#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 4.06 0.33 3.17 -0.21 -1.26 -0.77 119.66 124.98 1xqq s GLN 2 Ca 0.00 0.04 0.08 0.00 0.02 0.00 0.00 55.36 55.50 1xqq s GLN 2 Cb 0.00 -3.61 -0.04 0.00 1.00 0.00 0.00 33.01 30.36 1xqq s GLN 2 CO 0.00 -0.18 0.19 0.96 -2.12 0.00 0.00 175.29 174.14 1xqq s ILE 3 N 1.77 3.24 -0.34 1.08 -4.36 -0.58 0.54 121.20 122.55 1xqq s ILE 3 Ca 0.15 -1.58 -0.01 0.00 -0.26 0.00 0.00 60.65 58.94 1xqq s ILE 3 Cb -0.15 -3.06 0.07 0.00 1.25 0.00 0.00 42.46 40.57 1xqq s ILE 3 CO 0.09 -0.19 0.07 -0.36 0.24 0.00 0.00 174.94 174.79 1xqq s PHE 4 N -2.37 3.42 -0.16 1.37 0.08 0.43 -2.39 117.98 118.36 1xqq s PHE 4 Ca 0.39 -2.17 -0.23 0.00 0.12 0.00 0.00 56.93 55.03 1xqq s PHE 4 Cb -0.04 -2.54 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 1xqq s PHE 4 CO 0.24 -0.87 0.73 0.08 -0.10 0.00 0.00 175.22 175.30 1xqq s VAL 5 N 1.18 4.96 -0.13 -0.44 1.01 0.38 -0.69 120.40 126.67 1xqq s VAL 5 Ca 0.01 1.43 -0.04 0.00 0.00 0.00 0.00 61.98 63.38 1xqq s VAL 5 Cb -0.21 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1xqq s VAL 5 CO -0.03 0.10 0.01 -0.54 0.00 0.00 0.00 175.10 174.65 1xqq s LYS 6 N 1.79 3.45 0.71 2.72 -0.14 -0.04 -0.86 119.74 127.36 1xqq s LYS 6 Ca 0.35 -0.41 -0.11 0.00 -1.36 0.00 0.00 55.97 54.44 1xqq s LYS 6 Cb -0.16 -2.95 0.01 0.00 -1.68 0.00 0.00 37.83 33.05 1xqq s LYS 6 CO 0.13 0.47 1.07 0.95 -0.76 0.00 0.00 175.35 177.20 1xqq s THR 7 N -0.22 3.90 0.31 2.17 -4.23 -1.21 -0.69 115.64 115.66 1xqq s THR 7 Ca 0.06 0.62 -0.00 0.00 -1.18 0.00 0.00 61.69 61.18 1xqq s THR 7 Cb -0.12 -3.40 0.27 0.00 1.34 0.00 0.00 72.50 70.59 1xqq s THR 7 CO 0.02 -0.80 1.96 0.25 -0.54 0.00 0.00 174.62 175.51 1xqq h LEU 8 N -0.74 0.90 0.33 4.79 5.85 -1.95 -3.17 115.31 121.31 1xqq h LEU 8 Ca -0.44 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1xqq h LEU 8 Cb 1.22 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1xqq h LEU 8 CO 0.58 0.63 -0.16 0.71 -0.34 0.00 0.00 178.44 179.86 1xqq h THR 9 N 1.05 0.00 0.00 1.05 1.35 -1.97 -3.49 112.91 110.90 1xqq h THR 9 Ca 0.31 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1xqq h THR 9 Cb -0.03 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.39 1xqq h THR 9 CO -0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.80 1xqq n GLY 10 N -0.05 -0.10 3.87 5.82 0.00 -1.20 -5.16 105.19 108.37 1xqq n GLY 10 Ca -0.05 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N 0.00 3.08 -0.28 1.61 -2.85 -1.26 -4.97 119.74 115.07 1xqq s LYS 11 Ca 0.00 -0.97 -0.19 0.00 -1.00 0.00 0.00 55.97 53.81 1xqq s LYS 11 Cb 0.00 -2.66 -0.02 0.00 -2.06 0.00 0.00 37.83 33.09 1xqq s LYS 11 CO 0.00 0.40 0.58 0.99 0.10 0.00 0.00 175.35 177.43 1xqq s THR 12 N -2.09 5.00 -0.29 3.79 2.01 -1.26 -3.29 115.64 119.51 1xqq s THR 12 Ca 0.33 0.93 -0.13 0.00 0.31 0.00 0.00 61.69 63.13 1xqq s THR 12 Cb -0.08 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 