#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 3.30 0.08 3.17 -2.07 -1.26 -0.80 119.66 122.08 1xqq s GLN 2 Ca 0.00 -0.81 0.02 0.00 -1.82 0.00 0.00 55.36 52.74 1xqq s GLN 2 Cb 0.00 -2.81 -0.04 0.00 -1.09 0.00 0.00 33.01 29.07 1xqq s GLN 2 CO 0.00 0.44 -0.07 0.96 -1.32 0.00 0.00 175.29 175.30 1xqq s ILE 3 N -1.98 0.66 -0.25 3.63 -4.36 0.03 -0.21 121.20 118.72 1xqq s ILE 3 Ca 0.34 -1.71 -0.04 0.00 -0.26 0.00 0.00 60.65 58.98 1xqq s ILE 3 Cb -0.09 -1.40 0.01 0.00 1.25 0.00 0.00 42.46 42.23 1xqq s ILE 3 CO 0.28 -0.74 -0.02 -0.36 0.24 0.00 0.00 174.94 174.34 1xqq s PHE 4 N -3.01 3.03 -0.26 1.37 0.08 -0.62 -2.28 117.98 116.28 1xqq s PHE 4 Ca 0.06 -1.12 -0.12 0.00 0.12 0.00 0.00 56.93 55.87 1xqq s PHE 4 Cb 0.01 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.29 1xqq s PHE 4 CO -0.03 -0.61 0.21 0.08 -0.10 0.00 0.00 175.22 174.77 1xqq s VAL 5 N 1.44 5.31 -0.15 -0.44 1.01 -0.58 -1.56 120.40 125.42 1xqq s VAL 5 Ca 0.03 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.28 1xqq s VAL 5 Cb -0.16 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1xqq s VAL 5 CO -0.02 0.28 -0.17 -0.54 0.00 0.00 0.00 175.10 174.65 1xqq s LYS 6 N 1.50 2.56 0.69 2.72 1.02 0.16 -0.60 119.74 127.78 1xqq s LYS 6 Ca 0.09 -0.66 0.01 0.00 0.02 0.00 0.00 55.97 55.42 1xqq s LYS 6 Cb -0.15 -2.25 0.11 0.00 -0.52 0.00 0.00 37.83 35.02 1xqq s LYS 6 CO 0.08 -0.20 0.95 0.95 -0.92 0.00 0.00 175.35 176.21 1xqq s THR 7 N 1.33 2.20 0.11 2.17 -4.23 -0.90 -0.96 115.64 115.36 1xqq s THR 7 Ca 0.03 -0.64 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1xqq s THR 7 Cb -0.13 -2.56 -0.23 0.00 1.34 0.00 0.00 72.50 70.92 1xqq s THR 7 CO -0.10 0.00 1.25 0.25 -0.54 0.00 0.00 174.62 175.48 1xqq h LEU 8 N -0.38 0.16 0.21 4.79 5.85 -1.91 -3.35 115.31 120.68 1xqq h LEU 8 Ca -0.36 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.18 1xqq h LEU 8 Cb 1.27 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1xqq h LEU 8 CO 0.42 1.11 -0.10 0.71 -0.34 0.00 0.00 178.44 180.23 1xqq h THR 9 N 0.03 0.00 0.00 1.05 1.35 -1.95 -3.48 112.91 109.91 1xqq h THR 9 Ca -0.05 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1xqq h THR 9 Cb 1.81 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1xqq h THR 9 CO 0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1xqq n GLY 10 N 0.87 0.00 3.72 5.82 0.00 -1.26 -5.12 105.19 109.22 1xqq n GLY 10 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 4.39 -0.49 1.61 2.20 -1.26 -4.82 119.74 121.37 1xqq s LYS 11 Ca 0.00 0.70 -0.13 0.00 -0.36 0.00 0.00 55.97 56.19 1xqq s LYS 11 Cb 0.00 -3.44 0.11 0.00 -1.51 0.00 0.00 37.83 32.99 1xqq s LYS 11 CO 0.00 0.12 0.39 0.99 -0.36 0.00 0.00 175.35 176.49 1xqq s THR 12 N 0.66 4.74 -0.11 3.43 2.01 -1.26 -2.11 115.64 123.00 1xqq s THR 12 Ca 0.33 -1.49 -0.16 0.00 0.31 0.00 0.00 61.69 60.67 1xqq s THR 12 Cb -0.17 