#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 3.84 0.37 3.17 -0.21 -1.26 -1.43 119.66 124.13 1xqq s GLN 2 Ca 0.00 -0.42 0.06 0.00 0.02 0.00 0.00 55.36 55.02 1xqq s GLN 2 Cb 0.00 -3.08 -0.07 0.00 1.00 0.00 0.00 33.01 30.86 1xqq s GLN 2 CO 0.00 0.26 0.02 0.96 -2.12 0.00 0.00 175.29 174.40 1xqq s ILE 3 N 0.37 1.68 -0.01 1.08 -4.36 -1.04 -0.36 121.20 118.57 1xqq s ILE 3 Ca -0.00 -2.02 0.07 0.00 -0.26 0.00 0.00 60.65 58.44 1xqq s ILE 3 Cb -0.13 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.69 1xqq s ILE 3 CO 0.01 -0.03 -0.21 -0.36 0.24 0.00 0.00 174.94 174.59 1xqq s PHE 4 N -2.95 1.90 -0.08 1.37 0.08 0.03 -1.81 117.98 116.52 1xqq s PHE 4 Ca 0.35 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1xqq s PHE 4 Cb 0.09 -1.21 0.02 0.00 -0.57 0.00 0.00 43.02 41.35 1xqq s PHE 4 CO 0.17 -0.01 -0.09 0.08 -0.10 0.00 0.00 175.22 175.26 1xqq s VAL 5 N -0.55 0.99 -0.22 -0.44 1.01 0.30 -1.00 120.40 120.49 1xqq s VAL 5 Ca 0.08 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.63 1xqq s VAL 5 Cb -0.08 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1xqq s VAL 5 CO -0.00 0.34 0.11 -0.75 0.00 0.00 0.00 175.10 174.80 1xqq s LYS 6 N 1.09 3.96 0.00 2.72 2.20 -0.26 0.22 119.74 129.67 1xqq s LYS 6 Ca -0.07 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1xqq s LYS 6 Cb -0.14 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1xqq s LYS 6 CO -0.01 0.09 0.00 0.25 -0.36 0.00 0.00 175.35 175.32 1xqq n THR 7 N 4.14 0.00 0.14 3.43 -2.24 -0.53 -0.94 114.28 118.28 1xqq n THR 7 Ca -0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.56 1xqq n THR 7 Cb 0.52 -1.52 -0.03 0.00 -2.10 0.00 0.00 70.33 67.20 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 -0.37 -0.59 3.22 5.85 -1.91 -3.31 115.31 118.19 1xqq h LEU 8 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1xqq h LEU 8 Cb 0.00 0.10 -0.11 0.00 0.37 0.00 0.00 40.66 41.02 1xqq h LEU 8 CO 0.00 0.06 -0.12 0.74 -0.34 0.00 0.00 178.44 178.79 1xqq h THR 9 N -1.10 0.43 0.00 1.05 2.02 -1.95 -3.47 112.91 109.89 1xqq h THR 9 Ca -0.04 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1xqq h THR 9 Cb 0.34 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1xqq h THR 9 CO 0.07 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1xqq n GLY 10 N -1.40 0.25 3.21 2.16 0.00 -1.25 -5.16 105.19 103.00 1xqq n GLY 10 Ca 0.07 -0.57 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 2.00 -0.49 1.61 1.02 -1.26 -4.88 119.74 117.74 1xqq s LYS 11 Ca 0.00 -0.76 -0.15 0.00 0.02 0.00 0.00 55.97 55.08 1xqq s LYS 11 Cb 0.00 -1.79 0.09 0.00 -0.52 0.00 0.00 37.83 35.61 1xqq s LYS 11 CO 0.00 0.37 0.41 0.99 -0.92 0.00 0.00 175.35 176.20 1xqq s THR 12 N -0.23 5.17 0.14 2.17 2.01 -1.26 -1.46 115.64 122.18 1xqq s THR 12 Ca 0.01 -1.19 -0.09 0.00 0.31 0.00 0.00 61.69 60.72 1xqq s THR 12 Cb -0.11 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.19 