1xqq s THR 12 CO 0.26 -0.01 0.30 -0.63 -0.69 0.00 0.00 174.62 173.84 1xqq s ILE 13 N 2.46 5.23 -0.43 1.82 1.01 -0.04 -4.99 121.20 126.26 1xqq s ILE 13 Ca 0.24 0.31 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 1xqq s ILE 13 Cb -0.15 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.70 1xqq s ILE 13 CO 0.10 0.15 0.37 -0.89 0.00 0.00 0.00 174.94 174.67 1xqq s THR 14 N 1.93 5.20 -0.28 2.92 2.01 -1.26 -0.47 115.64 125.68 1xqq s THR 14 Ca 0.11 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1xqq s THR 14 Cb -0.16 -4.02 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 1xqq s THR 14 CO 0.11 -0.42 0.08 -0.76 -0.69 0.00 0.00 174.62 172.93 1xqq s LEU 15 N 1.82 3.71 -0.40 4.42 1.43 -1.00 -4.95 118.68 123.71 1xqq s LEU 15 Ca 0.07 -0.50 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1xqq s LEU 15 Cb -0.20 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1xqq s LEU 15 CO 0.10 -0.13 1.20 -1.61 0.23 0.00 0.00 176.35 176.14 1xqq s GLU 16 N 1.55 3.81 0.12 1.70 2.02 -1.26 -1.52 118.70 125.12 1xqq s GLU 16 Ca 0.04 0.87 0.03 0.00 0.02 0.00 0.00 54.97 55.94 1xqq s GLU 16 Cb -0.16 -3.89 -0.04 0.00 0.10 0.00 0.00 34.13 30.14 1xqq s GLU 16 CO 0.03 -1.26 -0.09 0.14 0.02 0.00 0.00 175.26 174.10 1xqq s VAL 17 N 4.44 0.95 0.14 2.63 -7.23 0.05 -4.89 120.40 116.49 1xqq s VAL 17 Ca 0.51 -1.87 0.09 0.00 -1.81 0.00 0.00 61.98 58.90 1xqq s VAL 17 Cb -0.11 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1xqq s VAL 17 CO 0.27 -0.72 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.58 1xqq s GLU 18 N -3.43 1.87 0.31 4.82 2.02 -1.26 0.75 118.70 123.79 1xqq s GLU 18 Ca 0.11 -1.23 0.26 0.00 0.02 0.00 0.00 54.97 54.13 1xqq s GLU 18 Cb 0.01 -2.12 0.84 0.00 0.10 0.00 0.00 34.13 32.97 1xqq s GLU 18 CO -0.01 0.46 1.76 -1.35 0.02 0.00 0.00 175.26 176.14 1xqq h PRO 19 N 3.42 0.00 0.00 0.39 0.11 -1.96 0.09 132.00 134.05 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xqq h PRO 19 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xqq h PRO 19 CO 0.49 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.71 1xqq n SER 20 N -2.52 0.70 -4.79 -2.05 7.64 -1.26 -2.47 113.62 108.87 1xqq n SER 20 Ca 0.04 0.67 -0.35 0.00 1.01 0.00 0.00 58.87 60.23 1xqq n SER 20 Cb 0.38 -0.82 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 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 -4.31 7.00 0.79 6.43 1.01 0.01 -4.87 116.67 122.74 1xqq s ASP 21 Ca 0.04 1.86 -0.12 0.00 0.71 0.00 0.00 52.55 55.04 1xqq s ASP 21 Cb 0.09 -2.57 0.07 0.00 1.01 0.00 0.00 42.92 41.52 1xqq s ASP 21 CO 0.41 -0.32 1.14 0.42 0.21 0.00 0.00 175.17 177.03 1xqq s THR 22 N -1.81 2.54 0.21 -1.27 -4.23 -1.26 -3.02 115.64 106.79 1xqq s THR 22 Ca 0.57 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1xqq s THR 22 Cb -0.17 -3.11 0.14 0.00 1.34 0.00 0.00 72.50 70.70 1xqq s THR 22 CO 0.21 -0.23 1.75 0.40 -0.54 0.00 0.00 174.62 176.22 1xqq h ILE 23 N -1.01 1.26 -1.00 2.99 1.08 -0.74 -2.27 117.51 117.83 1xqq h ILE 23 Ca -0.46 -0.91 0.20 0.00 -0.39 0.00 0.00 64.86 63.29 1xqq h ILE 23 Cb 1.30 0.43 -0.10 0.00 -3.07 0.00 0.00 36.82 35.38 1xqq h ILE 23 CO 0.64 0.36 0.61 -0.08 -0.69 0.00 0.00 178.15 178.99 1xqq h GLU 24 N 1.12 0.70 -0.91 2.37 4.81 -1.44 -1.59 114.58 119.64 1xqq h GLU 24 Ca 0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1xqq h GLU 24 Cb 0.30 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1xqq h GLU 24 CO -0.01 0.46 0.59 -0.97 -0.73 0.00 0.00 179.01 178.36 1xqq h ASN 25 N 0.72 0.92 0.22 1.04 -1.24 -1.70 0.11 115.58 115.65 1xqq h ASN 25 Ca 0.58 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.60 1xqq h ASN 25 Cb 0.95 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.79 1xqq h ASN 25 CO -0.37 0.59 -0.25 0.58 -1.29 0.00 0.00 177.43 176.70 1xqq h VAL 26 N 1.04 0.47 -0.83 2.57 2.07 -1.17 -1.68 116.25 118.72 1xqq h VAL 26 Ca 0.39 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.99 1xqq h VAL 26 Cb 0.18 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.36 1xqq h VAL 26 CO -0.14 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.10 1xqq h LYS 27 N -0.51 0.81 -0.08 1.57 1.57 -1.17 -1.43 116.57 117.34 1xqq h LYS 27 Ca 0.00 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 1xqq h LYS 27 Cb 0.48 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1xqq h LYS 27 CO -0.07 0.54 -0.50 0.00 -0.57 0.00 0.00 179.45 178.85 1xqq h ALA 28 N 1.57 1.03 0.00 3.86 0.00 -0.30 0.03 119.26 125.45 1xqq h ALA 28 Ca 0.38 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1xqq h ALA 28 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1xqq h ALA 28 CO -0.15 0.65 -0.81 0.87 0.00 0.00 0.00 179.25 179.82 1xqq h LYS 29 N 0.16 0.00 -0.80 0.00 1.57 -1.03 0.74 116.57 117.20 1xqq h LYS 29 Ca 0.01 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1xqq h LYS 29 Cb 0.93 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 1xqq h LYS 29 CO 0.07 0.78 0.51 0.82 -0.57 0.00 0.00 179.45 181.07 1xqq h ILE 30 N 0.00 1.12 0.00 1.86 2.04 -1.03 -2.63 117.51 118.87 1xqq h ILE 30 Ca -0.01 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1xqq h ILE 30 Cb 1.61 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1xqq h ILE 30 CO 0.10 0.18 -0.12 -0.61 0.00 0.00 0.00 178.15 177.70 1xqq h GLN 31 N 1.00 0.00 0.74 2.37 4.15 -0.27 0.34 115.11 123.44 1xqq h GLN 31 Ca 0.32 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 1xqq h GLN 31 Cb 0.01 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.71 1xqq h GLN 31 CO -0.11 0.12 -0.36 0.22 -1.93 0.00 0.00 178.83 176.77 1xqq h ASP 32 N 0.00 -0.84 0.24 -0.69 3.58 -0.87 -3.27 116.42 114.57 1xqq h ASP 32 Ca -0.00 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1xqq h ASP 32 Cb 0.35 0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1xqq