILE 36 Ca 0.56 -1.22 -0.31 0.00 -2.23 0.00 0.00 60.65 57.46 1xqq s ILE 36 Cb 0.16 -3.04 -0.13 0.00 -1.58 0.00 0.00 42.46 37.87 1xqq s ILE 36 CO -0.07 -0.17 1.40 -2.65 -1.23 0.00 0.00 174.94 172.22 1xqq n PRO 37 N 4.76 2.08 0.31 2.79 -0.02 -1.26 -4.51 135.00 139.15 1xqq n PRO 37 Ca -0.12 0.74 0.21 0.00 -2.02 0.00 0.00 63.50 62.30 1xqq n PRO 37 Cb 0.44 -2.39 1.06 0.00 -0.02 0.00 0.00 33.50 32.59 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xqq h PRO 38 N 3.99 0.00 0.00 0.52 0.13 -1.94 0.37 132.00 135.07 1xqq h PRO 38 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xqq h PRO 38 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1xqq h PRO 38 CO 0.74 0.00 -0.18 0.38 -0.23 0.00 0.00 178.00 178.71 1xqq h ASP 39 N 0.00 0.00 0.05 1.44 2.03 -1.99 -3.28 116.42 114.67 1xqq h ASP 39 Ca 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 1xqq h ASP 39 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1xqq h ASP 39 CO 0.00 0.02 -1.47 0.00 -1.03 0.00 0.00 179.24 176.76 1xqq n GLN 40 N -2.47 0.34 -2.55 4.15 6.02 0.05 -4.81 117.38 118.10 1xqq n GLN 40 Ca 0.04 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 1xqq n GLN 40 Cb 0.47 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 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 -3.26 4.29 -0.25 -1.09 -0.21 -0.79 -0.88 119.66 117.46 1xqq s GLN 41 Ca 0.00 1.51 0.02 0.00 0.02 0.00 0.00 55.36 56.92 1xqq s GLN 41 Cb 0.15 -3.65 0.06 0.00 1.00 0.00 0.00 33.01 30.57 1xqq s GLN 41 CO 0.88 -0.57 -0.10 0.50 -2.12 0.00 0.00 175.29 173.88 1xqq s ARG 42 N 2.94 2.13 -0.51 2.91 3.52 0.08 -4.72 118.95 125.30 1xqq s ARG 42 Ca 0.50 -1.24 -0.19 0.00 -0.13 0.00 0.00 55.73 54.67 1xqq s ARG 42 Cb -0.19 -2.80 0.06 0.00 -1.56 0.00 0.00 34.95 30.45 1xqq s ARG 42 CO 0.13 -0.56 0.63 -0.51 -0.81 0.00 0.00 175.30 174.18 1xqq s LEU 43 N 1.18 4.97 -0.01 -0.88 1.43 -1.26 -1.63 118.68 122.47 1xqq s LEU 43 Ca -0.08 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 51.90 1xqq s LEU 43 Cb -0.19 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.53 1xqq s LEU 43 CO -0.06 -0.89 0.62 -0.63 0.23 0.00 0.00 176.35 175.63 1xqq s ILE 44 N 2.63 4.92 -0.19 -0.59 -1.09 -0.54 -2.19 121.20 124.15 1xqq s ILE 44 Ca 0.15 1.30 -0.04 0.00 -2.23 0.00 0.00 60.65 59.83 1xqq s ILE 44 Cb -0.19 -3.96 0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1xqq s ILE 44 CO 0.12 0.38 0.07 0.12 -1.23 0.00 0.00 174.94 174.40 1xqq s PHE 45 N 0.00 0.59 0.00 3.97 5.36 -0.33 -0.68 117.98 126.90 1xqq s PHE 45 Ca 0.32 -0.62 0.00 0.00 -0.96 0.00 0.00 56.93 55.68 1xqq s PHE 45 Cb -0.18 -0.87 0.00 0.00 -0.34 0.00 0.00 43.02 41.62 1xqq s PHE 45 CO 0.18 -0.58 0.00 0.00 -1.46 