#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 3.54 0.24 3.17 1.11 -1.26 -0.98 119.66 125.49 1xqq s GLN 2 Ca 0.00 -0.03 0.03 0.00 0.01 0.00 0.00 55.36 55.37 1xqq s GLN 2 Cb 0.00 -3.18 -0.05 0.00 -1.01 0.00 0.00 33.01 28.77 1xqq s GLN 2 CO 0.00 0.74 0.01 0.96 0.01 0.00 0.00 175.29 177.02 1xqq s ILE 3 N -1.08 1.00 0.05 1.08 -5.25 0.12 -1.28 121.20 115.84 1xqq s ILE 3 Ca 0.19 -2.03 0.07 0.00 -0.99 0.00 0.00 60.65 57.89 1xqq s ILE 3 Cb -0.13 -2.41 -0.03 0.00 2.95 0.00 0.00 42.46 42.83 1xqq s ILE 3 CO 0.08 -0.26 -0.16 -0.36 -1.79 0.00 0.00 174.94 172.44 1xqq s PHE 4 N -3.44 2.61 -0.29 1.37 0.08 0.04 -0.85 117.98 117.50 1xqq s PHE 4 Ca 0.30 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 57.03 1xqq s PHE 4 Cb 0.06 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 1xqq s PHE 4 CO 0.10 0.29 0.16 0.08 -0.10 0.00 0.00 175.22 175.75 1xqq s VAL 5 N -0.97 4.91 -0.31 -0.44 1.01 -0.17 -0.28 120.40 124.14 1xqq s VAL 5 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1xqq s VAL 5 Cb -0.11 -3.39 0.04 0.00 0.00 0.00 0.00 36.38 32.93 1xqq s VAL 5 CO 0.07 0.20 0.05 -0.75 0.00 0.00 0.00 175.10 174.67 1xqq s LYS 6 N 1.69 2.62 0.90 2.72 2.47 0.16 -1.09 119.74 129.21 1xqq s LYS 6 Ca 0.06 -1.16 -0.13 0.00 -1.56 0.00 0.00 55.97 53.18 1xqq s LYS 6 Cb -0.16 -3.31 0.14 0.00 -1.46 0.00 0.00 37.83 33.03 1xqq s LYS 6 CO 0.08 -0.60 1.17 0.95 0.16 0.00 0.00 175.35 177.10 1xqq s THR 7 N 1.35 1.98 0.13 3.43 -4.23 -0.99 -0.73 115.64 116.59 1xqq s THR 7 Ca -0.02 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.23 1xqq s THR 7 Cb -0.19 -2.84 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 1xqq s THR 7 CO 0.01 0.00 1.63 -0.07 -0.54 0.00 0.00 174.62 175.64 1xqq h LEU 8 N -1.44 -0.84 -1.85 4.79 3.38 -1.86 -1.75 115.31 115.73 1xqq h LEU 8 Ca -0.48 0.12 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1xqq h LEU 8 Cb 1.32 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1xqq h LEU 8 CO 0.59 -0.33 0.29 0.71 0.09 0.00 0.00 178.44 179.79 1xqq h THR 9 N -0.37 0.88 0.00 0.22 1.35 -1.93 -3.47 112.91 109.58 1xqq h THR 9 Ca 0.09 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1xqq h THR 9 Cb 0.50 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1xqq h THR 9 CO -0.29 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.62 1xqq n GLY 10 N -1.56 1.88 3.72 5.82 0.00 -0.66 -5.10 105.19 109.28 1xqq n GLY 10 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.33 4.61 -0.47 1.61 2.20 -1.26 -4.72 119.74 121.37 1xqq s LYS 11 Ca 0.00 1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 56.77 1xqq s LYS 11 Cb 0.00 -3.43 0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1xqq s LYS 11 CO 0.00 0.06 0.92 0.99 -0.36 0.00 0.00 