h ASP 32 CO 0.02 -0.47 -0.12 0.11 -2.88 0.00 0.00 179.24 175.90 1xqq h LYS 33 N -1.25 -0.31 0.00 0.28 1.57 -1.19 -3.43 116.57 112.23 1xqq h LYS 33 Ca -0.10 0.02 -0.22 0.00 -1.87 0.00 0.00 60.65 58.48 1xqq h LYS 33 Cb 0.77 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 1xqq h LYS 33 CO 0.17 -0.00 -1.43 0.39 -0.57 0.00 0.00 179.45 178.01 1xqq n GLU 34 N -4.99 0.54 0.00 3.15 -0.58 0.12 -5.04 120.64 113.84 1xqq n GLU 34 Ca -0.07 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 1xqq n GLU 34 Cb 0.23 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 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 1.42 0.34 3.70 0.62 0.00 -1.01 -4.99 105.19 105.28 1xqq n GLY 35 Ca -0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.25 3.30 0.66 -0.61 1.01 -1.26 -4.88 121.20 118.17 1xqq s ILE 36 Ca 0.00 0.84 -0.15 0.00 0.00 0.00 0.00 60.65 61.34 1xqq s ILE 36 Cb 0.00 -3.54 -0.00 0.00 0.01 0.00 0.00 42.46 38.93 1xqq s ILE 36 CO 0.00 0.03 1.10 -2.84 0.00 0.00 0.00 174.94 173.23 1xqq s PRO 37 N 1.81 2.84 0.24 2.79 0.02 -1.26 -3.75 135.00 137.68 1xqq s PRO 37 Ca 0.67 1.33 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 1xqq s PRO 37 Cb -0.37 -1.96 0.23 0.00 0.02 0.00 0.00 34.50 32.43 1xqq s PRO 37 CO 0.30 -1.21 1.83 -1.35 -0.33 0.00 0.00 177.00 176.23 1xqq h PRO 38 N -0.03 1.17 0.00 5.54 0.11 -1.91 -2.26 132.00 134.61 1xqq h PRO 38 Ca -0.46 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1xqq h PRO 38 Cb 1.24 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xqq h PRO 38 CO 0.54 0.90 0.00 -0.25 -0.21 0.00 0.00 178.00 178.99 1xqq n ASP 39 N -4.30 0.00 -0.06 -2.05 8.00 -1.26 -3.05 116.55 113.82 1xqq n ASP 39 Ca 0.08 0.41 -0.12 0.00 0.71 0.00 0.00 54.79 55.87 1xqq n ASP 39 Cb 0.15 -0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 40.67 1xqq n ASP 39 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1xqq n GLN 40 N -1.43 0.67 -4.13 -1.24 -0.06 -0.86 -4.92 117.38 105.40 1xqq n GLN 40 Ca 0.02 0.17 -0.27 0.00 -2.00 0.00 0.00 57.00 54.92 1xqq n GLN 40 Cb 0.06 -1.66 -0.07 0.00 -4.06 0.00 0.00 30.24 24.51 1xqq n GLN 40 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1xqq s GLN 41 N -2.55 2.68 0.18 3.69 -2.07 -1.17 -0.45 119.66 119.97 1xqq s GLN 41 Ca -0.12 -0.96 0.02 0.00 -1.82 0.00 0.00 55.36 52.48 1xqq s GLN 41 Cb 0.07 -2.52 -0.05 0.00 -1.09 0.00 0.00 33.01 29.42 1xqq s GLN 41 CO 0.80 0.48 -0.00 1.03 -1.32 0.00 0.00 175.29 176.27 1xqq s ARG 42 N -2.96 1.12 -0.08 9.60 0.52 0.01 -4.91 118.95 122.25 1xqq s ARG 42 Ca 0.29 -1.54 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 1xqq s ARG 42 Cb -0.10 -0.29 -0.02 0.00 0.52 0.00 0.00 34.95 35.05 1xqq s ARG 42 CO 0.21 -0.12 -0.12 -0.51 0.02 0.00 0.00 175.30 174.77 1xqq s LEU 43 N -3.18 2.82 -0.18 2.53 1.43 -1.26 -2.10 118.68 118.74 1xqq s LEU 43 Ca 0.24 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1xqq