1xqq s THR 12 CO 0.01 -0.65 0.45 0.27 -0.69 0.00 0.00 174.62 174.02 1xqq s ILE 13 N 1.62 5.04 -0.25 1.82 -4.36 0.13 -4.88 121.20 120.31 1xqq s ILE 13 Ca 0.04 0.42 -0.10 0.00 -0.26 0.00 0.00 60.65 60.75 1xqq s ILE 13 Cb -0.26 -3.65 -0.05 0.00 1.25 0.00 0.00 42.46 39.76 1xqq s ILE 13 CO 0.05 0.15 0.15 -0.89 0.24 0.00 0.00 174.94 174.64 1xqq s THR 14 N -1.56 5.18 0.16 8.37 2.01 -1.26 -0.54 115.64 127.99 1xqq s THR 14 Ca 0.39 0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.60 1xqq s THR 14 Cb -0.13 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1xqq s THR 14 CO 0.20 0.32 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.54 1xqq s LEU 15 N 1.32 2.76 -0.28 4.42 1.43 -0.75 -5.00 118.68 122.58 1xqq s LEU 15 Ca 0.07 -0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1xqq s LEU 15 Cb -0.14 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1xqq s LEU 15 CO 0.06 0.14 0.02 -1.61 0.23 0.00 0.00 176.35 175.19 1xqq s GLU 16 N -2.54 2.88 0.26 1.70 2.02 -1.26 -2.51 118.70 119.25 1xqq s GLU 16 Ca 0.21 -0.97 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1xqq s GLU 16 Cb -0.09 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1xqq s GLU 16 CO 0.12 -0.46 0.19 0.14 0.02 0.00 0.00 175.26 175.26 1xqq s VAL 17 N 1.40 0.03 0.01 2.63 -7.23 -0.52 -4.93 120.40 111.79 1xqq s VAL 17 Ca 0.00 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.25 1xqq s VAL 17 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 1xqq s VAL 17 CO -0.01 0.00 -0.22 -1.61 -0.31 0.00 0.00 175.10 172.95 1xqq s GLU 18 N -3.87 1.67 0.00 4.82 2.02 -1.26 0.35 118.70 122.43 1xqq s GLU 18 Ca 0.39 -0.88 0.13 0.00 0.02 0.00 0.00 54.97 54.63 1xqq s GLU 18 Cb 0.05 -1.70 0.57 0.00 0.10 0.00 0.00 34.13 33.16 1xqq s GLU 18 CO 0.18 0.45 1.40 -0.35 0.02 0.00 0.00 175.26 176.96 1xqq n PRO 19 N 2.21 0.04 0.17 0.39 -0.04 -1.26 -2.13 135.00 134.38 1xqq n PRO 19 Ca -0.16 0.25 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1xqq n PRO 19 Cb 0.53 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1xqq n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xqq h SER 20 N 0.00 0.00 -3.96 3.54 0.02 -1.96 0.49 113.55 111.68 1xqq h SER 20 Ca 0.00 -0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1xqq h SER 20 Cb 0.20 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.80 1xqq h SER 20 CO 0.00 0.00 0.50 -1.81 -1.14 0.00 0.00 176.83 174.39 1xqq s ASP 21 N -5.85 6.38 0.79 3.07 1.01 -0.90 -4.78 116.67 116.39 1xqq s ASP 21 Ca 0.04 2.35 -0.10 0.00 0.71 0.00 0.00 52.55 55.56 1xqq s ASP 21 Cb 0.07 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.49 1xqq s ASP 21 CO 0.71 -0.78 1.14 0.42 0.21 0.00 0.00 175.17 176.87 1xqq s THR 22 N -1.45 2.11 0.21 -1.27 -4.23 -1.26 -2.33 115.64 107.41 1xqq s THR 22 Ca 0.59 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.87 1xqq s THR 22 Cb -0.30 -2.97 0.15 0.00 1.34 0.00 0.00 72.50 70.71 1xqq s THR 22 CO 0.38 0.00 1.84 0.40 -0.54 0.00 0.00 174.62 176.70 1xqq h ILE 23 N -0.97 1.22 -0.50 2.99 1.08 -0.98 -2.52 117.51 117.83 1xqq h ILE 23 Ca -0.44 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 63.56 1xqq h ILE 23 Cb 1.30 0.