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1xqq s THR 12 CO 0.15 -0.73 0.42 -0.63 -0.69 0.00 0.00 174.62 173.14 1xqq s ILE 13 N 1.50 5.19 -0.36 1.82 1.01 0.24 -4.92 121.20 125.67 1xqq s ILE 13 Ca 0.04 0.83 -0.28 0.00 0.00 0.00 0.00 60.65 61.24 1xqq s ILE 13 Cb -0.27 -3.75 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1xqq s ILE 13 CO 0.02 0.39 1.06 -0.89 0.00 0.00 0.00 174.94 175.52 1xqq s THR 14 N 0.28 4.46 -0.09 2.92 2.01 -1.26 -1.53 115.64 122.42 1xqq s THR 14 Ca 0.23 1.53 0.01 0.00 0.31 0.00 0.00 61.69 63.77 1xqq s THR 14 Cb -0.15 -4.44 0.02 0.00 0.01 0.00 0.00 72.50 67.94 1xqq s THR 14 CO 0.09 -0.60 -0.12 -0.22 -0.69 0.00 0.00 174.62 173.08 1xqq s LEU 15 N 3.79 1.53 -0.15 4.42 2.96 -0.97 -5.00 118.68 125.25 1xqq s LEU 15 Ca 0.45 -0.34 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1xqq s LEU 15 Cb -0.11 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 1xqq s LEU 15 CO 0.19 -0.02 0.07 -0.70 -1.32 0.00 0.00 176.35 174.57 1xqq s GLU 16 N 1.11 3.72 0.17 1.98 2.12 -1.26 -0.79 118.70 125.74 1xqq s GLU 16 Ca -0.06 -0.30 -0.24 0.00 0.36 0.00 0.00 54.97 54.73 1xqq s GLU 16 Cb -0.14 -3.15 0.06 0.00 0.26 0.00 0.00 34.13 31.15 1xqq s GLU 16 CO -0.02 0.45 0.73 0.14 -0.54 0.00 0.00 175.26 176.02 1xqq s VAL 17 N -0.12 0.00 -0.00 3.70 -7.23 0.02 -4.98 120.40 111.78 1xqq s VAL 17 Ca 0.07 -0.39 0.06 0.00 -1.81 0.00 0.00 61.98 59.91 1xqq s VAL 17 Cb -0.12 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 1xqq s VAL 17 CO 0.01 0.00 -0.18 -1.83 -0.31 0.00 0.00 175.10 172.79 1xqq s GLU 18 N -3.64 1.36 0.32 4.82 -1.05 -1.26 -0.32 118.70 118.93 1xqq s GLU 18 Ca 0.06 -0.68 0.25 0.00 -0.15 0.00 0.00 54.97 54.45 1xqq s GLU 18 Cb -0.03 -1.35 1.12 0.00 -0.44 0.00 0.00 34.13 33.44 1xqq s GLU 18 CO -0.04 0.36 1.75 -1.00 0.95 0.00 0.00 175.26 177.28 1xqq h PRO 19 N 5.51 0.00 0.00 -4.83 0.13 -1.95 -3.12 132.00 127.74 1xqq h PRO 19 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1xqq h PRO 19 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xqq h PRO 19 CO 0.47 0.00 -0.65 0.43 -0.23 0.00 0.00 178.00 178.03 1xqq n SER 20 N -2.36 0.63 -4.99 1.44 7.64 -1.26 -2.01 113.62 112.71 1xqq n SER 20 Ca 0.01 -0.01 -0.19 0.00 1.01 0.00 0.00 58.87 59.69 1xqq n SER 20 Cb 0.18 0.27 0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1xqq n SER 20 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xqq s ASP 21 N -3.87 5.44 0.66 6.43 -1.08 -1.18 -4.88 116.67 118.19 1xqq s ASP 21 Ca 0.07 -0.24 -0.03 0.00 -0.52 0.00 0.00 52.55 51.83 1xqq s ASP 21 Cb 0.15 -0.72 0.07 0.00 -1.46 0.00 0.00 42.92 40.96 1xqq s ASP 21 CO 0.72 -0.97 0.94 0.42 0.52 0.00 0.00 175.17 176.80 1xqq s THR 22 N -2.56 2.38 0.30 1.71 -4.23 -1.26 -3.33 115.64 108.64 1xqq s THR 22 Ca 0.56 -0.47 0.11 0.00 -1.18 0.00 0.00 61.69 60.71 1xqq s THR 22 Cb -0.10 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.85 1xqq s