#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 3.74 0.26 3.17 -0.21 -1.26 -0.88 119.66 124.48 1xqq s GLN 2 Ca 0.00 0.14 0.03 0.00 0.02 0.00 0.00 55.36 55.55 1xqq s GLN 2 Cb 0.00 -2.97 -0.05 0.00 1.00 0.00 0.00 33.01 30.99 1xqq s GLN 2 CO 0.00 0.54 0.03 0.96 -2.12 0.00 0.00 175.29 174.70 1xqq s ILE 3 N -1.45 1.00 -0.03 1.08 -4.36 -0.91 0.78 121.20 117.31 1xqq s ILE 3 Ca 0.34 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.76 1xqq s ILE 3 Cb -0.14 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 1xqq s ILE 3 CO 0.19 -0.18 -0.16 -0.36 0.24 0.00 0.00 174.94 174.66 1xqq s PHE 4 N -3.44 1.58 -0.12 1.37 0.08 0.23 -2.85 117.98 114.82 1xqq s PHE 4 Ca 0.32 -0.39 -0.03 0.00 0.12 0.00 0.00 56.93 56.95 1xqq s PHE 4 Cb 0.07 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.43 1xqq s PHE 4 CO 0.11 -0.11 0.01 0.08 -0.10 0.00 0.00 175.22 175.21 1xqq s VAL 5 N -0.12 4.31 -0.02 -0.44 1.01 -0.70 0.50 120.40 124.95 1xqq s VAL 5 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1xqq s VAL 5 Cb -0.09 -2.86 0.01 0.00 0.00 0.00 0.00 36.38 33.43 1xqq s VAL 5 CO 0.01 0.55 -0.05 -0.54 0.00 0.00 0.00 175.10 175.07 1xqq s LYS 6 N -0.32 0.57 0.91 2.72 1.02 -0.34 -1.08 119.74 123.23 1xqq s LYS 6 Ca 0.07 -0.14 -0.14 0.00 0.02 0.00 0.00 55.97 55.78 1xqq s LYS 6 Cb -0.12 -0.59 0.15 0.00 -0.52 0.00 0.00 37.83 36.75 1xqq s LYS 6 CO 0.02 0.03 1.21 0.95 -0.92 0.00 0.00 175.35 176.64 1xqq s THR 7 N 0.34 1.97 0.21 2.17 -4.23 -1.09 0.00 115.64 115.00 1xqq s THR 7 Ca -0.04 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.61 1xqq s THR 7 Cb -0.08 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.91 1xqq s THR 7 CO -0.00 0.00 1.65 -0.07 -0.54 0.00 0.00 174.62 175.66 1xqq h LEU 8 N -1.47 0.00 -0.20 4.79 3.38 -1.95 -2.17 115.31 117.68 1xqq h LEU 8 Ca -0.47 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.28 1xqq h LEU 8 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1xqq h LEU 8 CO 0.54 0.52 -0.89 0.71 0.09 0.00 0.00 178.44 179.41 1xqq h THR 9 N 0.00 1.37 0.00 0.22 1.35 -1.94 -3.48 112.91 110.43 1xqq h THR 9 Ca -0.01 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.55 1xqq h THR 9 Cb 1.04 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 1xqq h THR 9 CO 0.07 0.70 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1xqq n GLY 10 N 0.85 0.79 3.59 5.82 0.00 -0.82 -5.13 105.19 110.30 1xqq n GLY 10 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 3.79 -0.36 1.61 2.20 -1.26 -4.77 119.74 120.94 1xqq s LYS 11 Ca 0.00 0.27 -0.19 0.00 -0.36 0.00 0.00 55.97 55.68 1xqq s LYS 11 Cb 0.00 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1xqq s LYS 11 CO 0.00 -0.73 0.58 0.99 -0.36 0.00 0.00 175.35 175.83 1xqq s THR 12 N 2.85 4.94 -0.46 3.43 2.01 -1.26 -2.69 115.64 124.47 1xqq s THR 12 Ca 0.28 0.42 -0.11 0.00 0.31 0.00 0.00 61.69 62.60 1xqq s THR 12 Cb -0.14 -4.04 0.10 0.00 0.01 0.00 0.00 72.50 68.42 1xqq s THR 12 CO 0.14 -0.30 0.33 -0.63 -0.69 0.00 0.00 174.62 173.47 1xqq s ILE 13 N 2.58 4.47 -0.34 1.82 1.01 -0.24 -4.95 121.20 125.55 1xqq s ILE 13 Ca 0.22 -1.