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 1xqq h ILE 23 CO 0.57 0.23 -0.29 1.21 -0.69 0.00 0.00 178.15 179.18 1xqq n GLU 24 N -4.48 -0.22 -0.35 2.37 2.13 -0.51 -1.27 120.64 118.31 1xqq n GLU 24 Ca 0.07 0.83 0.14 0.00 0.66 0.00 0.00 57.16 58.86 1xqq n GLU 24 Cb 0.07 -1.23 0.34 0.00 0.27 0.00 0.00 31.44 30.90 1xqq n GLU 24 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1xqq h ASN 25 N 0.00 0.75 -0.29 4.31 -0.73 -1.75 -0.94 115.58 116.93 1xqq h ASN 25 Ca 0.08 0.10 -0.09 0.00 1.87 0.00 0.00 56.30 58.26 1xqq h ASN 25 Cb 0.20 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1xqq h ASN 25 CO -0.47 0.25 -0.16 0.58 -0.37 0.00 0.00 177.43 177.26 1xqq h VAL 26 N 0.72 1.30 -0.41 2.57 2.07 -1.05 -0.15 116.25 121.29 1xqq h VAL 26 Ca 0.58 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1xqq h VAL 26 Cb 0.97 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1xqq h VAL 26 CO -0.38 0.40 0.14 0.11 0.02 0.00 0.00 177.57 177.87 1xqq h LYS 27 N 0.36 0.58 -0.03 1.57 1.57 -0.72 -1.96 116.57 117.95 1xqq h LYS 27 Ca 0.06 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.58 1xqq h LYS 27 Cb 0.68 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1xqq h LYS 27 CO 0.05 0.50 -0.76 0.00 -0.57 0.00 0.00 179.45 178.66 1xqq h ALA 28 N 1.59 0.65 0.00 3.86 0.00 -0.83 -1.92 119.26 122.61 1xqq h ALA 28 Ca 0.14 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.36 1xqq h ALA 28 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1xqq h ALA 28 CO -0.01 0.83 -0.22 0.87 0.00 0.00 0.00 179.25 180.72 1xqq h LYS 29 N 0.14 0.00 -0.32 0.00 1.57 -0.77 -1.91 116.57 115.28 1xqq h LYS 29 Ca -0.03 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1xqq h LYS 29 Cb 1.34 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1xqq h LYS 29 CO 0.12 0.22 -0.26 0.82 -0.57 0.00 0.00 179.45 179.77 1xqq h ILE 30 N 0.00 1.27 -0.73 1.86 2.04 -0.82 -1.25 117.51 119.88 1xqq h ILE 30 Ca -0.00 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 1xqq h ILE 30 Cb 0.40 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1xqq h ILE 30 CO 0.03 0.44 0.43 -0.61 0.00 0.00 0.00 178.15 178.44 1xqq h GLN 31 N 0.57 1.01 0.15 2.37 4.15 -1.02 0.12 115.11 122.45 1xqq h GLN 31 Ca 0.08 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1xqq h GLN 31 Cb 0.75 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1xqq h GLN 31 CO 0.06 0.73 -0.07 0.22 -1.93 0.00 0.00 178.83 177.84 1xqq h ASP 32 N 1.01 -0.17 0.50 -0.69 1.82 -1.18 -0.32 116.42 117.40 1xqq h ASP 32 Ca 0.26 -0.36 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 1xqq h ASP 32 Cb -0.01 