#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 4.55 0.49 3.17 -0.21 -1.26 0.20 119.66 126.60 1xqq s GLN 2 Ca 0.00 1.26 0.04 0.00 0.02 0.00 0.00 55.36 56.68 1xqq s GLN 2 Cb 0.00 -3.42 -0.02 0.00 1.00 0.00 0.00 33.01 30.57 1xqq s GLN 2 CO 0.00 0.08 0.11 0.96 -2.12 0.00 0.00 175.29 174.32 1xqq s ILE 3 N 0.59 1.54 -0.19 1.08 -4.36 -0.13 0.74 121.20 120.48 1xqq s ILE 3 Ca 0.46 -1.86 -0.03 0.00 -0.26 0.00 0.00 60.65 58.96 1xqq s ILE 3 Cb -0.21 -2.40 0.06 0.00 1.25 0.00 0.00 42.46 41.16 1xqq s ILE 3 CO 0.26 0.00 0.05 -0.36 0.24 0.00 0.00 174.94 175.13 1xqq s PHE 4 N -2.79 0.83 -0.20 1.37 0.08 -1.04 -2.10 117.98 114.12 1xqq s PHE 4 Ca 0.21 -0.74 -0.11 0.00 0.12 0.00 0.00 56.93 56.40 1xqq s PHE 4 Cb 0.02 -0.95 -0.05 0.00 -0.57 0.00 0.00 43.02 41.47 1xqq s PHE 4 CO 0.12 -0.59 0.19 0.08 -0.10 0.00 0.00 175.22 174.91 1xqq s VAL 5 N 1.92 5.36 -0.04 -0.44 1.01 0.65 -0.75 120.40 128.13 1xqq s VAL 5 Ca -0.00 0.31 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1xqq s VAL 5 Cb -0.17 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1xqq s VAL 5 CO -0.09 0.40 0.52 -0.54 0.00 0.00 0.00 175.10 175.39 1xqq s LYS 6 N 0.55 4.25 0.69 2.72 1.02 0.15 0.75 119.74 129.88 1xqq s LYS 6 Ca 0.11 0.58 -0.04 0.00 0.02 0.00 0.00 55.97 56.63 1xqq s LYS 6 Cb -0.12 -3.35 0.08 0.00 -0.52 0.00 0.00 37.83 33.92 1xqq s LYS 6 CO 0.01 0.37 0.98 0.95 -0.92 0.00 0.00 175.35 176.74 1xqq s THR 7 N -0.12 2.32 0.21 2.17 -4.23 -0.68 -0.50 115.64 114.81 1xqq s THR 7 Ca 0.28 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 60.35 1xqq s THR 7 Cb -0.17 -2.92 0.01 0.00 1.34 0.00 0.00 72.50 70.77 1xqq s THR 7 CO 0.14 0.00 1.60 0.25 -0.54 0.00 0.00 174.62 176.07 1xqq h LEU 8 N -0.51 0.72 0.40 4.79 5.85 -1.90 -3.32 115.31 121.33 1xqq h LEU 8 Ca -0.42 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 57.99 1xqq h LEU 8 Cb 1.30 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1xqq h LEU 8 CO 0.53 0.98 -0.19 0.71 -0.34 0.00 0.00 178.44 180.13 1xqq h THR 9 N 0.58 0.22 0.00 1.05 1.35 -1.96 -3.48 112.91 110.67 1xqq h THR 9 Ca 0.06 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1xqq h THR 9 Cb 0.83 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1xqq h THR 9 CO 0.07 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1xqq n GLY 10 N 0.22 0.00 3.95 5.82 0.00 -1.25 -5.14 105.19 108.78 1xqq n GLY 10 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 3.46 -0.17 1.61 1.02 -1.26 -4.95 119.74 119.44 1xqq s LYS 11 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1xqq s LYS 11 Cb 0.00 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.57 1xqq s LYS 11 CO 0.00 0.25 -0.17 0.99 -0.92 0.00 0.00 175.35 175.50 1xqq s THR 12 N -2.20 2.40 -0.25 2.17 2.01 -1.26 -1.68 115.64 116.83 1xqq s THR 12 Ca 0.38 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1xqq s THR 12 Cb -0.09 