0.00 0.00 175.22 173.35 1xqq n ALA 46 N 5.17 0.00 0.31 11.12 0.00 -1.26 -2.01 120.51 133.84 1xqq n ALA 46 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 1xqq n ALA 46 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.96 3.54 0.00 0.00 -1.26 -5.03 105.19 101.49 1xqq n GLY 47 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1xqq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N -3.29 2.19 0.02 1.61 1.02 -0.85 -5.08 119.74 115.35 1xqq s LYS 48 Ca -0.03 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.71 1xqq s LYS 48 Cb 0.14 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 1xqq s LYS 48 CO 0.87 0.54 1.23 -1.14 -0.92 0.00 0.00 175.35 175.93 1xqq s GLN 49 N -1.80 4.38 0.09 1.68 0.74 -1.26 -1.18 119.66 122.30 1xqq s GLN 49 Ca 0.18 1.77 -0.30 0.00 0.05 0.00 0.00 55.36 57.07 1xqq s GLN 49 Cb -0.11 -3.45 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 1xqq s GLN 49 CO 0.10 -0.37 1.02 -0.51 -0.55 0.00 0.00 175.29 174.98 1xqq s LEU 50 N 1.64 4.45 0.10 3.68 1.43 -0.93 -4.99 118.68 124.06 1xqq s LEU 50 Ca 0.59 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.57 1xqq s LEU 50 Cb -0.28 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1xqq s LEU 50 CO 0.26 -0.20 0.07 -1.61 0.23 0.00 0.00 176.35 175.11 1xqq s GLU 51 N 0.34 2.80 0.17 1.70 2.02 -1.26 -4.69 118.70 119.79 1xqq s GLU 51 Ca 0.50 -0.77 -0.23 0.00 0.02 0.00 0.00 54.97 54.48 1xqq s GLU 51 Cb -0.25 -2.66 0.06 0.00 0.10 0.00 0.00 34.13 31.39 1xqq s GLU 51 CO 0.30 0.54 1.59 -0.44 0.02 0.00 0.00 175.26 177.27 1xqq h ASP 52 N 3.10 -1.22 -0.07 -0.19 5.19 -1.96 -2.89 116.42 118.38 1xqq h ASP 52 Ca -0.47 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 1xqq h ASP 52 Cb 1.17 0.57 0.00 0.00 0.18 0.00 0.00 39.33 41.25 1xqq h ASP 52 CO 0.64 -0.33 0.00 0.61 -3.12 0.00 0.00 179.24 177.04 1xqq n GLY 53 N -1.42 -0.50 3.80 2.75 0.00 -1.26 -1.68 105.19 106.88 1xqq n GLY 53 Ca 0.02 -0.21 -0.28 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 -1.90 2.94 0.70 1.61 0.52 -1.09 -4.88 118.95 116.85 1xqq s ARG 54 Ca 0.25 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.66 1xqq s ARG 54 Cb 0.13 -2.71 0.10 0.00 0.52 0.00 0.00 34.95 32.99 1xqq s ARG 54 CO 0.20 0.52 0.98 0.95 0.02 0.00 0.00 175.30 177.98 1xqq s THR 55 N -1.59 2.27 0.14 0.02 -4.23 -1.26 0.35 115.64 111.34 1xqq s THR 55 Ca 0.31 -0.47 -0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1xqq s THR 55 Cb -0.11 -2.80 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 1xqq s THR 55 CO 0.23 0.00 1.34 -0.07 -0.54 0.00 0.00 174.62 175.58 1xqq h LEU 56 N -0.53 0.45 -0.93 4.79 3.38 -1.00 -3.11 115.31 118.37 1xqq h LEU 56 Ca -0.40 