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.04 1xqq h ASP 32 CO -0.05 0.33 -0.36 0.50 -1.61 0.00 0.00 179.24 178.05 1xqq h LYS 33 N -0.73 -0.80 0.08 0.28 1.63 -1.30 -3.39 116.57 112.35 1xqq h LYS 33 Ca -0.02 0.05 -0.36 0.00 -0.85 0.00 0.00 60.65 59.48 1xqq h LYS 33 Cb 0.52 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 1xqq h LYS 33 CO 0.03 -0.53 -2.00 0.39 -3.45 0.00 0.00 179.45 173.89 1xqq n GLU 34 N -4.65 0.71 -0.15 1.90 -0.58 0.40 -5.02 120.64 113.25 1xqq n GLU 34 Ca -0.10 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1xqq n GLU 34 Cb 0.36 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1xqq n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xqq n GLY 35 N 1.93 0.66 3.32 0.62 0.00 -0.13 -5.02 105.19 106.57 1xqq n GLY 35 Ca -0.35 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.45 3.70 0.60 -0.61 1.01 -1.26 -5.01 121.20 118.18 1xqq s ILE 36 Ca 0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.80 1xqq s ILE 36 Cb 0.00 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1xqq s ILE 36 CO 0.00 0.19 1.26 -2.84 0.00 0.00 0.00 174.94 173.55 1xqq s PRO 37 N 1.48 2.89 0.34 2.79 0.02 -1.26 -3.88 135.00 137.37 1xqq s PRO 37 Ca 0.03 1.97 0.18 0.00 0.02 0.00 0.00 61.00 63.20 1xqq s PRO 37 Cb -0.16 -1.97 0.40 0.00 0.02 0.00 0.00 34.50 32.79 1xqq s PRO 37 CO 0.00 -1.31 1.60 -1.00 -0.33 0.00 0.00 177.00 175.96 1xqq h PRO 38 N 0.91 0.00 0.00 5.54 0.13 -1.96 -3.19 132.00 133.43 1xqq h PRO 38 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 1xqq h PRO 38 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1xqq h PRO 38 CO 0.55 0.39 -0.21 0.38 -0.23 0.00 0.00 178.00 178.88 1xqq h ASP 39 N 0.00 0.00 -0.26 1.44 2.03 -1.97 -2.17 116.42 115.49 1xqq h ASP 39 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 1.12 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1xqq h ASP 39 CO 0.05 0.21 0.00 0.00 -1.03 0.00 0.00 179.24 178.47 1xqq n GLN 40 N -3.20 2.28 -3.07 4.15 10.64 -1.20 -4.73 117.38 122.25 1xqq n GLN 40 Ca 0.02 -1.92 -0.39 0.00 -1.83 0.00 0.00 57.00 52.88 1xqq n GLN 40 Cb 0.55 -1.48 -0.05 0.00 -0.86 0.00 0.00 30.24 28.40 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1xqq s GLN 41 N -1.67 4.42 -0.10 2.61 -0.21 -0.82 -0.37 119.66 123.53 1xqq s GLN 41 Ca 0.35 0.94 0.01 0.00 0.02 0.00 0.00 55.36 56.68 1xqq s GLN 41 Cb 0.21 -3.35 0.02 0.00 1.00 0.00 0.00 33.01 30.89 1xqq s GLN 41 CO 0.30 0.34 -0.12 0.50 -2.12 0.00 0.00 175.29 174.19 1xqq s ARG 42 N -0.19 1.87 0.01 2.91 3.52 -0.64 -4.62 118.95 121.81 1xqq s ARG 42 Ca 0.35 -0.43 -0.22 0.00 -0.13 0.00 0.00 55.73 55.31 1xqq s ARG 42 Cb -0.20 -1.65 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 1xqq s ARG 42 CO 0.21 -0.09 0.64 -0.51 -0.81 0.00 0.00 175.30 174.73 1xqq s LEU 43 N 1.08 4.43 0.08 -0.88 1.43 -1.26 -0.29 118.68 123.26 1xqq s LEU 43 Ca -0.06 1.23 0.10 0.00 -1.03 0.00 0.00 54.13 54.37 1xqq s LEU 43 Cb -0.15 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 1xqq s LEU 43 CO -0.02 0.09 -0.26 -0.63 0.23 0.00 0.00 176.35 175.75 1xqq s ILE 44 N -0.18 2.16 -0.12 -0.59 -1.09 0.80 -1.44 121.20 120.74 1xqq s ILE 44 Ca 0.33 -1.