THR 22 CO 0.36 0.00 1.67 0.40 -0.54 0.00 0.00 174.62 176.51 1xqq h ILE 23 N -0.39 1.39 -1.01 2.99 1.08 -1.12 -1.62 117.51 118.83 1xqq h ILE 23 Ca -0.42 -1.85 0.24 0.00 -0.39 0.00 0.00 64.86 62.44 1xqq h ILE 23 Cb 1.29 1.99 -0.11 0.00 -3.07 0.00 0.00 36.82 36.92 1xqq h ILE 23 CO 0.52 0.53 0.62 -0.08 -0.69 0.00 0.00 178.15 179.04 1xqq h GLU 24 N 0.01 0.55 -0.09 2.37 4.57 -1.53 0.36 114.58 120.81 1xqq h GLU 24 Ca -0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1xqq h GLU 24 Cb 0.96 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1xqq h GLU 24 CO 0.07 0.36 0.02 -0.97 -1.18 0.00 0.00 179.01 177.32 1xqq h ASN 25 N 0.56 0.14 -0.63 1.04 -0.73 -1.62 -2.77 115.58 111.58 1xqq h ASN 25 Ca 0.62 -0.23 0.06 0.00 1.87 0.00 0.00 56.30 58.62 1xqq h ASN 25 Cb 1.24 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 39.74 1xqq h ASN 25 CO -0.41 0.33 0.34 0.58 -0.37 0.00 0.00 177.43 177.90 1xqq h VAL 26 N -0.06 0.95 -0.84 2.57 2.07 -0.90 -2.81 116.25 117.23 1xqq h VAL 26 Ca 0.03 -0.22 0.16 0.00 0.82 0.00 0.00 66.70 67.49 1xqq h VAL 26 Cb 0.25 0.27 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1xqq h VAL 26 CO 0.00 0.11 0.55 0.50 0.02 0.00 0.00 177.57 178.76 1xqq h LYS 27 N 0.63 0.51 0.00 1.57 3.64 -0.29 -2.85 116.57 119.79 1xqq h LYS 27 Ca 0.28 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1xqq h LYS 27 Cb 0.18 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1xqq h LYS 27 CO -0.18 0.34 -0.10 0.00 -2.27 0.00 0.00 179.45 177.24 1xqq h ALA 28 N 1.62 1.01 0.05 5.00 0.00 -1.21 -2.36 119.26 123.37 1xqq h ALA 28 Ca 0.42 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.96 1xqq h ALA 28 Cb 0.86 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1xqq h ALA 28 CO -0.17 0.12 -1.55 0.87 0.00 0.00 0.00 179.25 178.52 1xqq h LYS 29 N 0.00 0.10 0.02 0.00 1.57 -1.58 -2.61 116.57 114.07 1xqq h LYS 29 Ca -0.00 -0.17 -0.21 0.00 -1.87 0.00 0.00 60.65 58.40 1xqq h LYS 29 Cb 0.65 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1xqq h LYS 29 CO 0.01 0.84 -0.93 0.82 -0.57 0.00 0.00 179.45 179.62 1xqq h ILE 30 N 0.03 1.50 -0.86 1.86 2.04 -1.45 -1.32 117.51 119.31 1xqq h ILE 30 Ca -0.23 -2.72 0.14 0.00 1.00 0.00 0.00 64.86 63.06 1xqq h ILE 30 Cb 1.97 2.55 -0.07 0.00 -0.74 0.00 0.00 36.82 40.53 1xqq h ILE 30 CO 0.11 0.79 0.56 -0.61 0.00 0.00 0.00 178.15 179.01 1xqq h GLN 31 N 0.11 0.61 0.00 2.37 4.15 -1.44 -1.77 115.11 119.14 1xqq h GLN 31 Ca -0.05 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 1xqq h GLN 31 Cb 1.59 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1xqq h GLN 31 CO 0.14 0.41 -0.41 -0.44 -1.93 0.00 0.00 178.83 176.60 1xqq h ASP 32 N 0.63 0.00 0.00 -0.69 3.32 -1.21 -3.29 116.42 115.18 1xqq h ASP 32 Ca 0.43 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xqq h ASP 32 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1xqq h ASP 32 