175.35 176.96 1xqq s THR 12 N 0.60 4.47 -0.24 3.43 2.01 -1.26 -2.34 115.64 122.32 1xqq s THR 12 Ca 0.49 0.67 -0.09 0.00 0.31 0.00 0.00 61.69 63.08 1xqq s THR 12 Cb -0.22 -4.44 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 1xqq s THR 12 CO 0.28 -0.87 0.11 -0.63 -0.69 0.00 0.00 174.62 172.83 1xqq s ILE 13 N 3.76 4.84 -0.21 1.82 1.01 -0.25 -4.96 121.20 127.21 1xqq s ILE 13 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.76 1xqq s ILE 13 Cb -0.10 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.10 1xqq s ILE 13 CO 0.25 0.35 0.83 -0.89 0.00 0.00 0.00 174.94 175.48 1xqq s THR 14 N 1.23 4.86 -0.10 2.92 2.01 -1.26 -1.00 115.64 124.30 1xqq s THR 14 Ca 0.06 1.59 -0.00 0.00 0.31 0.00 0.00 61.69 63.65 1xqq s THR 14 Cb -0.14 -4.12 0.02 0.00 0.01 0.00 0.00 72.50 68.27 1xqq s THR 14 CO 0.05 -0.02 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.66 1xqq s LEU 15 N 2.49 1.20 -0.20 4.42 2.96 -0.03 -5.00 118.68 124.52 1xqq s LEU 15 Ca 0.36 -0.29 -0.22 0.00 -0.22 0.00 0.00 54.13 53.77 1xqq s LEU 15 Cb -0.16 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.70 1xqq s LEU 15 CO 0.10 -0.11 0.70 -0.70 -1.32 0.00 0.00 176.35 175.02 1xqq s GLU 16 N 1.61 4.22 0.07 1.98 2.12 -1.26 0.15 118.70 127.59 1xqq s GLU 16 Ca 0.03 0.75 0.05 0.00 0.36 0.00 0.00 54.97 56.16 1xqq s GLU 16 Cb -0.13 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1xqq s GLU 16 CO -0.07 -0.31 -0.14 0.14 -0.54 0.00 0.00 175.26 174.34 1xqq s VAL 17 N 2.14 1.13 0.28 3.70 -7.23 -0.15 -4.96 120.40 115.31 1xqq s VAL 17 Ca 0.32 -1.29 -0.14 0.00 -1.81 0.00 0.00 61.98 59.05 1xqq s VAL 17 Cb -0.16 -1.08 -0.08 0.00 0.56 0.00 0.00 36.38 35.61 1xqq s VAL 17 CO 0.10 -0.20 0.69 -1.61 -0.31 0.00 0.00 175.10 173.77 1xqq s GLU 18 N -1.70 3.99 0.26 4.82 2.02 -1.26 0.04 118.70 126.87 1xqq s GLU 18 Ca -0.01 0.61 0.25 0.00 0.02 0.00 0.00 54.97 55.83 1xqq s GLU 18 Cb -0.10 -2.56 0.93 0.00 0.10 0.00 0.00 34.13 32.51 1xqq s GLU 18 CO 0.02 0.24 1.74 -1.35 0.02 0.00 0.00 175.26 175.93 1xqq h PRO 19 N 2.53 0.00 -0.11 0.39 0.11 -1.97 -2.12 132.00 130.83 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 0.66 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.88 1xqq n SER 20 N -2.30 1.30 -4.81 -2.05 7.64 -1.26 -3.40 113.62 108.74 1xqq n SER 20 Ca 0.03 -1.61 -0.33 0.00 1.01 0.00 0.00 58.87 57.97 1xqq n SER 20 Cb 0.31 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.39 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 -1.64 6.55 0.64 6.43 1.11 -0.80 -4.87 116.67 124.09 1xqq s ASP 21 Ca 0.33 1.79 0.04 0.00 0.18 0.00 0.00 52.55 54.90 1xqq s ASP 21 Cb 0.17 -2.55 0.10 0.00 1.07 0.00 0.00 42.92 41.72 1xqq s ASP 21 CO 0.27 -0.63 0.88 0.42 1.18 0.00 0.00 175.17 177.28 