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.27 1xqq h LEU 56 Cb 1.28 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.83 1xqq h LEU 56 CO 0.47 1.15 0.59 0.77 0.09 0.00 0.00 178.44 181.51 1xqq h SER 57 N 0.20 0.95 -0.80 -0.43 4.64 -1.35 -1.97 113.55 114.79 1xqq h SER 57 Ca -0.07 0.01 0.19 0.00 -0.47 0.00 0.00 61.79 61.45 1xqq h SER 57 Cb 1.53 -0.19 -0.12 0.00 -0.31 0.00 0.00 62.40 63.31 1xqq h SER 57 CO 0.15 0.62 0.23 -0.78 -0.87 0.00 0.00 176.83 176.18 1xqq h ASP 58 N 1.09 0.06 -0.12 4.97 3.58 -1.81 0.24 116.42 124.44 1xqq h ASP 58 Ca 0.39 0.16 0.00 0.00 0.42 0.00 0.00 57.03 58.00 1xqq h ASP 58 Cb 0.13 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1xqq h ASP 58 CO -0.16 -0.06 0.00 -1.22 -2.88 0.00 0.00 179.24 174.92 1xqq n TYR 59 N -5.15 0.14 -3.20 0.28 4.01 -1.13 -4.97 117.16 107.14 1xqq n TYR 59 Ca 0.17 -0.07 -0.17 0.00 -0.16 0.00 0.00 57.90 57.67 1xqq n TYR 59 Cb 0.54 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.63 1xqq n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1xqq n ASN 60 N 0.54 -5.16 -4.75 7.72 4.13 0.85 -5.01 115.26 113.58 1xqq n ASN 60 Ca 0.17 -0.36 -0.41 0.00 1.68 0.00 0.00 54.58 55.67 1xqq n ASN 60 Cb 0.41 -3.81 -0.04 0.00 -1.54 0.00 0.00 39.78 34.79 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xqq s ILE 61 N -3.19 3.54 0.00 2.41 1.01 -0.79 -4.99 121.20 119.20 1xqq s ILE 61 Ca 0.39 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1xqq s ILE 61 Cb -0.17 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1xqq s ILE 61 CO 0.48 0.32 0.00 0.00 0.00 0.00 0.00 174.94 175.74 1xqq n GLN 62 N 1.55 1.34 -1.82 2.79 6.02 -1.26 -4.50 117.38 121.50 1xqq n GLN 62 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 1xqq n GLN 62 Cb 0.45 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.73 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N -1.12 3.29 -1.32 -1.09 -2.85 -1.26 -3.89 119.74 111.48 1xqq s LYS 63 Ca 0.00 0.94 0.00 0.00 -1.00 0.00 0.00 55.97 55.91 1xqq s LYS 63 Cb 0.00 -2.04 0.00 0.00 -2.06 0.00 0.00 37.83 33.73 1xqq s LYS 63 CO 0.00 -0.82 0.00 0.39 0.10 0.00 0.00 175.35 175.02 1xqq n GLU 64 N -2.69 -0.88 -4.25 1.78 1.02 0.14 -4.98 120.64 110.78 1xqq n GLU 64 Ca 0.07 0.93 -0.33 0.00 -0.02 0.00 0.00 57.16 57.81 1xqq n GLU 64 Cb 0.54 -4.97 -0.08 0.00 -0.02 0.00 0.00 31.44 26.90 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.85 5.32 -0.20 1.62 0.15 -1.25 -4.87 113.70 111.61 1xqq s SER 65 Ca 0.00 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 56.64 1xqq s SER 65 Cb 0.00 -1.46 -0.05 0.00 -1.71 0.00 0.00 66.02 62.80 1xqq s SER 65 CO 0.00 0.31 0.12 -0.89 1.20 0.00 0.00 173.24 173.97 1xqq s THR 66 N -1.06 5.24 0.12 6.45 2.01 -1.26 -0.98 115.64 126.16 1xqq s THR 66 Ca 0.19 0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.35 1xqq s THR 66 Cb -0.12 -3.