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.15 1xqq s ILE 13 Cb -0.15 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.52 1xqq s ILE 13 CO 0.15 -0.64 0.77 -0.89 0.00 0.00 0.00 174.94 174.32 1xqq s THR 14 N 1.45 4.77 0.13 2.92 2.01 -1.26 -1.72 115.64 123.94 1xqq s THR 14 Ca 0.04 0.97 0.09 0.00 0.31 0.00 0.00 61.69 63.10 1xqq s THR 14 Cb -0.25 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1xqq s THR 14 CO 0.02 -0.35 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.62 1xqq s LEU 15 N 3.01 2.34 -0.02 4.42 1.43 -1.13 -5.02 118.68 123.71 1xqq s LEU 15 Ca 0.31 -0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1xqq s LEU 15 Cb -0.14 -0.94 -0.05 0.00 0.03 0.00 0.00 46.19 45.09 1xqq s LEU 15 CO 0.15 0.06 0.40 -1.61 0.23 0.00 0.00 176.35 175.58 1xqq s GLU 16 N -2.18 3.96 0.10 1.70 2.02 -1.26 -2.14 118.70 120.90 1xqq s GLU 16 Ca 0.11 0.38 -0.06 0.00 0.02 0.00 0.00 54.97 55.42 1xqq s GLU 16 Cb -0.09 -3.25 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 1xqq s GLU 16 CO 0.05 0.62 0.14 0.14 0.02 0.00 0.00 175.26 176.24 1xqq s VAL 17 N -0.84 0.14 0.35 2.63 -7.23 -0.06 -4.96 120.40 110.43 1xqq s VAL 17 Ca 0.23 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 59.05 1xqq s VAL 17 Cb -0.16 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1xqq s VAL 17 CO 0.12 -0.65 0.39 -1.61 -0.31 0.00 0.00 175.10 173.05 1xqq s GLU 18 N -3.91 2.88 0.00 4.82 0.41 -1.26 0.44 118.70 122.08 1xqq s GLU 18 Ca 0.09 -1.19 0.28 0.00 -0.41 0.00 0.00 54.97 53.75 1xqq s GLU 18 Cb 0.06 -2.63 1.23 0.00 -1.78 0.00 0.00 34.13 31.00 1xqq s GLU 18 CO -0.08 0.04 1.91 -0.35 -0.49 0.00 0.00 175.26 176.29 1xqq n PRO 19 N -1.53 0.03 0.16 0.39 -0.04 -1.26 -1.20 135.00 131.55 1xqq n PRO 19 Ca -0.00 0.01 0.12 0.00 -0.04 0.00 0.00 63.50 63.59 1xqq n PRO 19 Cb 0.59 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.69 1xqq n PRO 19 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1xqq h SER 20 N 0.00 0.00 -4.10 3.54 4.64 -1.99 -3.00 113.55 112.63 1xqq h SER 20 Ca 0.00 -0.02 -0.55 0.00 -0.47 0.00 0.00 61.79 60.75 1xqq h SER 20 Cb 0.47 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.71 1xqq h SER 20 CO 0.00 0.01 0.51 -1.81 -0.87 0.00 0.00 176.83 174.67 1xqq s ASP 21 N -5.58 4.74 0.94 4.97 1.01 -0.34 -4.94 116.67 117.47 1xqq s ASP 21 Ca 0.05 2.59 -0.15 0.00 0.71 0.00 0.00 52.55 55.75 1xqq s ASP 21 Cb 0.08 -2.62 0.17 0.00 1.01 0.00 0.00 42.92 41.56 1xqq s ASP 21 CO 0.71 -1.91 1.24 0.42 0.21 0.00 0.00 175.17 175.83 1xqq s THR 22 N -1.42 1.96 -0.38 -1.27 -4.23 -1.26 -3.59 115.64 105.44 1xqq s THR 22 Ca 0.81 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 61.55 1xqq s THR 22 Cb -0.36 -2.91 -0.11 0.00 1.34 0.00 0.00 72.50 