s LEU 43 Cb 0.06 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1xqq s LEU 43 CO 0.04 0.29 -0.13 -0.63 0.23 0.00 0.00 176.35 176.15 1xqq s ILE 44 N -0.38 2.75 -0.30 -0.59 1.01 -0.68 -1.18 121.20 121.84 1xqq s ILE 44 Ca 0.04 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1xqq s ILE 44 Cb -0.12 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.20 1xqq s ILE 44 CO 0.02 0.49 0.01 0.12 0.00 0.00 0.00 174.94 175.59 1xqq s PHE 45 N 1.11 3.22 0.00 3.97 5.36 0.02 -1.41 117.98 130.25 1xqq s PHE 45 Ca 0.00 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.28 1xqq s PHE 45 Cb -0.14 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1xqq s PHE 45 CO -0.04 -0.77 0.00 0.00 -1.46 0.00 0.00 175.22 172.95 1xqq n ALA 46 N 4.67 0.00 -1.08 11.12 0.00 -1.26 -1.70 120.51 132.26 1xqq n ALA 46 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1xqq n ALA 46 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.35 3.46 0.00 0.00 -1.26 -5.06 105.19 99.98 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 0.00 3.65 -0.21 1.61 2.20 -0.69 -5.07 119.74 121.24 1xqq s LYS 48 Ca 0.00 -0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 54.84 1xqq s LYS 48 Cb 0.00 -3.15 -0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1xqq s LYS 48 CO 0.00 -0.02 0.94 -0.65 -0.36 0.00 0.00 175.35 175.26 1xqq s GLN 49 N 1.12 4.27 0.43 4.03 -0.21 -1.26 -0.80 119.66 127.24 1xqq s GLN 49 Ca 0.03 1.19 -0.09 0.00 0.02 0.00 0.00 55.36 56.50 1xqq s GLN 49 Cb -0.14 -3.62 -0.06 0.00 1.00 0.00 0.00 33.01 30.19 1xqq s GLN 49 CO 0.02 -0.50 0.78 -0.51 -2.12 0.00 0.00 175.29 172.96 1xqq s LEU 50 N 2.76 3.76 -0.03 2.90 1.43 -0.32 -5.01 118.68 124.17 1xqq s LEU 50 Ca 0.41 1.09 0.01 0.00 -1.03 0.00 0.00 54.13 54.61 1xqq s LEU 50 Cb -0.16 -4.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 1xqq s LEU 50 CO 0.09 -0.46 -0.04 -1.61 0.23 0.00 0.00 176.35 174.57 1xqq s GLU 51 N -4.10 2.75 0.12 1.70 2.02 -1.26 -4.63 118.70 115.30 1xqq s GLU 51 Ca 0.50 -0.59 -0.20 0.00 0.02 0.00 0.00 54.97 54.71 1xqq s GLU 51 Cb -0.10 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 1xqq s GLU 51 CO 0.35 0.64 1.75 -0.44 0.02 0.00 0.00 175.26 177.59 1xqq h ASP 52 N 4.79 0.08 0.28 -0.19 5.19 -1.97 -2.28 116.42 122.32 1xqq h ASP 52 Ca -0.49 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1xqq h ASP 52 Cb 1.18 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.69 1xqq h ASP 52 CO 0.54 0.07 0.00 0.61 -3.12 0.00 0.00 179.24 177.35 1xqq n GLY 53 N -1.16 -0.95 4.00 2.75 0.00 -1.26 -1.26 105.19 107.31 1xqq n GLY 53 Ca -0.03 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.37 2.72 0.29 1.61 0.52 -0.86 -4.87 118.95 116.00 1xqq s ARG 54 Ca 0.27 -1.12 0.07 0.00 -0.52 0.00 0.00 55.73 54.44 1xqq s ARG 54 Cb 0.16 -2.68 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1xqq s ARG 54 CO 0.33 -0.42 0.22 0.95 0.02 