CO -0.19 0.93 0.00 0.29 -1.72 0.00 0.00 179.24 178.55 1xqq n LYS 33 N -4.62 0.00 -0.18 3.56 4.76 -0.52 -4.06 118.16 117.11 1xqq n LYS 33 Ca -0.12 0.31 -0.01 0.00 -2.87 0.00 0.00 58.31 55.62 1xqq n LYS 33 Cb 0.35 -1.03 0.23 0.00 -1.84 0.00 0.00 35.03 32.74 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1xqq h GLU 34 N 0.00 0.91 -0.01 1.97 4.39 -1.72 -3.48 114.58 116.65 1xqq h GLU 34 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1xqq h GLU 34 Cb 0.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1xqq h GLU 34 CO 0.00 0.68 0.00 0.41 -1.16 0.00 0.00 179.01 178.94 1xqq n GLY 35 N -1.21 1.26 3.68 -3.84 0.00 -0.69 -5.03 105.19 99.38 1xqq n GLY 35 Ca 0.06 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.01 4.99 0.58 -0.61 -1.09 -1.16 -4.97 121.20 116.94 1xqq s ILE 36 Ca 0.00 1.38 -0.08 0.00 -2.23 0.00 0.00 60.65 59.72 1xqq s ILE 36 Cb 0.00 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1xqq s ILE 36 CO 0.00 0.13 0.93 -2.16 -1.23 0.00 0.00 174.94 172.61 1xqq s PRO 37 N 1.62 3.29 0.05 2.79 0.04 -1.26 -3.60 135.00 137.94 1xqq s PRO 37 Ca 0.34 0.34 0.26 0.00 0.04 0.00 0.00 61.00 61.98 1xqq s PRO 37 Cb -0.17 -2.21 0.68 0.00 0.04 0.00 0.00 34.50 32.84 1xqq s PRO 37 CO 0.13 -0.56 1.56 -0.35 0.04 0.00 0.00 177.00 177.82 1xqq n PRO 38 N -2.59 0.11 0.00 0.56 -0.04 -1.26 -1.78 135.00 129.99 1xqq n PRO 38 Ca 0.04 0.05 0.14 0.00 -0.04 0.00 0.00 63.50 63.68 1xqq n PRO 38 Cb 0.56 -1.58 0.54 0.00 -0.04 0.00 0.00 33.50 32.98 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xqq n ASP 39 N -1.74 0.69 -0.82 3.54 5.75 -1.26 -3.96 116.55 118.75 1xqq n ASP 39 Ca 0.05 -0.72 0.08 0.00 -0.01 0.00 0.00 54.79 54.19 1xqq n ASP 39 Cb 0.37 -0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.62 1xqq n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xqq n GLN 40 N -0.80 2.19 -3.31 0.11 6.02 -0.74 -4.04 117.38 116.81 1xqq n GLN 40 Ca 0.14 -1.97 -0.46 0.00 -0.01 0.00 0.00 57.00 54.71 1xqq n GLN 40 Cb 0.30 -1.36 -0.06 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.14 2.99 -0.42 -1.09 -0.21 -1.25 -1.63 119.66 116.92 1xqq s GLN 41 Ca 0.28 -1.60 -0.16 0.00 0.02 0.00 0.00 55.36 53.90 1xqq s GLN 41 Cb 0.16 -4.26 0.02 0.00 1.00 0.00 0.00 33.01 29.93 1xqq s GLN 41 CO 0.22 -1.28 0.34 0.50 -2.12 0.00 0.00 175.29 172.95 1xqq s ARG 42 N 1.70 3.00 -0.13 2.91 3.52 -0.91 -4.72 118.95 124.31 1xqq s ARG 42 Ca 0.04 -0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 54.62 1xqq s ARG 42 Cb -0.28 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 1xqq s ARG 42 CO 0.04 -0.79 0.06 -0.51 -0.81 0.00 0.00 175.30 173.29 1xqq s LEU 43 N 1.80 3.88 -0.10 -0.88 1.43 -1.26 -1.08 118.68 122.46 1xqq s LEU 43 Ca 0.07 0.21 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1xqq s LEU 43 Cb -0.19 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1xqq s LEU 43 CO 0.11 0.31 -0.19 -0.63 0.23 0.00 0.00 176.35 176.17 1xqq s ILE 44 N -0.46 2.51 -0.15 -0.59 -1.09 -0.57 -2.14 121.20 118.71 1xqq s ILE 44 Ca 0.10 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1xqq s ILE 44 Cb -0.12 -1.99 -0.00 0.00 -1.58 0.00 0.00 42.46 38.77 1xqq s ILE 44 CO 0.02 0.55 -0.16 0.12 -1.23 0.00 0.00 174.94 174.24 1xqq s PHE 45 N 0.15 2.77 0.00 3.97 5.36 -0.02 -1.21 117.98 129.01 1xqq s PHE 45 Ca -0.10 -1.05 0.00 0.00 -0.96 0.00 0.00 56.93 54.82 1xqq s PHE 45 Cb -0.16 -1.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.64 1xqq s PHE 45 CO 0.06 -0.47 0.00 0.00 -1.46 0.00 0.00 175.22 173.35 1xqq n ALA 46 N 4.03 0.00 -2.89 11.12 0.00 -1.26 -1.28 120.51 130.23 1xqq n ALA 46 Ca -0.19 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.02 1xqq n ALA 46 Cb 0.52 0.00 -0.02 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 4.79 3.11 0.00 0.00 -1.26 -5.04 105.19 106.79 1xqq n GLY 47 Ca 0.00 -2.37 -0.12 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.20 0.41 -0.13 1.61 2.20 -0.40 -5.15 119.74 115.08 1xqq s LYS 48 Ca 0.44 -0.13 -0.16 0.00 -0.36 0.00 0.00 55.97 55.76 1xqq s LYS 48 Cb 0.34 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.79 1xqq s LYS 48 CO -0.12 -0.09 0.41 -1.14 -0.36 0.00 0.00 175.35 174.05 1xqq s GLN 49 N -0.82 4.28 -0.36 4.03 0.74 -1.26 -0.84 119.66 125.43 1xqq s GLN 49 Ca -0.09 0.32 -0.23 0.00 0.05 0.00 0.00 55.36 55.41 1xqq s GLN 49 Cb -0.05 -3.42 0.01 0.00 1.10 0.00 0.00 33.01 30.65 1xqq s GLN 49 CO 0.01 0.22 0.79 -0.51 -0.55 0.00 0.00 175.29 175.25 1xqq s LEU 50 N 0.46 4.12 0.25 3.68 1.43 -0.91 -4.95 118.68 122.77 1xqq s LEU 50 Ca 0.22 0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1xqq s LEU 50 Cb -0.14 -3.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 1xqq s LEU 50 CO 0.08 -0.73 0.50 -1.61 0.23 0.00 0.00 176.35 174.82 1xqq s GLU 51 N 3.11 3.64 0.17 1.70 2.02 -1.26 -4.80 118.70 123.27 1xqq s GLU 51 Ca 0.32 -0.02 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 1xqq s GLU 51 Cb -0.13 -2.70 0.12 0.00 0.10 0.00 0.00 34.13 31.51 1xqq s GLU 51 CO 0.17 0.29 1.68 -0.44 0.02 0.00 0.00 175.26 176.98 1xqq h ASP 52 N 2.01 -0.26 -0.22 -0.19 3.32 -1.96 -2.75 116.42 116.37 1xqq h ASP 52 Ca -0.47 0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1xqq h ASP 52 Cb 1.18 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1xqq h ASP 52 CO 0.68 -0.09 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 1xqq n GLY 53 N -1.29 0.63 3.90 2.75 0.00 -1.26 -1.50 105.19 108.42 1xqq n GLY 53 Ca 0.03 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.72 3.01 0.48 1.61 1.81 -1.04 -4.87 118.95 118.23 1xqq s ARG 54 Ca 0.33 0.23 0.08 0.00 -1.72 0.00 0.00 55.73 54.66 1xqq s ARG 54 Cb 0.19 -2.18 0.03 0.00 -0.45 0.00 0.00 34.95 32.54 1xqq s ARG 54 CO 0.27 -0.76 0.58 0.95 -0.68 0.00 0.00 175.30 175.66 1xqq s THR 55 N -3.11 2.51 0.10 0.02 -4.23 -1.26 -1.14 115.64 108.54 1xqq s THR 55 Ca 0.55 -1.