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1xqq s THR 12 CO 0.33 0.52 0.08 -0.63 -0.69 0.00 0.00 174.62 174.23 1xqq s ILE 13 N 1.15 4.37 -0.84 1.82 1.01 0.23 -4.87 121.20 124.06 1xqq s ILE 13 Ca 0.01 -0.15 -0.23 0.00 0.00 0.00 0.00 60.65 60.28 1xqq s ILE 13 Cb -0.14 -3.05 0.07 0.00 0.01 0.00 0.00 42.46 39.35 1xqq s ILE 13 CO -0.07 0.33 1.21 -0.89 0.00 0.00 0.00 174.94 175.52 1xqq s THR 14 N 1.62 4.18 -0.12 2.92 2.01 -1.26 -0.25 115.64 124.73 1xqq s THR 14 Ca 0.06 -0.61 -0.14 0.00 0.31 0.00 0.00 61.69 61.31 1xqq s THR 14 Cb -0.15 -4.86 -0.05 0.00 0.01 0.00 0.00 72.50 67.45 1xqq s THR 14 CO 0.04 -1.69 0.32 -0.76 -0.69 0.00 0.00 174.62 171.84 1xqq s LEU 15 N 4.34 4.30 -0.59 4.42 1.43 -0.89 -4.95 118.68 126.73 1xqq s LEU 15 Ca 0.34 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.85 1xqq s LEU 15 Cb -0.07 -2.43 0.06 0.00 0.03 0.00 0.00 46.19 43.78 1xqq s LEU 15 CO 0.01 0.15 0.86 -0.70 0.23 0.00 0.00 176.35 176.90 1xqq s GLU 16 N 0.09 3.17 0.20 1.70 2.12 -1.26 -0.95 118.70 123.76 1xqq s GLU 16 Ca 0.19 -0.74 0.10 0.00 0.36 0.00 0.00 54.97 54.87 1xqq s GLU 16 Cb -0.14 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 1xqq s GLU 16 CO 0.06 -1.58 -0.12 0.14 -0.54 0.00 0.00 175.26 173.23 1xqq s VAL 17 N 3.61 3.04 0.13 3.70 -7.23 0.13 -4.93 120.40 118.84 1xqq s VAL 17 Ca 0.22 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.65 1xqq s VAL 17 Cb -0.17 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 1xqq s VAL 17 CO 0.13 -0.15 0.12 -1.61 -0.31 0.00 0.00 175.10 173.28 1xqq s GLU 18 N -2.92 2.93 0.00 4.82 2.02 -1.26 0.68 118.70 124.98 1xqq s GLU 18 Ca 0.25 -0.77 0.27 0.00 0.02 0.00 0.00 54.97 54.73 1xqq s GLU 18 Cb -0.08 -2.70 0.80 0.00 0.10 0.00 0.00 34.13 32.25 1xqq s GLU 18 CO 0.15 0.52 1.62 -0.35 0.02 0.00 0.00 175.26 177.22 1xqq n PRO 19 N -0.01 0.00 0.00 0.39 -0.04 -1.26 -2.29 135.00 131.79 1xqq n PRO 19 Ca -0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 1xqq n PRO 19 Cb 0.53 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.14 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -1.51 0.76 -4.77 3.54 3.41 -1.26 -0.69 113.62 113.10 1xqq n SER 20 Ca 0.06 -1.05 -0.35 0.00 -0.26 0.00 0.00 58.87 57.27 1xqq n SER 20 Cb 0.34 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.29 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.17 5.58 0.70 4.04 1.01 -0.97 -4.70 116.67 120.15 1xqq s ASP 21 Ca 0.37 2.15 -0.11 0.00 0.71 0.00 0.00 52.55 55.67 1xqq s ASP 21 Cb 0.21 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.57 1xqq s ASP 21 CO 0.40 -1.31 1.07 0.42 0.21 0.00 0.00 175.17 175.95 1xqq s THR 22 N -1.88 3.93 0.24 -1.27 -4.23 -1.26 -1.12 115.64 110.05 1xqq s THR 22 Ca 0.72 0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 61.80 1xqq s THR 22 Cb -0.23 -3.48 0.22 0.00 1.34 0.00 0.00 72.50 70.35 1xqq s THR 22 CO 0.30 -0.82 1.87 0.40 -0.54 0.00 0.00 174.62 175.83 