0.00 0.00 175.30 176.40 1xqq s THR 55 N -2.48 4.02 0.46 0.02 -4.23 -1.26 -0.52 115.64 111.64 1xqq s THR 55 Ca 0.56 -1.42 0.27 0.00 -1.18 0.00 0.00 61.69 59.92 1xqq s THR 55 Cb -0.10 -3.29 0.30 0.00 1.34 0.00 0.00 72.50 70.75 1xqq s THR 55 CO 0.35 -0.28 2.11 -0.07 -0.54 0.00 0.00 174.62 176.19 1xqq h LEU 56 N 1.42 0.00 -0.30 4.79 3.38 -1.41 -2.20 115.31 120.99 1xqq h LEU 56 Ca -0.47 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.32 1xqq h LEU 56 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1xqq h LEU 56 CO 0.60 0.10 -0.85 -1.28 0.09 0.00 0.00 178.44 177.09 1xqq h SER 57 N 0.00 0.02 -0.60 -0.43 0.87 -1.76 0.18 113.55 111.83 1xqq h SER 57 Ca -0.00 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 1xqq h SER 57 Cb 0.25 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.18 1xqq h SER 57 CO 0.01 0.86 0.21 0.44 -0.53 0.00 0.00 176.83 177.82 1xqq h ASP 58 N 0.01 0.86 -0.20 6.23 3.32 -1.70 -2.39 116.42 122.55 1xqq h ASP 58 Ca -0.01 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.84 1xqq h ASP 58 Cb 1.51 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1xqq h ASP 58 CO 0.11 0.82 0.00 -1.22 -1.72 0.00 0.00 179.24 177.23 1xqq n TYR 59 N -4.42 0.26 -3.45 4.55 4.01 -1.21 -4.99 117.16 111.90 1xqq n TYR 59 Ca 0.03 -0.13 -0.23 0.00 -0.16 0.00 0.00 57.90 57.42 1xqq n TYR 59 Cb 0.19 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.30 -5.89 -4.64 7.72 3.02 -0.81 -4.98 115.26 109.98 1xqq n ASN 60 Ca 0.15 -0.85 -0.38 0.00 -0.03 0.00 0.00 54.58 53.47 1xqq n ASN 60 Cb 0.30 -4.37 -0.09 0.00 -0.61 0.00 0.00 39.78 35.01 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 -3.43 5.23 0.28 2.41 1.01 0.56 -5.00 121.20 122.26 1xqq s ILE 61 Ca 0.45 0.51 0.04 0.00 0.00 0.00 0.00 60.65 61.66 1xqq s ILE 61 Cb -0.11 -3.66 0.04 0.00 0.01 0.00 0.00 42.46 38.75 1xqq s ILE 61 CO 0.80 0.24 0.35 0.00 0.00 0.00 0.00 174.94 176.32 1xqq n GLN 62 N 4.79 0.87 -1.64 2.79 10.64 -1.26 -4.69 117.38 128.89 1xqq n GLN 62 Ca -0.10 -1.56 -0.38 0.00 -1.83 0.00 0.00 57.00 53.13 1xqq n GLN 62 Cb 0.51 -0.05 0.05 0.00 -0.86 0.00 0.00 30.24 29.90 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1xqq n LYS 63 N -1.50 0.98 -2.36 2.61 2.85 -1.26 -3.54 118.16 115.94 1xqq n LYS 63 Ca 0.06 0.38 -0.14 0.00 -1.05 0.00 0.00 58.31 57.56 1xqq n LYS 63 Cb 0.30 -2.24 -0.00 0.00 -0.65 0.00 0.00 35.03 32.43 1xqq n LYS 63 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xqq n GLU 64 N -1.12 -1.52 -3.41 -1.58 1.02 0.19 -4.97 120.64 109.24 1xqq n GLU 64 Ca 0.14 0.65 -0.37 0.00 -0.02 0.00 0.00 57.16 57.55 1xqq n GLU 64 Cb 0.47 -4.90 -0.06 0.00 -0.02 0.00 0.00 31.44 26.93 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 -2.47 6.65 -0.19 1.62 0.01 -1.23 -4.88 113.70 113.21 1xqq s SER 65 Ca 0.04 0.77 -0.19 0.00 1.31 0.00 0.00 55.95 57.87 1xqq s SER 65 Cb -0.02 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 