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.22 1xqq s ILE 44 Cb -0.19 -1.88 0.01 0.00 -1.58 0.00 0.00 42.46 38.82 1xqq s ILE 44 CO 0.19 0.23 -0.19 0.12 -1.23 0.00 0.00 174.94 174.06 1xqq s PHE 45 N -0.92 2.33 0.00 3.97 5.36 -1.00 -0.47 117.98 127.24 1xqq s PHE 45 Ca 0.12 -1.11 0.00 0.00 -0.96 0.00 0.00 56.93 54.98 1xqq s PHE 45 Cb -0.10 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 1xqq s PHE 45 CO 0.04 -0.52 0.00 0.00 -1.46 0.00 0.00 175.22 173.27 1xqq n ALA 46 N 4.05 0.00 -2.07 11.12 0.00 -1.26 -1.24 120.51 131.11 1xqq n ALA 46 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 1xqq n ALA 46 Cb 0.52 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.73 3.64 0.00 0.00 -1.26 -5.04 105.19 103.26 1xqq n GLY 47 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 4.17 0.00 1.61 1.02 -0.38 -5.08 119.74 121.09 1xqq s LYS 48 Ca 0.05 0.76 -0.30 0.00 0.02 0.00 0.00 55.97 56.50 1xqq s LYS 48 Cb 0.06 -3.63 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1xqq s LYS 48 CO -0.02 -0.43 1.04 -0.65 -0.92 0.00 0.00 175.35 174.37 1xqq s GLN 49 N 2.54 4.51 -0.20 1.68 -0.21 -1.26 -2.39 119.66 124.33 1xqq s GLN 49 Ca 0.31 1.51 -0.05 0.00 0.02 0.00 0.00 55.36 57.15 1xqq s GLN 49 Cb -0.16 -3.45 -0.02 0.00 1.00 0.00 0.00 33.01 30.38 1xqq s GLN 49 CO 0.08 -0.14 0.00 -0.51 -2.12 0.00 0.00 175.29 172.60 1xqq s LEU 50 N 1.18 3.28 -0.02 2.90 1.43 -0.52 -5.01 118.68 121.92 1xqq s LEU 50 Ca 0.53 -0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.29 1xqq s LEU 50 Cb -0.23 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1xqq s LEU 50 CO 0.27 0.07 0.41 -1.61 0.23 0.00 0.00 176.35 175.72 1xqq s GLU 51 N 0.98 3.98 0.31 1.70 2.02 -1.26 -4.62 118.70 121.80 1xqq s GLU 51 Ca 0.02 0.40 0.06 0.00 0.02 0.00 0.00 54.97 55.47 1xqq s GLU 51 Cb -0.14 -3.25 0.85 0.00 0.10 0.00 0.00 34.13 31.68 1xqq s GLU 51 CO 0.02 0.62 1.63 -0.44 0.02 0.00 0.00 175.26 177.10 1xqq h ASP 52 N 4.99 0.02 -0.47 -0.19 5.19 -1.97 -3.02 116.42 120.96 1xqq h ASP 52 Ca -0.50 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1xqq h ASP 52 Cb 1.21 0.29 0.00 0.00 0.18 0.00 0.00 39.33 41.02 1xqq h ASP 52 CO 0.63 -0.23 0.00 0.61 -3.12 0.00 0.00 179.24 177.14 1xqq n GLY 53 N -1.37 3.27 3.89 2.75 0.00 -1.26 -1.42 105.19 111.04 1xqq n GLY 53 Ca 0.25 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.44 3.63 0.44 1.61 1.81 -1.14 -4.94 118.95 117.92 1xqq s ARG 54 Ca 0.48 -0.05 -0.23 0.00 -1.72 0.00 0.00 55.73 54.20 1xqq s ARG 54 Cb 0.35 -2.87 -0.08 0.00 -0.45 0.00 0.00 34.95 31.90 1xqq s ARG 54 CO 0.16 0.48 1.13 0.95 -0.68 0.00 0.00 175.30 177.34 1xqq s