1xqq h ILE 23 N -0.67 1.10 -0.95 2.99 1.08 -0.95 -0.27 117.51 119.83 1xqq h ILE 23 Ca -0.45 -0.37 0.29 0.00 -0.39 0.00 0.00 64.86 63.95 1xqq h ILE 23 Cb 1.22 -0.06 -0.17 0.00 -3.07 0.00 0.00 36.82 34.75 1xqq h ILE 23 CO 0.60 0.19 0.24 -0.08 -0.69 0.00 0.00 178.15 178.41 1xqq h GLU 24 N 1.07 0.09 -0.10 2.37 4.81 -1.32 -1.92 114.58 119.58 1xqq h GLU 24 Ca 0.37 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1xqq h GLU 24 Cb 0.09 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 1xqq h GLU 24 CO -0.14 0.06 0.01 -0.97 -0.73 0.00 0.00 179.01 177.23 1xqq h ASN 25 N 0.10 0.17 -1.00 1.04 -0.73 -1.36 -3.17 115.58 110.63 1xqq h ASN 25 Ca 0.64 -0.29 0.22 0.00 1.87 0.00 0.00 56.30 58.74 1xqq h ASN 25 Cb 1.42 -0.05 -0.11 0.00 0.27 0.00 0.00 38.32 39.85 1xqq h ASN 25 CO -0.78 0.42 0.62 0.58 -0.37 0.00 0.00 177.43 177.90 1xqq h VAL 26 N -0.08 0.61 0.00 2.57 2.07 -0.72 0.44 116.25 121.14 1xqq h VAL 26 Ca 0.03 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1xqq h VAL 26 Cb 0.33 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1xqq h VAL 26 CO 0.00 0.11 -0.13 0.11 0.02 0.00 0.00 177.57 177.68 1xqq h LYS 27 N 0.60 0.00 0.00 1.57 1.57 -1.37 -2.97 116.57 115.97 1xqq h LYS 27 Ca 0.59 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.33 1xqq h LYS 27 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1xqq h LYS 27 CO -0.37 0.13 -0.21 0.00 -0.57 0.00 0.00 179.45 178.43 1xqq h ALA 28 N 1.87 1.03 0.08 3.86 0.00 -0.89 0.60 119.26 125.81 1xqq h ALA 28 Ca -0.00 -0.19 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1xqq h ALA 28 Cb 0.91 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xqq h ALA 28 CO 0.02 0.26 -1.29 0.87 0.00 0.00 0.00 179.25 179.11 1xqq h LYS 29 N 0.00 0.16 -0.28 0.00 1.57 -1.36 -1.60 116.57 115.07 1xqq h LYS 29 Ca -0.00 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1xqq h LYS 29 Cb 0.71 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 1xqq h LYS 29 CO 0.03 1.07 -0.17 0.82 -0.57 0.00 0.00 179.45 180.63 1xqq h ILE 30 N 0.04 1.30 -0.81 1.86 2.04 -1.34 0.15 117.51 120.76 1xqq h ILE 30 Ca -0.14 -1.28 0.19 0.00 1.00 0.00 0.00 64.86 64.63 1xqq h ILE 30 Cb 1.93 1.53 -0.14 0.00 -0.74 0.00 0.00 36.82 39.39 1xqq h ILE 30 CO 0.16 0.41 0.01 -0.61 0.00 0.00 0.00 178.15 178.11 1xqq h GLN 31 N 0.35 0.09 0.09 2.37 4.15 0.15 -2.82 115.11 119.49 1xqq h GLN 31 Ca 0.06 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1xqq h GLN 31 Cb 0.70 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.37 1xqq h GLN 31 CO 0.05 0.06 -0.04 0.22 -1.93 0.00 0.00 178.83 177.18 1xqq h ASP 32 N 0.09 -0.11 0.00 -0.69 3.58 -1.07 -3.26 116.42 114.96 1xqq h ASP 32 Ca 0.45 -0.44 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xqq h ASP 32 Cb 0.81 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1xqq h ASP 32 CO -0.72 0.54 0.00 1.17 -2.88 0.00 0.00 179.24 177.35 1xqq n