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1xqq s THR 66 CO 0.09 0.44 0.15 -0.76 -0.69 0.00 0.00 174.62 173.84 1xqq s LEU 67 N 0.44 3.95 -0.17 4.42 1.02 -0.38 -4.79 118.68 123.17 1xqq s LEU 67 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 54.13 54.22 1xqq s LEU 67 Cb -0.12 -2.57 -0.00 0.00 0.02 0.00 0.00 46.19 43.52 1xqq s LEU 67 CO -0.01 0.12 -0.14 -2.28 0.02 0.00 0.00 176.35 174.06 1xqq s HIS 68 N -1.59 2.81 -0.41 0.29 2.46 0.15 -0.46 115.29 118.54 1xqq s HIS 68 Ca 0.31 -1.04 -0.12 0.00 0.47 0.00 0.00 55.06 54.69 1xqq s HIS 68 Cb -0.11 -1.92 0.05 0.00 -0.13 0.00 0.00 32.58 30.46 1xqq s HIS 68 CO 0.24 -0.49 0.27 -1.17 -2.47 0.00 0.00 174.74 171.12 1xqq s LEU 69 N 0.92 5.07 0.25 8.88 2.96 0.08 -1.46 118.68 135.37 1xqq s LEU 69 Ca -0.03 -1.19 0.09 0.00 -0.22 0.00 0.00 54.13 52.78 1xqq s LEU 69 Cb -0.15 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1xqq s LEU 69 CO -0.01 -0.49 -0.01 0.68 -1.32 0.00 0.00 176.35 175.20 1xqq s VAL 70 N 1.55 3.46 -0.39 1.68 -7.23 -0.65 -3.88 120.40 114.94 1xqq s VAL 70 Ca 0.03 -1.83 -0.28 0.00 -1.81 0.00 0.00 61.98 58.09 1xqq s VAL 70 Cb -0.21 -2.82 0.02 0.00 0.56 0.00 0.00 36.38 33.93 1xqq s VAL 70 CO 0.06 -0.32 1.05 -0.22 -0.31 0.00 0.00 175.10 175.36 1xqq s LEU 71 N -3.50 3.85 0.38 1.32 2.96 -1.26 -0.74 118.68 121.67 1xqq s LEU 71 Ca 0.30 0.69 -0.28 0.00 -0.22 0.00 0.00 54.13 54.62 1xqq s LEU 71 Cb -0.07 -3.46 -0.11 0.00 0.50 0.00 0.00 46.19 43.05 1xqq s LEU 71 CO 0.19 -1.01 1.48 -1.14 -1.32 0.00 0.00 176.35 174.55 1xqq n ARG 72 N 7.20 2.65 -3.74 1.98 0.63 -0.06 -4.89 116.66 120.43 1xqq n ARG 72 Ca 0.11 0.93 -0.36 0.00 -0.92 0.00 0.00 57.85 57.61 1xqq n ARG 72 Cb 0.48 -2.65 -0.06 0.00 0.45 0.00 0.00 32.46 30.68 1xqq n ARG 72 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1xqq s LEU 73 N -2.01 4.39 0.63 6.15 2.96 -1.26 -4.87 118.68 124.67 1xqq s LEU 73 Ca 0.53 0.62 -0.10 0.00 -0.22 0.00 0.00 54.13 54.96 1xqq s LEU 73 Cb -0.48 -2.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.66 1xqq s LEU 73 CO 0.64 0.30 1.02 -0.13 -1.32 0.00 0.00 176.35 176.86 1xqq s ARG 74 N -1.48 3.34 0.00 1.98 0.52 -1.26 -4.42 118.95 117.64 1xqq s ARG 74 Ca 0.24 0.58 0.00 0.00 -0.52 0.00 0.00 55.73 56.03 1xqq s ARG 74 Cb -0.14 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1xqq s ARG 74 CO 0.13 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.18 1xqq n GLY 75 N -2.78 2.82 0.00 -3.53 0.00 -1.26 -5.29 105.19 95.16 1xqq n GLY 75 Ca 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93