1xqq s SER 65 CO 0.05 0.10 0.56 -0.89 0.41 0.00 0.00 173.24 173.46 1xqq s THR 66 N 0.21 5.08 -0.07 1.44 2.01 -1.26 -0.43 115.64 122.62 1xqq s THR 66 Ca 0.23 1.04 0.00 0.00 0.31 0.00 0.00 61.69 63.27 1xqq s THR 66 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1xqq s THR 66 CO 0.09 0.17 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.38 1xqq s LEU 67 N 1.61 3.27 -0.14 4.42 1.02 0.14 -4.71 118.68 124.28 1xqq s LEU 67 Ca 0.26 0.02 -0.10 0.00 0.02 0.00 0.00 54.13 54.33 1xqq s LEU 67 Cb -0.16 -1.72 -0.05 0.00 0.02 0.00 0.00 46.19 44.29 1xqq s LEU 67 CO 0.10 0.37 0.20 -1.00 0.02 0.00 0.00 176.35 176.04 1xqq s HIS 68 N -0.83 3.54 -0.22 0.29 3.76 -0.50 -0.86 115.29 120.46 1xqq s HIS 68 Ca 0.13 0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 55.46 1xqq s HIS 68 Cb -0.11 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.41 1xqq s HIS 68 CO 0.02 0.51 0.24 -1.17 -0.85 0.00 0.00 174.74 173.48 1xqq s LEU 69 N -0.37 4.13 0.04 0.89 2.96 0.13 -1.68 118.68 124.79 1xqq s LEU 69 Ca 0.14 0.25 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1xqq s LEU 69 Cb -0.12 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 1xqq s LEU 69 CO 0.03 0.03 -0.11 0.68 -1.32 0.00 0.00 176.35 175.67 1xqq s VAL 70 N 1.09 0.79 0.08 1.68 -7.23 -0.89 -4.35 120.40 111.57 1xqq s VAL 70 Ca 0.11 -1.03 0.04 0.00 -1.81 0.00 0.00 61.98 59.29 1xqq s VAL 70 Cb -0.14 -0.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.99 1xqq s VAL 70 CO 0.05 -0.21 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.76 1xqq s LEU 71 N -1.38 2.34 0.00 1.32 1.02 -1.26 -0.81 118.68 119.90 1xqq s LEU 71 Ca -0.04 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1xqq s LEU 71 Cb -0.09 -0.37 0.00 0.00 0.02 0.00 0.00 46.19 45.75 1xqq s LEU 71 CO 0.01 -0.18 0.00 0.54 0.02 0.00 0.00 176.35 176.74 1xqq n ARG 72 N 0.96 0.00 0.02 1.70 1.74 0.41 -4.80 116.66 116.69 1xqq n ARG 72 Ca -0.19 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.74 1xqq n ARG 72 Cb 0.56 -0.17 -0.14 0.00 -1.02 0.00 0.00 32.46 31.69 1xqq n ARG 72 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1xqq h LEU 73 N 0.00 0.26 -9.98 0.55 5.85 -1.94 -3.48 115.31 106.57 1xqq h LEU 73 Ca 0.00 -0.48 -0.53 0.00 0.84 0.00 0.00 57.88 57.71 1xqq h LEU 73 Cb 0.00 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1xqq h LEU 73 CO 0.00 1.42 -0.46 -0.13 -0.34 0.00 0.00 178.44 178.93 1xqq s ARG 74 N -2.59 2.38 -0.30 1.25 0.52 -1.26 -5.11 118.95 113.84 1xqq s ARG 74 Ca -0.12 -1.66 -0.13 0.00 -0.52 0.00 0.00 55.73 53.31 1xqq s ARG 74 Cb 0.07 -2.18 0.18 0.00 0.52 0.00 0.00 34.95 33.55 1xqq s ARG 74 CO 0.82 -0.09 1.11 0.20 0.02 0.00 0.00 175.30 177.35 1xqq s GLY 75 N -3.98 -0.98 0.00 -3.53 0.00 -1.26 -4.75 107.32 92.82 1xqq s GLY 75 Ca 0.43 2.13 0.00 0.00 0.00 0.00 0.00 44.72 47.28 1xqq s GLY 75 CO 0.25 4.20 0.00 0.61 0.00 0.00 0.00 173.10 178.15