LYS 33 N -4.82 0.00 -0.24 0.28 3.00 0.51 -4.38 118.16 112.50 1xqq n LYS 33 Ca -0.07 0.45 -0.04 0.00 -0.00 0.00 0.00 58.31 58.66 1xqq n LYS 33 Cb 0.27 -0.95 0.07 0.00 0.00 0.00 0.00 35.03 34.42 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1xqq h GLU 34 N 0.00 0.83 0.00 1.64 4.39 -1.70 -3.48 114.58 116.27 1xqq h GLU 34 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1xqq h GLU 34 Cb 0.00 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.46 1xqq h GLU 34 CO 0.00 0.55 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 1xqq n GLY 35 N -1.29 0.90 3.69 -3.84 0.00 -1.07 -5.07 105.19 98.50 1xqq n GLY 35 Ca 0.07 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 4.40 0.63 -0.61 1.01 -1.22 -5.00 121.20 118.41 1xqq s ILE 36 Ca 0.00 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.24 1xqq s ILE 36 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 1xqq s ILE 36 CO 0.00 -0.00 1.03 -2.84 0.00 0.00 0.00 174.94 173.13 1xqq s PRO 37 N 2.16 3.43 0.45 2.79 0.02 -1.26 -3.63 135.00 138.95 1xqq s PRO 37 Ca 0.54 0.87 0.24 0.00 0.02 0.00 0.00 61.00 62.68 1xqq s PRO 37 Cb -0.23 -2.06 0.96 0.00 0.02 0.00 0.00 34.50 33.19 1xqq s PRO 37 CO 0.21 -0.70 1.84 -1.35 -0.33 0.00 0.00 177.00 176.67 1xqq h PRO 38 N -0.21 0.00 0.00 5.54 0.11 -1.96 -2.90 132.00 132.58 1xqq h PRO 38 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xqq h PRO 38 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xqq h PRO 38 CO 0.60 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 1xqq n ASP 39 N -3.39 0.00 0.09 -2.05 5.68 -1.26 -2.65 116.55 112.97 1xqq n ASP 39 Ca 0.00 -1.00 0.01 0.00 -0.50 0.00 0.00 54.79 53.30 1xqq n ASP 39 Cb 0.42 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1xqq n ASP 39 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1xqq h GLN 40 N 0.00 0.00 -5.66 0.11 4.20 -1.81 -3.43 115.11 108.52 1xqq h GLN 40 Ca 0.00 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.13 1xqq h GLN 40 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 1xqq h GLN 40 CO 0.00 0.43 -0.17 -0.65 -0.67 0.00 0.00 178.83 177.76 1xqq s GLN 41 N -2.94 4.31 -0.06 1.46 -0.21 -1.08 -0.76 119.66 120.37 1xqq s GLN 41 Ca 0.01 0.36 -0.03 0.00 0.02 0.00 0.00 55.36 55.73 1xqq s GLN 41 Cb 0.08 -3.45 0.04 0.00 1.00 0.00 0.00 33.01 30.68 1xqq s GLN 41 CO 0.78 0.15 0.12 0.50 -2.12 0.00 0.00 175.29 174.71 1xqq s ARG 42 N 0.69 -0.01 -0.11 2.91 3.52 -1.17 -4.78 118.95 120.00 1xqq s ARG 42 Ca 0.24 0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 56.27 1xqq s ARG 42 Cb -0.15 -0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1xqq s ARG 42 CO 0.09 -0.30 0.05 -0.51 -0.81 0.00 0.00 175.30 173.81 1xqq s LEU 43 N 2.15 3.85 -0.07 -0.88 1.43 -1.26 -0.74 118.68 123.17 1xqq s LEU 43 Ca 0.03 0.23 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1xqq s LEU 43 Cb -0.12 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 