70.46 1xqq s THR 22 CO 0.39 0.00 0.94 -0.38 -0.54 0.00 0.00 174.62 175.03 1xqq n ILE 23 N -3.76 0.30 -0.05 2.99 5.41 -0.50 -3.30 119.36 120.45 1xqq n ILE 23 Ca 0.12 -0.40 -0.16 0.00 1.00 0.00 0.00 62.75 63.31 1xqq n ILE 23 Cb 0.60 -0.03 -0.06 0.00 -0.71 0.00 0.00 39.64 39.44 1xqq n ILE 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xqq h GLU 24 N 0.00 0.80 -0.44 0.38 4.81 -1.39 -2.90 114.58 115.83 1xqq h GLU 24 Ca 0.00 -0.58 0.09 0.00 -0.13 0.00 0.00 59.36 58.74 1xqq h GLU 24 Cb 0.87 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.27 1xqq h GLU 24 CO 0.00 1.20 -0.09 -0.97 -0.73 0.00 0.00 179.01 178.42 1xqq h ASN 25 N 0.54 -0.38 0.06 1.04 -0.73 -1.83 0.41 115.58 114.69 1xqq h ASN 25 Ca -0.02 0.13 0.02 0.00 1.87 0.00 0.00 56.30 58.29 1xqq h ASN 25 Cb 1.26 0.26 -0.02 0.00 0.27 0.00 0.00 38.32 40.09 1xqq h ASN 25 CO 0.14 -0.13 -0.14 0.58 -0.37 0.00 0.00 177.43 177.50 1xqq h VAL 26 N 0.01 0.67 0.00 2.57 2.07 -1.54 -2.66 116.25 117.37 1xqq h VAL 26 Ca 0.21 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 1xqq h VAL 26 Cb 0.32 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1xqq h VAL 26 CO -0.44 0.00 -0.27 0.11 0.02 0.00 0.00 177.57 176.99 1xqq h LYS 27 N -0.26 0.00 0.00 1.57 1.57 -1.21 -2.08 116.57 116.16 1xqq h LYS 27 Ca 0.03 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 1xqq h LYS 27 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1xqq h LYS 27 CO -0.10 0.27 -0.43 0.00 -0.57 0.00 0.00 179.45 178.63 1xqq h ALA 28 N 1.73 1.02 0.00 3.86 0.00 0.14 -2.16 119.26 123.85 1xqq h ALA 28 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xqq h ALA 28 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xqq h ALA 28 CO 0.04 0.53 0.00 0.87 0.00 0.00 0.00 179.25 180.69 1xqq h LYS 29 N 0.00 0.00 0.00 0.00 1.57 -1.09 -2.64 116.57 114.41 1xqq h LYS 29 Ca -0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1xqq h LYS 29 Cb 0.92 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 1xqq h LYS 29 CO 0.06 0.00 -0.61 0.82 -0.57 0.00 0.00 179.45 179.14 1xqq h ILE 30 N 0.00 1.24 -0.83 1.86 2.04 -1.27 0.66 117.51 121.21 1xqq h ILE 30 Ca 0.00 -2.26 0.14 0.00 1.00 0.00 0.00 64.86 63.74 1xqq h ILE 30 Cb 0.58 2.29 -0.09 0.00 -0.74 0.00 0.00 36.82 38.86 1xqq h ILE 30 CO 0.00 0.60 0.42 -0.61 0.00 0.00 0.00 178.15 178.56 1xqq h GLN 31 N 0.00 0.59 0.01 2.37 4.15 -1.05 -1.42 115.11 119.76 1xqq h GLN 31 Ca -0.01 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 1xqq h GLN 31 Cb 1.24 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1xqq h GLN 31 CO 0.08 0.39 -0.13 -0.44 -1.93 0.00 0.00 178.83 176.80 1xqq h ASP 32 N 0.60 0.09 0.02 -0.69 3.32 -1.28 -3.21 116.42 115.26 1xqq h ASP 32 Ca 0.45 -0.90 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1xqq h ASP 32 Cb 0.63 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1xqq h ASP 32 CO -0.36 0.98 -0.01 0.11 -1.72 0.00 0.00 179.24 178.24 1xqq h LYS 33 N -0.79 -0.02 -0.05 3.56 1.57 -0.90 -3.40 116.57 116.53 1xqq h LYS 33 Ca -0.02 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 1xqq h LYS 33 Cb 1.