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.01 1xqq s THR 55 Cb -0.11 -2.65 -0.17 0.00 1.34 0.00 0.00 72.50 70.92 1xqq s THR 55 CO 0.48 0.00 1.32 -0.07 -0.54 0.00 0.00 174.62 175.81 1xqq h LEU 56 N 0.60 0.00 -1.61 4.79 3.38 -1.61 -3.24 115.31 117.63 1xqq h LEU 56 Ca -0.37 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1xqq h LEU 56 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1xqq h LEU 56 CO 0.48 0.92 -0.22 0.77 0.09 0.00 0.00 178.44 180.48 1xqq h SER 57 N 0.00 0.00 0.43 -0.43 4.64 -1.69 0.11 113.55 116.62 1xqq h SER 57 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1xqq h SER 57 Cb 1.68 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.75 1xqq h SER 57 CO 0.12 0.22 -0.34 -0.78 -0.87 0.00 0.00 176.83 175.18 1xqq h ASP 58 N 0.00 -0.88 -0.04 4.97 1.82 -1.86 -2.77 116.42 117.65 1xqq h ASP 58 Ca -0.00 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 1xqq h ASP 58 Cb 0.44 0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.73 1xqq h ASP 58 CO 0.03 -0.50 0.00 -1.22 -1.61 0.00 0.00 179.24 175.94 1xqq n TYR 59 N -5.46 0.05 -3.68 0.28 4.01 -1.17 -4.92 117.16 106.28 1xqq n TYR 59 Ca -0.11 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.31 1xqq n TYR 59 Cb 0.36 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.42 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 -0.47 -5.39 -4.59 7.72 4.13 -1.05 -4.96 115.26 110.65 1xqq n ASN 60 Ca 0.16 -0.97 -0.41 0.00 1.68 0.00 0.00 54.58 55.04 1xqq n ASN 60 Cb 0.16 -3.24 -0.06 0.00 -1.54 0.00 0.00 39.78 35.10 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 -3.39 4.89 0.00 2.41 1.01 0.38 -4.99 121.20 121.51 1xqq s ILE 61 Ca 0.41 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.86 1xqq s ILE 61 Cb -0.15 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1xqq s ILE 61 CO 0.87 -0.23 0.00 0.00 0.00 0.00 0.00 174.94 175.58 1xqq n GLN 62 N 6.01 1.38 -2.58 2.79 6.02 -1.26 -4.72 117.38 125.02 1xqq n GLN 62 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 1xqq n GLN 62 Cb 0.49 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.70 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 -0.98 4.01 -0.82 -1.09 -2.85 -1.26 -4.02 119.74 112.73 1xqq s LYS 63 Ca 0.00 1.39 -0.18 0.00 -1.00 0.00 0.00 55.97 56.18 1xqq s LYS 63 Cb 0.00 -2.30 0.02 0.00 -2.06 0.00 0.00 37.83 33.50 1xqq s LYS 63 CO 0.00 -0.25 0.49 0.39 0.10 0.00 0.00 175.35 176.08 1xqq n GLU 64 N -0.54 -0.67 -4.70 1.78 1.02 0.70 -4.96 120.64 113.27 1xqq n GLU 64 Ca 0.07 0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 57.06 1xqq n GLU 64 Cb 0.51 -1.64 -0.14 0.00 -0.02 0.00 0.00 31.44 30.16 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 -3.48 3.17 -0.23 1.62 0.15 -1.26 -4.77 113.70 108.91 1xqq s SER 65 Ca 0.24 -0.65 -0.29 0.00 0.70 0.00 