THR 55 N -1.62 3.31 0.20 0.02 -4.23 -1.26 -1.49 115.64 110.57 1xqq s THR 55 Ca 0.40 0.98 -0.13 0.00 -1.18 0.00 0.00 61.69 61.75 1xqq s THR 55 Cb -0.12 -3.49 0.19 0.00 1.34 0.00 0.00 72.50 70.41 1xqq s THR 55 CO 0.23 -0.02 1.65 -0.07 -0.54 0.00 0.00 174.62 175.87 1xqq h LEU 56 N 2.14 -0.42 -1.48 4.79 3.38 -1.45 -1.87 115.31 120.40 1xqq h LEU 56 Ca -0.49 0.16 0.26 0.00 0.09 0.00 0.00 57.88 57.90 1xqq h LEU 56 Cb 1.24 0.31 -0.08 0.00 0.09 0.00 0.00 40.66 42.22 1xqq h LEU 56 CO 0.61 -0.16 0.68 0.77 0.09 0.00 0.00 178.44 180.42 1xqq h SER 57 N 0.04 0.38 1.12 -0.43 4.64 -1.12 0.15 113.55 118.32 1xqq h SER 57 Ca 0.28 0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.55 1xqq h SER 57 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1xqq h SER 57 CO -0.55 0.09 -0.57 -0.78 -0.87 0.00 0.00 176.83 174.15 1xqq h ASP 58 N 0.34 0.00 -0.05 4.97 3.58 -1.64 -2.18 116.42 121.44 1xqq h ASP 58 Ca 0.56 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.01 1xqq h ASP 58 Cb 1.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.58 1xqq h ASP 58 CO -0.24 0.57 0.00 -1.22 -2.88 0.00 0.00 179.24 175.47 1xqq n TYR 59 N -3.39 0.06 -2.29 0.28 4.01 -0.99 -4.95 117.16 109.89 1xqq n TYR 59 Ca 0.01 -0.03 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1xqq n TYR 59 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 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 -0.05 -2.97 -4.62 7.72 3.02 -0.77 -5.00 115.26 112.60 1xqq n ASN 60 Ca 0.19 -0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.28 1xqq n ASN 60 Cb 0.29 -2.14 -0.06 0.00 -0.61 0.00 0.00 39.78 37.26 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xqq s ILE 61 N -2.53 4.93 0.46 2.41 -1.09 0.45 -4.98 121.20 120.86 1xqq s ILE 61 Ca 0.04 1.08 0.07 0.00 -2.23 0.00 0.00 60.65 59.62 1xqq s ILE 61 Cb -0.02 -4.00 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 1xqq s ILE 61 CO 0.05 -0.07 0.44 -1.10 -1.23 0.00 0.00 174.94 173.03 1xqq s GLN 62 N 2.62 2.47 0.79 2.79 -0.21 -1.26 -4.51 119.66 122.35 1xqq s GLN 62 Ca 0.27 -1.63 -0.11 0.00 0.02 0.00 0.00 55.36 53.92 1xqq s GLN 62 Cb -0.15 -2.37 0.06 0.00 1.00 0.00 0.00 33.01 31.55 1xqq s GLN 62 CO 0.10 -0.36 1.09 -1.59 -2.12 0.00 0.00 175.29 172.41 1xqq s LYS 63 N -4.24 2.15 0.00 2.91 -2.85 -1.26 -2.95 119.74 113.51 1xqq s LYS 63 Ca 0.47 1.09 0.00 0.00 -1.00 0.00 0.00 55.97 56.53 1xqq s LYS 63 Cb -0.04 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 1xqq s LYS 63 CO 0.28 -1.69 0.00 0.39 0.10 0.00 0.00 175.35 174.43 1xqq n GLU 64 N -3.55 -1.30 -2.22 1.78 1.02 0.52 -5.00 120.64 111.90 1xqq n GLU 64 Ca 0.09 0.33 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 1xqq n GLU 64 Cb 0.53 -4.39 -0.03 0.00 -0.02 0.00 0.00 31.44 27.54 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 -2.03 6.90 -0.21 1.62 0.01 -1.15 -4.77 113.70 114.07 1xqq s SER 65 Ca 0.00 2.43 -0.04 0.00 1.31 0.00 0.00 55.95 59.65 1xqq s SER 65 Cb 0.00 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -0.51 -0.03 -0.89 0.41 0.00 0.00 173.24 172.21 1xqq s THR 66 N -0.07 3.54 0.33 1.44 2.01 -1.26 -0.79 115.64 120.84 1xqq s THR 66 Ca 0.55 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.18 1xqq s THR 66 Cb -0.37 -2.