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.33 1xqq h LYS 33 CO 0.02 0.10 -0.53 0.93 -0.57 0.00 0.00 179.45 179.40 1xqq h GLU 34 N -1.00 0.45 -1.83 3.15 4.39 -1.52 -3.49 114.58 114.74 1xqq h GLU 34 Ca -0.00 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1xqq h GLU 34 Cb 0.14 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1xqq h GLU 34 CO 0.00 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.33 1xqq n GLY 35 N 0.87 0.64 3.16 -3.84 0.00 -0.72 -5.03 105.19 100.27 1xqq n GLY 35 Ca -0.09 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.62 2.36 0.61 -0.61 1.01 -1.20 -4.99 121.20 115.76 1xqq s ILE 36 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 1xqq s ILE 36 Cb 0.00 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 1xqq s ILE 36 CO 0.00 0.51 1.07 -2.84 0.00 0.00 0.00 174.94 173.69 1xqq s PRO 37 N 1.32 3.19 0.42 2.79 0.02 -1.26 -3.03 135.00 138.45 1xqq s PRO 37 Ca 0.05 1.28 0.29 0.00 0.02 0.00 0.00 61.00 62.63 1xqq s PRO 37 Cb -0.13 -2.01 1.47 0.00 0.02 0.00 0.00 34.50 33.85 1xqq s PRO 37 CO -0.11 -0.92 1.87 -1.35 -0.33 0.00 0.00 177.00 176.16 1xqq h PRO 38 N 0.38 0.00 0.00 5.54 0.11 -1.93 -2.73 132.00 133.38 1xqq h PRO 38 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 1xqq h PRO 38 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1xqq h PRO 38 CO 0.57 0.00 -0.85 0.22 -0.21 0.00 0.00 178.00 177.73 1xqq h ASP 39 N 0.00 0.12 1.66 -2.05 3.58 -1.97 -2.32 116.42 115.44 1xqq h ASP 39 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1xqq h ASP 39 Cb 0.10 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.11 1xqq h ASP 39 CO 0.00 0.91 0.00 1.56 -2.88 0.00 0.00 179.24 178.83 1xqq h GLN 40 N 0.05 0.00 -6.05 0.28 4.20 -1.86 -3.46 115.11 108.27 1xqq h GLN 40 Ca -0.03 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.11 1xqq h GLN 40 Cb 1.48 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.20 1xqq h GLN 40 CO 0.12 0.00 0.57 -0.65 -0.67 0.00 0.00 178.83 178.20 1xqq s GLN 41 N -3.23 4.30 -0.22 1.46 -0.21 -0.88 -0.69 119.66 120.20 1xqq s GLN 41 Ca 0.07 1.21 -0.04 0.00 0.02 0.00 0.00 55.36 56.62 1xqq s GLN 41 Cb 0.08 -3.59 -0.01 0.00 1.00 0.00 0.00 33.01 30.48 1xqq s GLN 41 CO 0.62 -0.44 -0.03 1.03 -2.12 0.00 0.00 175.29 174.35 1xqq s ARG 42 N 2.51 3.42 -0.47 2.91 0.52 0.04 -4.96 118.95 122.93 1xqq s ARG 42 Ca 0.42 -0.61 -0.18 0.00 -0.52 0.00 0.00 55.73 54.85 1xqq s ARG 42 Cb -0.16 -3.02 0.05 0.00 0.52 0.00 0.00 34.95 32.33 1xqq s ARG 42 CO 0.11 -0.16 0.51 -0.51 0.02 0.00 0.00 175.30 175.27 1xqq s LEU 43 N 1.40 5.08 0.17 2.53 1.43 -1.26 -0.97 118.68 127.06 1xqq s LEU 43 Ca 0.05 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.08 1xqq s LEU 43 Cb -0.14 