0.00 55.95 55.96 1xqq s SER 65 Cb -0.14 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1xqq s SER 65 CO 0.72 0.22 1.15 -0.89 1.20 0.00 0.00 173.24 175.64 1xqq s THR 66 N -0.90 4.47 -0.15 6.45 2.01 -1.26 -1.60 115.64 124.67 1xqq s THR 66 Ca 0.12 1.76 -0.04 0.00 0.31 0.00 0.00 61.69 63.83 1xqq s THR 66 Cb -0.10 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1xqq s THR 66 CO 0.03 -0.23 0.00 -0.76 -0.69 0.00 0.00 174.62 172.97 1xqq s LEU 67 N 3.48 3.49 0.16 4.42 1.02 -0.60 -4.63 118.68 126.02 1xqq s LEU 67 Ca 0.49 -0.01 -0.23 0.00 0.02 0.00 0.00 54.13 54.41 1xqq s LEU 67 Cb -0.17 -1.85 -0.08 0.00 0.02 0.00 0.00 46.19 44.12 1xqq s LEU 67 CO 0.12 0.21 0.72 -2.28 0.02 0.00 0.00 176.35 175.14 1xqq s HIS 68 N 0.11 3.82 -0.12 0.29 2.46 -0.35 -0.67 115.29 120.83 1xqq s HIS 68 Ca 0.02 1.50 0.03 0.00 0.47 0.00 0.00 55.06 57.07 1xqq s HIS 68 Cb -0.13 -2.67 0.00 0.00 -0.13 0.00 0.00 32.58 29.65 1xqq s HIS 68 CO 0.02 0.48 -0.22 -1.17 -2.47 0.00 0.00 174.74 171.39 1xqq s LEU 69 N -1.37 2.17 0.00 8.88 2.96 -0.14 -1.51 118.68 129.68 1xqq s LEU 69 Ca 0.36 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.72 1xqq s LEU 69 Cb -0.21 -1.45 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1xqq s LEU 69 CO 0.23 0.12 0.00 1.33 -1.32 0.00 0.00 176.35 176.71 1xqq n VAL 70 N 3.80 0.00 -3.60 1.68 0.24 -0.24 -3.72 118.33 116.48 1xqq n VAL 70 Ca -0.19 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.74 1xqq n VAL 70 Cb 0.52 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.81 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.16 -0.07 1.34 2.96 -1.26 -2.15 118.68 123.67 1xqq s LEU 71 Ca 0.00 0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 54.13 1xqq s LEU 71 Cb 0.00 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 1xqq s LEU 71 CO 0.00 0.07 0.18 -0.60 -1.32 0.00 0.00 176.35 174.67 1xqq s ARG 72 N 0.86 3.47 0.12 1.98 3.52 -0.65 -4.56 118.95 123.70 1xqq s ARG 72 Ca 0.11 -0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.57 1xqq s ARG 72 Cb -0.13 -3.15 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1xqq s ARG 72 CO 0.04 0.73 0.23 -0.51 -0.81 0.00 0.00 175.30 174.97 1xqq s LEU 73 N -1.39 4.23 0.39 -0.88 1.02 -1.26 -4.06 118.68 116.73 1xqq s LEU 73 Ca 0.20 0.14 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 1xqq s LEU 73 Cb -0.12 -2.82 -0.05 0.00 0.02 0.00 0.00 46.19 43.21 1xqq s LEU 73 CO 0.10 0.09 0.72 0.00 0.02 0.00 0.00 176.35 177.28 1xqq s ARG 74 N -2.96 3.68 0.00 1.70 1.70 -1.26 -4.59 118.95 117.22 1xqq s ARG 74 Ca 0.34 0.27 0.00 0.00 -0.47 0.00 0.00 55.73 55.87 1xqq s ARG 74 Cb -0.11 -2.46 0.00 0.00 -0.57 0.00 0.00 34.95 31.81 1xqq s ARG 74 CO 0.27 -0.01 0.00 0.41 -1.08 0.00 0.00 175.30 174.89 1xqq n GLY 75 N -1.46 0.56 0.00 3.88 0.00 -1.26 -5.20 105.19 101.70 1xqq n GLY 75 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93