1xqq s THR 22 N -2.15 2.19 -0.22 -1.27 -4.23 -1.26 -2.15 115.64 106.54 1xqq s THR 22 Ca 0.64 -0.80 0.17 0.00 -1.18 0.00 0.00 61.69 60.52 1xqq s THR 22 Cb -0.13 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.43 1xqq s THR 22 CO 0.20 0.00 1.40 0.40 -0.54 0.00 0.00 174.62 176.08 1xqq h ILE 23 N -0.14 0.59 -0.47 2.99 1.08 -0.69 -2.50 117.51 118.37 1xqq h ILE 23 Ca -0.34 -1.87 0.09 0.00 -0.39 0.00 0.00 64.86 62.36 1xqq h ILE 23 Cb 1.28 2.25 -0.08 0.00 -3.07 0.00 0.00 36.82 37.20 1xqq h ILE 23 CO 0.41 0.34 0.01 -0.08 -0.69 0.00 0.00 178.15 178.14 1xqq h GLU 24 N 0.00 0.12 0.00 2.37 4.81 -1.51 -2.16 114.58 118.22 1xqq h GLU 24 Ca -0.02 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1xqq h GLU 24 Cb 1.30 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1xqq h GLU 24 CO 0.05 0.08 -0.44 -0.91 -0.73 0.00 0.00 179.01 177.05 1xqq h ASN 25 N 0.13 0.00 -0.15 1.04 4.21 -1.77 -1.92 115.58 117.11 1xqq h ASN 25 Ca 0.24 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.55 1xqq h ASN 25 Cb 0.34 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1xqq h ASN 25 CO -0.38 0.44 -0.68 0.58 -1.29 0.00 0.00 177.43 176.11 1xqq h VAL 26 N 0.00 1.30 -0.14 2.81 2.07 -1.37 0.47 116.25 121.39 1xqq h VAL 26 Ca -0.00 -1.90 0.01 0.00 0.82 0.00 0.00 66.70 65.63 1xqq h VAL 26 Cb 0.94 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1xqq h VAL 26 CO 0.06 0.60 0.09 0.11 0.02 0.00 0.00 177.57 178.45 1xqq h LYS 27 N 0.44 0.13 -0.21 1.57 1.57 -1.36 -1.24 116.57 117.47 1xqq h LYS 27 Ca -0.04 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 1xqq h LYS 27 Cb 1.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xqq h LYS 27 CO 0.14 0.09 -0.50 0.00 -0.57 0.00 0.00 179.45 178.61 1xqq h ALA 28 N 1.92 0.34 0.00 3.86 0.00 -0.48 -0.93 119.26 123.98 1xqq h ALA 28 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1xqq h ALA 28 Cb 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xqq h ALA 28 CO -0.01 0.52 -0.14 0.87 0.00 0.00 0.00 179.25 180.49 1xqq h LYS 29 N 0.42 0.00 0.13 0.00 1.79 -0.62 -1.55 116.57 116.75 1xqq h LYS 29 Ca -0.00 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.14 1xqq h LYS 29 Cb 1.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 1xqq h LYS 29 CO 0.11 0.14 -1.71 0.82 -1.08 0.00 0.00 179.45 177.73 1xqq h ILE 30 N 0.00 0.86 -0.78 1.86 2.04 -1.07 -2.91 117.51 117.51 1xqq h ILE 30 Ca -0.00 -2.40 0.18 0.00 1.00 0.00 0.00 64.86 63.64 1xqq h ILE 30 Cb 0.27 2.63 -0.13 0.00 -0.74 0.00 0.00 36.82 38.85 1xqq h ILE 30 CO 0.02 0.80 0.04 -0.61 0.00 0.00 0.00 178.15 178.40 1xqq h GLN 31 N -0.09 0.12 0.00 2.37 4.15 -1.14 0.11 115.11 120.63 1xqq h GLN 31 Ca -0.36 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 58.98 