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 43.63 1xqq s LEU 43 CO -0.02 -0.73 0.58 -0.63 0.23 0.00 0.00 176.35 175.78 1xqq s ILE 44 N 2.25 4.81 -0.27 -0.59 -1.09 0.81 -0.92 121.20 126.21 1xqq s ILE 44 Ca 0.12 0.88 0.02 0.00 -2.23 0.00 0.00 60.65 59.44 1xqq s ILE 44 Cb -0.20 -3.74 0.07 0.00 -1.58 0.00 0.00 42.46 37.01 1xqq s ILE 44 CO 0.11 0.21 -0.05 0.12 -1.23 0.00 0.00 174.94 174.10 1xqq s PHE 45 N -1.51 2.93 0.00 3.97 5.36 0.37 0.07 117.98 129.18 1xqq s PHE 45 Ca 0.39 -2.19 0.00 0.00 -0.96 0.00 0.00 56.93 54.17 1xqq s PHE 45 Cb -0.15 -1.95 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 1xqq s PHE 45 CO 0.19 -0.85 0.00 0.00 -1.46 0.00 0.00 175.22 173.10 1xqq n ALA 46 N 4.52 0.00 -0.19 11.12 0.00 -1.26 -1.47 120.51 133.23 1xqq n ALA 46 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.72 3.63 0.00 0.00 -1.26 -5.01 105.19 101.83 1xqq n GLY 47 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.09 3.98 -0.02 1.61 2.20 -0.54 -5.06 119.74 121.82 1xqq s LYS 48 Ca 0.00 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1xqq s LYS 48 Cb 0.00 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 1xqq s LYS 48 CO 0.00 0.14 1.32 -1.14 -0.36 0.00 0.00 175.35 175.31 1xqq s GLN 49 N 0.78 4.31 0.70 4.03 0.74 -1.26 -0.48 119.66 128.48 1xqq s GLN 49 Ca 0.05 1.85 -0.10 0.00 0.05 0.00 0.00 55.36 57.21 1xqq s GLN 49 Cb -0.13 -3.56 0.03 0.00 1.10 0.00 0.00 33.01 30.45 1xqq s GLN 49 CO 0.02 -0.52 1.06 -0.51 -0.55 0.00 0.00 175.29 174.79 1xqq s LEU 50 N 2.30 2.88 0.23 3.68 1.43 -0.10 -4.94 118.68 124.16 1xqq s LEU 50 Ca 0.61 0.90 0.03 0.00 -1.03 0.00 0.00 54.13 54.63 1xqq s LEU 50 Cb -0.29 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 1xqq s LEU 50 CO 0.25 -1.43 0.38 -1.61 0.23 0.00 0.00 176.35 174.17 1xqq s GLU 51 N -5.31 3.46 -0.04 1.70 0.41 -1.26 -4.82 118.70 112.83 1xqq s GLU 51 Ca 0.58 -0.60 -0.20 0.00 -0.41 0.00 0.00 54.97 54.34 1xqq s GLU 51 Cb -0.11 -2.86 -0.14 0.00 -1.78 0.00 0.00 34.13 29.24 1xqq s GLU 51 CO 0.49 0.40 0.85 -0.44 -0.49 0.00 0.00 175.26 176.07 1xqq h ASP 52 N 1.42 -0.30 -0.05 -0.19 5.19 -1.98 -3.32 116.42 117.18 1xqq h ASP 52 Ca -0.50 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 55.70 1xqq h ASP 52 Cb 1.22 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1xqq h ASP 52 CO 0.64 0.18 0.00 0.61 -3.12 0.00 0.00 179.24 177.55 1xqq n GLY 53 N 0.38 0.18 3.80 2.75 0.00 -1.26 -1.13 105.19 109.90 1xqq n GLY 53 Ca -0.08 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.61 2.83 0.43 1.61 0.52 -1.25 -4.91 118.95 116.57 1xqq s ARG 54 Ca 0.04 -1.07 0.08 0.00 -0.52 0.00 0.00 55.73 54.25 1xqq s ARG 54 Cb 0.02 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1xqq s ARG 54 CO 0.02 0.41 0.49 0.95 0.02 0.00 0.00 175.30 177.19 1xqq s THR 55 N -2.09 2.74 0.21 0.02 -4.23 -1.26 -1.54 115.64 109.49 1xqq s THR 55 Ca 0.32 -1.17 -0.09 0.00 -1.18 0.00 0.00 61.69 59.57 1xqq