1xqq s LEU 43 CO -0.05 0.36 -0.18 -0.63 0.23 0.00 0.00 176.35 176.09 1xqq s ILE 44 N -0.75 2.71 -0.42 -0.59 -1.09 0.76 -1.21 121.20 120.62 1xqq s ILE 44 Ca 0.12 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.64 1xqq s ILE 44 Cb -0.12 -2.06 0.09 0.00 -1.58 0.00 0.00 42.46 38.80 1xqq s ILE 44 CO 0.03 0.57 0.25 0.12 -1.23 0.00 0.00 174.94 174.67 1xqq s PHE 45 N -0.30 3.42 0.00 3.97 5.36 -0.81 -1.69 117.98 127.92 1xqq s PHE 45 Ca 0.02 -1.86 0.00 0.00 -0.96 0.00 0.00 56.93 54.13 1xqq s PHE 45 Cb -0.13 -3.09 0.00 0.00 -0.34 0.00 0.00 43.02 39.46 1xqq s PHE 45 CO 0.03 -0.91 0.00 0.00 -1.46 0.00 0.00 175.22 172.88 1xqq n ALA 46 N 4.81 0.00 -2.03 11.12 0.00 -1.26 -2.11 120.51 131.04 1xqq n ALA 46 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xqq n ALA 46 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.64 3.29 0.00 0.00 -1.26 -5.05 105.19 102.80 1xqq n GLY 47 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 3.21 0.34 1.61 2.20 -0.89 -5.09 119.74 121.11 1xqq s LYS 48 Ca 0.02 -0.79 -0.26 0.00 -0.36 0.00 0.00 55.97 54.58 1xqq s LYS 48 Cb 0.03 -2.46 -0.09 0.00 -1.51 0.00 0.00 37.83 33.79 1xqq s LYS 48 CO -0.01 0.19 1.03 1.14 -0.36 0.00 0.00 175.35 177.34 1xqq s GLN 49 N 0.35 4.44 -0.36 4.03 -2.07 -1.26 -1.92 119.66 122.86 1xqq s GLN 49 Ca -0.15 1.54 -0.11 0.00 -1.82 0.00 0.00 55.36 54.82 1xqq s GLN 49 Cb -0.17 -2.83 0.02 0.00 -1.09 0.00 0.00 33.01 28.94 1xqq s GLN 49 CO 0.07 0.10 0.21 -0.51 -1.32 0.00 0.00 175.29 173.84 1xqq s LEU 50 N -2.08 4.64 0.18 2.60 1.43 -0.35 -4.94 118.68 120.16 1xqq s LEU 50 Ca 0.51 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1xqq s LEU 50 Cb -0.24 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 43.88 1xqq s LEU 50 CO 0.30 -0.35 0.44 -1.61 0.23 0.00 0.00 176.35 175.37 1xqq s GLU 51 N 1.59 3.67 0.10 1.70 0.41 -1.26 -4.47 118.70 120.44 1xqq s GLU 51 Ca 0.03 0.02 -0.20 0.00 -0.41 0.00 0.00 54.97 54.41 1xqq s GLU 51 Cb -0.19 -2.77 -0.05 0.00 -1.78 0.00 0.00 34.13 29.35 1xqq s GLU 51 CO 0.07 0.40 1.33 -0.25 -0.49 0.00 0.00 175.26 176.32 1xqq n ASP 52 N -0.10 -0.69 0.16 -0.19 8.00 -1.26 -3.27 116.55 119.20 1xqq n ASP 52 Ca -0.02 1.49 0.03 0.00 0.71 0.00 0.00 54.79 57.00 1xqq n ASP 52 Cb 0.52 -0.32 0.16 0.00 -0.02 0.00 0.00 41.12 41.46 1xqq n ASP 52 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1xqq h GLY 53 N 0.00 0.00 -1.40 0.44 0.00 -1.96 -0.38 103.07 99.77 1xqq h GLY 53 Ca 0.10 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.95 1xqq h GLY 53 CO -0.61 0.00 0.26 0.50 0.00 0.00 0.00 176.54 176.70 1xqq s ARG 54 N -3.24 2.94 0.45 4.80 1.81 -1.20 -4.79 118.95 119.73 1xqq s ARG 54 Ca 0.02 0.19 0.05 0.00 -1.72 0.00 0.00 55.73 54.27 1xqq s ARG 54 Cb 0.09 -2.18 0.01 0.00 -0.45 0.00 0.00 34.95 32.43 1xqq s ARG 54 CO 0.72 -0.79 0.63 0.95 -0.68 0.00 0.00 175.30 176.13 1xqq s THR 55 N -3.12 3.08 0.18 0.02 -4.23 -1.26 -1.15 115.64 109.16 1xqq s THR 55 Ca 0.55 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 1xqq s THR 55 Cb -0.11 -3.08 0.09 0.00 1.34 0.00 0.00 72.50 70.74 1xqq s THR 55 CO 0.48 -0.04 1.73 -0.07 -0.54 0.00 0.00 174.62 176.17 1xqq h LEU 56 N 0.47 0.89 -0.71 4.79 3.38 -1.21 -2.05 115.31 120.87 1xqq h LEU 56 Ca -0.42 -0.18 0.08 0.00 0.09 0.00 0.00 57.88 57.45 1xqq h LEU 56 Cb 1.28 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 1xqq h LEU 56 CO 0.49 0.84 0.37 0.77 0.09 0.00 0.00 178.44 181.00 1xqq h SER 57 N 0.90 0.51 -0.05 -0.43 4.64 -1.18 -0.64 113.55 117.30 1xqq h SER 57 Ca 0.21 0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.45 1xqq h SER 57 Cb 0.24 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1xqq h SER 57 CO -0.01 0.31 -0.39 -0.78 -0.87 0.00 0.00 176.83 175.08 1xqq h ASP 58 N 0.65 0.60 -0.28 4.97 1.82 -1.76 -2.32 116.42 120.10 1xqq h ASP 58 Ca 0.34 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1xqq h ASP 58 Cb 0.31 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1xqq h ASP 58 CO -0.24 0.93 0.00 -1.22 -1.61 0.00 0.00 179.24 177.10 1xqq n TYR 59 N -4.03 0.36 -3.64 0.28 4.01 -0.80 -4.96 117.16 108.37 1xqq n TYR 59 Ca -0.02 -0.18 -0.25 0.00 -0.16 0.00 0.00 57.90 57.30 1xqq n TYR 59 Cb 0.51 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.61 -5.82 -4.72 7.72 4.13 -0.87 -4.99 115.26 111.32 1xqq n ASN 60 Ca 0.16 -0.59 -0.42 0.00 1.68 0.00 0.00 54.58 55.42 1xqq n ASN 60 Cb 0.37 -4.85 -0.03 0.00 -1.54 0.00 0.00 39.78 33.73 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 -3.32 4.06 0.67 2.41 -1.09 -0.30 -5.02 121.20 118.61 1xqq s ILE 61 Ca 0.56 1.55 -0.00 0.00 -2.23 0.00 0.00 60.65 60.53 1xqq s ILE 61 Cb -0.25 -3.99 0.10 0.00 -1.58 0.00 0.00 42.46 36.73 1xqq s ILE 61 CO 0.75 0.16 0.93 -1.10 -1.23 0.00 0.00 174.94 174.45 1xqq s GLN 62 N 0.66 1.94 0.06 2.79 -0.21 -1.26 -4.72 119.66 118.92 1xqq s GLN 62 Ca 0.55 -1.01 -0.31 0.00 0.02 0.00 0.00 55.36 54.62 1xqq s GLN 62 Cb -0.29 -2.37 -0.08 0.00 1.00 0.00 0.00 33.01 31.27 1xqq s GLN 62 CO 0.31 -1.24 1.72 -1.59 -2.12 0.00 0.00 175.29 172.37 1xqq s LYS 63 N -5.04 4.18 -0.95 2.91 -2.85 -1.26 -3.36 119.74 113.37 1xqq s LYS 63 Ca 0.64 2.40 -0.02 0.00 -1.00 0.00 0.00 55.97 57.98 1xqq s LYS 63 Cb -0.07 -3.70 0.00 0.00 -2.06 0.00 0.00 37.83 32.00 1xqq s LYS 63 CO 0.43 -0.79 0.32 0.39 0.10 0.00 0.00 175.35 175.79 1xqq n GLU 64 N 5.99 -2.70 -3.38 1.78 1.02 0.23 -4.98 120.64 118.59 1xqq n GLU 64 Ca 0.17 0.55 -0.36 0.00 -0.02 0.00 0.00 57.16 57.50 1xqq n GLU 64 Cb 0.40 -4.67 -0.06 0.00 -0.02 0.00 0.00 31.44 27.09 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 -2.78 6.84 -0.16 1.62 0.01 -1.21 -4.77 113.70 113.25 1xqq s SER 65 Ca 0.16 1.06 -0.25 0.00 1.31 0.00 0.00 55.95 58.23 1xqq s SER 65 Cb -0.07 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 1xqq s SER 65 CO 0.20 0.16 