1xqq h GLN 31 Cb 1.93 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.58 1xqq h GLN 31 CO 0.09 0.08 -0.34 0.22 -1.93 0.00 0.00 178.83 176.95 1xqq h ASP 32 N 0.12 0.00 0.00 -0.69 3.58 -1.30 -2.19 116.42 115.93 1xqq h ASP 32 Ca 0.44 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.76 1xqq h ASP 32 Cb 0.79 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1xqq h ASP 32 CO -0.67 0.34 -0.82 0.50 -2.88 0.00 0.00 179.24 175.71 1xqq h LYS 33 N 0.00 0.00 0.00 0.28 1.63 -1.20 -3.42 116.57 113.86 1xqq h LYS 33 Ca -0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1xqq h LYS 33 Cb 0.88 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 1xqq h LYS 33 CO 0.04 0.72 -2.10 0.39 -3.45 0.00 0.00 179.45 175.05 1xqq n GLU 34 N -4.52 0.67 -0.05 1.90 -0.58 0.33 -5.01 120.64 113.37 1xqq n GLU 34 Ca -0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.47 1xqq n GLU 34 Cb 0.52 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.50 0.97 3.68 0.62 0.00 -0.82 -5.03 105.19 106.11 1xqq n GLY 35 Ca -0.18 -0.04 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 5.23 0.33 -0.61 1.01 -1.25 -5.01 121.20 118.89 1xqq s ILE 36 Ca 0.00 0.67 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 1xqq s ILE 36 Cb 0.00 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 1xqq s ILE 36 CO 0.00 0.29 1.32 -2.84 0.00 0.00 0.00 174.94 173.71 1xqq s PRO 37 N 1.09 4.34 0.00 2.79 0.02 -1.26 -3.72 135.00 138.26 1xqq s PRO 37 Ca 0.19 2.24 0.23 0.00 0.02 0.00 0.00 61.00 63.68 1xqq s PRO 37 Cb -0.14 -3.07 1.30 0.00 0.02 0.00 0.00 34.50 32.61 1xqq s PRO 37 CO 0.07 -0.22 1.77 -0.35 -0.33 0.00 0.00 177.00 177.95 1xqq n PRO 38 N 0.88 0.55 0.04 5.54 -0.04 -1.26 -2.26 135.00 138.45 1xqq n PRO 38 Ca 0.00 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 1xqq n PRO 38 Cb 0.42 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.00 0.13 1.11 3.54 2.03 -1.97 -3.31 116.42 117.96 1xqq h ASP 39 Ca 0.00 -0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.11 1xqq h ASP 39 Cb 0.10 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 1xqq h ASP 39 CO 0.00 1.16 0.00 0.00 -1.03 0.00 0.00 179.24 179.37 1xqq n GLN 40 N -3.29 0.16 -3.09 4.15 6.02 -0.96 -3.59 117.38 116.78 1xqq n GLN 40 Ca -0.11 0.21 -0.40 0.00 -0.01 0.00 0.00 57.00 56.69 1xqq n GLN 40 Cb 1.01 -1.72 -0.06 0.00 1.02 0.00 0.00 30.24 30.49 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 -3.11 4.17 -0.24 -1.09 -0.21 -1.22 -1.77 119.66 116.18 1xqq s GLN 41 Ca 0.10 0.62 -0.04 0.00 0.02 0.00 0.00 55.36 56.06 1xqq s GLN 41 Cb 0.13 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 30.53 1xqq s GLN 41 CO 0.51 -0.34 -0.02 0.50 -2.12 0.00 0.00 175.29 173.81 1xqq s ARG 42 N 2.26 3.22 -0.20 2.91 