s THR 55 Cb -0.08 -2.91 0.15 0.00 1.34 0.00 0.00 72.50 71.00 1xqq s THR 55 CO 0.24 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.10 1xqq h LEU 56 N 0.78 0.72 -1.48 4.79 -0.00 -1.62 -2.97 115.31 115.53 1xqq h LEU 56 Ca -0.40 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 57.64 1xqq h LEU 56 Cb 1.28 -0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 41.73 1xqq h LEU 56 CO 0.51 0.50 0.54 -1.28 -0.00 0.00 0.00 178.44 178.70 1xqq h SER 57 N 0.86 0.47 1.41 -0.43 0.87 -1.75 0.11 113.55 115.09 1xqq h SER 57 Ca 0.29 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.77 1xqq h SER 57 Cb 0.05 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1xqq h SER 57 CO -0.12 0.23 -0.60 0.44 -0.53 0.00 0.00 176.83 176.25 1xqq h ASP 58 N 0.49 0.00 0.22 6.23 3.32 -1.81 -2.89 116.42 121.97 1xqq h ASP 58 Ca 0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.46 1xqq h ASP 58 Cb 0.87 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1xqq h ASP 58 CO -0.15 0.52 -0.82 -1.22 -1.72 0.00 0.00 179.24 175.86 1xqq n TYR 59 N -3.20 0.01 -2.36 4.55 4.01 -1.21 -5.00 117.16 113.95 1xqq n TYR 59 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 1xqq n TYR 59 Cb 0.75 -0.12 0.01 0.00 -0.31 0.00 0.00 39.34 39.67 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 -1.53 -2.22 -4.76 7.72 4.13 -0.82 -5.06 115.26 112.72 1xqq n ASN 60 Ca 0.04 -0.07 -0.40 0.00 1.68 0.00 0.00 54.58 55.84 1xqq n ASN 60 Cb 0.34 -1.02 -0.04 0.00 -1.54 0.00 0.00 39.78 37.51 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 -3.04 3.51 0.57 2.41 1.01 0.31 -4.99 121.20 120.99 1xqq s ILE 61 Ca 0.03 1.51 0.07 0.00 0.00 0.00 0.00 60.65 62.26 1xqq s ILE 61 Cb -0.01 -3.96 0.08 0.00 0.01 0.00 0.00 42.46 38.58 1xqq s ILE 61 CO 0.08 0.35 0.79 -1.10 0.00 0.00 0.00 174.94 175.06 1xqq s GLN 62 N -1.48 2.30 0.70 2.79 -0.21 -1.26 -4.49 119.66 118.02 1xqq s GLN 62 Ca 0.45 -1.38 -0.14 0.00 0.02 0.00 0.00 55.36 54.31 1xqq s GLN 62 Cb -0.31 -2.59 0.02 0.00 1.00 0.00 0.00 33.01 31.13 1xqq s GLN 62 CO 0.40 -0.85 1.12 -1.59 -2.12 0.00 0.00 175.29 172.25 1xqq s LYS 63 N -4.71 2.52 -1.41 2.91 -2.85 -1.26 -3.87 119.74 111.07 1xqq s LYS 63 Ca 0.61 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.98 1xqq s LYS 63 Cb -0.07 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.79 1xqq s LYS 63 CO 0.39 -1.47 0.00 0.39 0.10 0.00 0.00 175.35 174.76 1xqq n GLU 64 N -2.76 -1.53 -2.81 1.78 1.02 0.23 -4.94 120.64 111.63 1xqq n GLU 64 Ca 0.11 0.88 -0.31 0.00 -0.02 0.00 0.00 57.16 57.82 1xqq n GLU 64 Cb 0.52 -5.17 -0.04 0.00 -0.02 0.00 0.00 31.44 26.74 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 -2.28 6.58 -0.41 1.62 0.01 -1.25 -4.71 113.70 113.25 1xqq s SER 65 Ca 0.00 1.23 -0.15 0.00 1.31 0.00 0.00 55.95 58.34 1xqq s SER 65 Cb 0.00 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.89 1xqq s SER 65 CO 0.00 -0.41 0.31 -0.89 0.41 0.00 0.00 