0.81 -0.89 0.41 0.00 0.00 173.24 173.93 1xqq s THR 66 N -1.37 4.90 0.13 1.44 2.01 -1.26 -2.51 115.64 118.99 1xqq s THR 66 Ca 0.34 1.60 0.07 0.00 0.31 0.00 0.00 61.69 64.02 1xqq s THR 66 Cb -0.16 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1xqq s THR 66 CO 0.18 0.05 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.33 1xqq s LEU 67 N 1.99 3.09 -0.12 4.42 1.02 0.07 -4.70 118.68 124.45 1xqq s LEU 67 Ca 0.38 -0.42 0.01 0.00 0.02 0.00 0.00 54.13 54.11 1xqq s LEU 67 Cb -0.17 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 1xqq s LEU 67 CO 0.13 0.15 -0.16 -1.00 0.02 0.00 0.00 176.35 175.49 1xqq s HIS 68 N -1.41 2.75 -0.23 0.29 3.76 -0.68 0.35 115.29 120.12 1xqq s HIS 68 Ca 0.23 -0.74 -0.16 0.00 -0.15 0.00 0.00 55.06 54.24 1xqq s HIS 68 Cb -0.10 -1.81 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 1xqq s HIS 68 CO 0.15 -0.26 0.42 -1.17 -0.85 0.00 0.00 174.74 173.03 1xqq s LEU 69 N 0.35 4.10 0.37 0.89 2.96 0.34 -0.17 118.68 127.53 1xqq s LEU 69 Ca -0.13 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1xqq s LEU 69 Cb -0.16 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1xqq s LEU 69 CO 0.06 -0.16 0.10 0.68 -1.32 0.00 0.00 176.35 175.72 1xqq s VAL 70 N 1.74 2.57 -0.38 1.68 -7.23 0.08 -3.68 120.40 115.19 1xqq s VAL 70 Ca 0.19 -1.81 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 1xqq s VAL 70 Cb -0.15 -2.92 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1xqq s VAL 70 CO 0.09 -0.11 0.86 -0.22 -0.31 0.00 0.00 175.10 175.41 1xqq s LEU 71 N -3.82 4.06 -0.42 1.32 2.96 -1.26 -3.01 118.68 118.52 1xqq s LEU 71 Ca 0.38 0.40 -0.29 0.00 -0.22 0.00 0.00 54.13 54.40 1xqq s LEU 71 Cb 0.01 -3.14 0.01 0.00 0.50 0.00 0.00 46.19 43.57 1xqq s LEU 71 CO 0.21 -0.83 1.38 -0.60 -1.32 0.00 0.00 176.35 175.19 1xqq s ARG 72 N 3.35 3.60 -0.27 1.98 3.52 0.06 -4.97 118.95 126.22 1xqq s ARG 72 Ca 0.35 0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 56.81 1xqq s ARG 72 Cb -0.12 -4.01 0.02 0.00 -1.56 0.00 0.00 34.95 29.28 1xqq s ARG 72 CO 0.19 -1.53 -0.00 -0.51 -0.81 0.00 0.00 175.30 172.63 1xqq s LEU 73 N 5.29 3.51 -0.09 -0.88 1.43 -1.26 -4.77 118.68 121.91 1xqq s LEU 73 Ca 0.60 -0.86 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1xqq s LEU 73 Cb -0.13 -1.75 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1xqq s LEU 73 CO 0.32 -0.17 -0.16 -0.60 0.23 0.00 0.00 176.35 175.98 1xqq s ARG 74 N 1.38 2.22 -0.01 1.70 3.52 -1.26 -5.02 118.95 121.48 1xqq s ARG 74 Ca 0.00 -0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 1xqq s ARG 74 Cb -0.17 -1.81 -0.33 0.00 -1.56 0.00 0.00 34.95 31.08 1xqq s ARG 74 CO -0.02 0.02 0.83 0.78 -0.81 0.00 0.00 175.30 176.10 1xqq h GLY 75 N 7.10 0.53 0.00 8.12 0.00 -2.06 -3.55 103.07 113.21 1xqq h GLY 75 Ca -0.28 -1.34 0.00 0.00 0.00 0.00 0.00 47.33 45.70 1xqq h GLY 75 CO 0.48 1.18 0.00 0.61 0.00 0.00 0.00 176.54 178.81