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1xqq s THR 66 CO 0.40 0.43 0.34 -0.76 -0.69 0.00 0.00 174.62 174.34 1xqq s LEU 67 N 1.27 3.72 -0.08 4.42 1.02 -0.17 -4.67 118.68 124.19 1xqq s LEU 67 Ca 0.03 -0.39 0.04 0.00 0.02 0.00 0.00 54.13 53.83 1xqq s LEU 67 Cb -0.14 -2.38 0.00 0.00 0.02 0.00 0.00 46.19 43.69 1xqq s LEU 67 CO -0.01 -0.36 -0.19 -1.00 0.02 0.00 0.00 176.35 174.80 1xqq s HIS 68 N -2.26 2.11 0.04 0.29 3.76 0.38 -1.10 115.29 118.51 1xqq s HIS 68 Ca 0.42 -0.82 -0.25 0.00 -0.15 0.00 0.00 55.06 54.26 1xqq s HIS 68 Cb -0.07 -1.44 -0.05 0.00 1.11 0.00 0.00 32.58 32.12 1xqq s HIS 68 CO 0.28 -0.34 0.77 -1.17 -0.85 0.00 0.00 174.74 173.42 1xqq s LEU 69 N 0.41 4.44 0.32 0.89 2.96 -0.11 -0.14 118.68 127.45 1xqq s LEU 69 Ca -0.16 1.44 0.09 0.00 -0.22 0.00 0.00 54.13 55.28 1xqq s LEU 69 Cb -0.17 -3.23 -0.06 0.00 0.50 0.00 0.00 46.19 43.23 1xqq s LEU 69 CO 0.06 0.00 -0.09 0.68 -1.32 0.00 0.00 176.35 175.68 1xqq s VAL 70 N 0.02 2.09 -0.11 1.68 -7.23 0.60 -4.43 120.40 113.02 1xqq s VAL 70 Ca 0.39 -2.19 -0.15 0.00 -1.81 0.00 0.00 61.98 58.21 1xqq s VAL 70 Cb -0.20 -2.58 -0.05 0.00 0.56 0.00 0.00 36.38 34.11 1xqq s VAL 70 CO 0.23 -0.24 0.37 -0.22 -0.31 0.00 0.00 175.10 174.93 1xqq s LEU 71 N -3.56 4.31 -0.14 1.32 2.96 -1.26 -1.62 118.68 120.69 1xqq s LEU 71 Ca 0.32 0.71 -0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1xqq s LEU 71 Cb 0.02 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1xqq s LEU 71 CO 0.15 0.13 0.11 -0.60 -1.32 0.00 0.00 176.35 174.82 1xqq s ARG 72 N 0.13 3.56 0.00 1.98 3.52 0.51 -4.76 118.95 123.88 1xqq s ARG 72 Ca 0.21 -0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 1xqq s ARG 72 Cb -0.14 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1xqq s ARG 72 CO 0.08 0.63 0.00 1.28 -0.81 0.00 0.00 175.30 176.48 1xqq n LEU 73 N 2.43 0.00 -4.71 -0.88 4.77 -1.26 -4.35 117.00 113.00 1xqq n LEU 73 Ca -0.19 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.44 1xqq n LEU 73 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1xqq n LEU 73 CO 0.32 0.00 -0.15 -0.13 -1.33 0.00 0.00 177.39 176.10 1xqq s ARG 74 N 1.60 4.17 0.00 3.23 1.81 -1.26 -4.61 118.95 123.89 1xqq s ARG 74 Ca 0.00 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.83 1xqq s ARG 74 Cb 0.00 -3.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.05 1xqq s ARG 74 CO 0.00 0.23 0.00 0.41 -0.68 0.00 0.00 175.30 175.26 1xqq n GLY 75 N 3.69 0.10 0.00 -3.53 0.00 -1.26 -5.31 105.19 98.89 1xqq n GLY 75 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93