173.24 172.67 1xqq s THR 66 N -2.36 5.25 0.44 1.44 2.01 -1.26 -0.60 115.64 120.55 1xqq s THR 66 Ca 0.53 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.80 1xqq s THR 66 Cb -0.10 -3.94 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 1xqq s THR 66 CO 0.29 -0.32 0.79 -0.76 -0.69 0.00 0.00 174.62 173.93 1xqq s LEU 67 N 1.72 3.75 -0.05 4.42 1.02 0.18 -4.76 118.68 124.96 1xqq s LEU 67 Ca 0.06 1.10 0.02 0.00 0.02 0.00 0.00 54.13 55.33 1xqq s LEU 67 Cb -0.19 -4.01 -0.03 0.00 0.02 0.00 0.00 46.19 41.99 1xqq s LEU 67 CO 0.10 -0.47 -0.10 -1.00 0.02 0.00 0.00 176.35 174.90 1xqq s HIS 68 N -2.51 2.83 -0.23 0.29 3.76 0.11 -1.20 115.29 118.34 1xqq s HIS 68 Ca 0.50 -0.06 -0.05 0.00 -0.15 0.00 0.00 55.06 55.31 1xqq s HIS 68 Cb -0.10 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 31.91 1xqq s HIS 68 CO 0.36 0.28 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.35 1xqq s LEU 69 N -0.86 3.08 -0.05 0.89 2.96 0.10 -0.13 118.68 124.67 1xqq s LEU 69 Ca 0.13 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1xqq s LEU 69 Cb -0.11 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1xqq s LEU 69 CO 0.02 -0.04 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.10 1xqq s VAL 70 N 1.51 1.80 0.25 1.68 1.01 -0.14 -3.80 120.40 122.70 1xqq s VAL 70 Ca 0.06 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1xqq s VAL 70 Cb -0.15 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1xqq s VAL 70 CO -0.01 0.51 0.50 -0.76 0.00 0.00 0.00 175.10 175.33 1xqq s LEU 71 N -0.07 4.13 -0.23 3.92 1.43 -1.26 -0.78 118.68 125.82 1xqq s LEU 71 Ca -0.04 0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 53.44 1xqq s LEU 71 Cb -0.13 -3.46 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1xqq s LEU 71 CO 0.03 -0.12 1.07 -0.60 0.23 0.00 0.00 176.35 176.96 1xqq s ARG 72 N -3.30 4.23 -0.85 1.70 3.52 0.13 -4.89 118.95 119.49 1xqq s ARG 72 Ca 0.43 1.36 -0.18 0.00 -0.13 0.00 0.00 55.73 57.21 1xqq s ARG 72 Cb -0.11 -3.67 0.14 0.00 -1.56 0.00 0.00 34.95 29.76 1xqq s ARG 72 CO 0.28 -0.67 0.99 -0.51 -0.81 0.00 0.00 175.30 174.58 1xqq s LEU 73 N 3.29 5.40 -0.14 -0.88 1.43 -1.26 -4.72 118.68 121.80 1xqq s LEU 73 Ca 0.45 -2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 51.40 1xqq s LEU 73 Cb -0.15 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.63 1xqq s LEU 73 CO 0.08 -0.99 0.06 0.03 0.23 0.00 0.00 176.35 175.76 1xqq h ARG 74 N 8.70 0.00 -0.51 1.70 3.08 -2.00 -3.48 114.38 121.87 1xqq h ARG 74 Ca 0.07 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.34 1xqq h ARG 74 Cb 1.04 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.85 1xqq h ARG 74 CO 1.04 0.32 0.28 0.20 -1.07 0.00 0.00 179.97 180.74 1xqq s GLY 75 N -4.17 -0.11 0.00 0.04 0.00 -1.26 -5.34 107.32 96.48 1xqq s GLY 75 Ca -0.14 3.13 0.00 0.00 0.00 0.00 0.00 44.72 47.71 1xqq s GLY 75 CO 0.29 3.49 0.00 0.61 0.00 0.00 0.00 173.10 177.49