3.52 -0.87 -5.01 118.95 124.77 1xqq s ARG 42 Ca 0.28 -0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 1xqq s ARG 42 Cb -0.16 -3.07 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 1xqq s ARG 42 CO 0.09 -0.28 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.77 1xqq s LEU 43 N 1.45 3.11 -0.15 -0.88 1.43 -1.26 -0.65 118.68 121.73 1xqq s LEU 43 Ca 0.04 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1xqq s LEU 43 Cb -0.15 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1xqq s LEU 43 CO -0.03 0.04 -0.12 -0.63 0.23 0.00 0.00 176.35 175.85 1xqq s ILE 44 N 1.12 3.03 -0.33 -0.59 -1.09 -0.18 -3.98 121.20 119.18 1xqq s ILE 44 Ca 0.02 -0.65 -0.10 0.00 -2.23 0.00 0.00 60.65 57.69 1xqq s ILE 44 Cb -0.14 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 1xqq s ILE 44 CO 0.01 0.50 0.18 0.12 -1.23 0.00 0.00 174.94 174.52 1xqq s PHE 45 N 0.66 3.20 0.00 3.97 5.36 0.34 -1.51 117.98 130.01 1xqq s PHE 45 Ca -0.06 -0.63 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 1xqq s PHE 45 Cb -0.15 -2.39 0.00 0.00 -0.34 0.00 0.00 43.02 40.13 1xqq s PHE 45 CO 0.02 -0.50 0.00 0.00 -1.46 0.00 0.00 175.22 173.29 1xqq n ALA 46 N 5.00 0.00 0.26 11.12 0.00 -1.26 -0.23 120.51 135.41 1xqq n ALA 46 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1xqq n ALA 46 Cb 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 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 0.18 3.73 0.00 0.00 -1.26 -5.03 105.19 102.81 1xqq n GLY 47 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.29 4.34 0.23 1.61 1.02 0.69 -5.08 119.74 121.26 1xqq s LYS 48 Ca 0.03 0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.58 1xqq s LYS 48 Cb 0.04 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1xqq s LYS 48 CO 0.19 0.17 0.38 1.14 -0.92 0.00 0.00 175.35 176.31 1xqq s GLN 49 N 0.55 3.46 0.34 1.68 -2.07 -1.26 -0.50 119.66 121.86 1xqq s GLN 49 Ca 0.28 -0.58 0.08 0.00 -1.82 0.00 0.00 55.36 53.32 1xqq s GLN 49 Cb -0.16 -2.86 -0.07 0.00 -1.09 0.00 0.00 33.01 28.84 1xqq s GLN 49 CO 0.12 0.40 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.93 1xqq s LEU 50 N -3.76 2.66 0.54 2.60 1.43 -1.26 -4.95 118.68 115.95 1xqq s LEU 50 Ca 0.36 -1.25 0.09 0.00 -1.03 0.00 0.00 54.13 52.30 1xqq s LEU 50 Cb -0.10 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.35 1xqq s LEU 50 CO 0.30 -0.33 0.70 -1.61 0.23 0.00 0.00 176.35 175.65 1xqq s GLU 51 N -3.68 2.39 -0.21 1.70 2.02 -1.26 -5.02 118.70 114.63 1xqq s GLU 51 Ca 0.33 -1.62 -0.13 0.00 0.02 0.00 0.00 54.97 53.57 1xqq s GLU 51 Cb 0.05 -2.60 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 1xqq s GLU 51 CO 0.16 -0.72 -0.31 -0.25 0.02 0.00 0.00 175.26 174.15 1xqq n ASP 52 N -2.11 1.76 -0.32 -0.19 8.00 -1.26 -4.65 116.55 117.78 1xqq n ASP 52 Ca 0.12 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1xqq n ASP 52 Cb 0.61 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N 1.54 0.54 3.51 0.44 0.00 -1.26 -1.39 105.19 108.57 1xqq n GLY 53 Ca -0.37 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.36 1.83 0.66 1.61 0.52 -1.26 -4.94 118.95 116.00 1xqq s ARG 54 Ca 0.00 -1.34 -0.04 0.00 -0.52 0.00 0.00 55.73 53.84 1xqq s ARG 54 Cb 0.00 -2.05 0.06 0.00 0.52 0.00 0.00 34.95 33.48 1xqq s ARG 54 CO 0.00 0.43 0.93 0.95 0.02 0.00 0.00 175.30 177.63 1xqq s THR 55 N -1.59 2.40 0.36 0.02 -4.23 -1.26 -1.43 115.64 109.91 1xqq s THR 55 Ca 0.22 -0.43 0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1xqq s THR 55 Cb -0.09 -2.97 0.11 0.00 1.34 0.00 0.00 72.50 70.89 1xqq s THR 55 CO 0.12 0.00 1.84 -0.07 -0.54 0.00 0.00 174.62 175.97 1xqq h LEU 56 N -0.37 0.13 -0.23 4.79 3.38 -1.50 -2.97 115.31 118.54 1xqq h LEU 56 Ca -0.43 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1xqq h LEU 56 Cb 1.30 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xqq h LEU 56 CO 0.56 0.43 -0.31 -1.28 0.09 0.00 0.00 178.44 177.92 1xqq h SER 57 N 0.12 0.68 -0.05 -0.43 0.87 -1.82 0.10 113.55 113.03 1xqq h SER 57 Ca 0.02 -0.51 0.01 0.00 -1.23 0.00 0.00 61.79 60.09 1xqq h SER 57 Cb 0.58 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xqq h SER 57 CO 0.04 1.05 0.04 0.44 -0.53 0.00 0.00 176.83 177.88 1xqq h ASP 58 N 0.33 0.00 1.16 6.23 3.32 -1.86 -2.72 116.42 122.88 1xqq h ASP 58 Ca 0.03 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.92 1xqq h ASP 58 Cb 0.89 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.42 1xqq h ASP 58 CO 0.07 0.00 -0.87 1.88 -1.72 0.00 0.00 179.24 178.60 1xqq h TYR 59 N 0.00 0.00 -3.40 4.55 0.05 -1.59 -3.49 116.97 113.09 1xqq h TYR 59 Ca 0.02 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 1xqq h TYR 59 Cb 0.11 0.00 0.07 0.00 1.01 0.00 0.00 36.73 37.91 1xqq h TYR 59 CO 0.00 0.71 -0.30 -1.71 -1.05 0.00 0.00 178.16 175.81 1xqq n ASN 60 N -3.21 -2.25 -4.37 3.88 5.15 -1.02 -5.03 115.26 108.40 1xqq n ASN 60 Ca -0.01 -0.25 -0.45 0.00 -0.60 0.00 0.00 54.58 53.27 1xqq n ASN 60 Cb 0.84 -2.36 -0.04 0.00 -0.53 0.00 0.00 39.78 37.69 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xqq s ILE 61 N -3.14 4.83 0.34 -1.44 1.01 0.01 -5.00 121.20 117.81 1xqq s ILE 61 Ca 0.03 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.70 1xqq s ILE 61 Cb -0.01 -4.50 0.05 0.00 0.01 0.00 0.00 42.46 38.01 1xqq s ILE 61 CO 0.29 -1.13 0.44 0.00 0.00 0.00 0.00 174.94 174.54 1xqq n GLN 62 N 6.30 0.80 -2.12 2.79 6.02 -1.26 -4.65 117.38 125.26 1xqq n GLN 62 Ca -0.09 -1.88 -0.36 0.00 -0.01 0.00 0.00 57.00 54.66 1xqq n GLN 62 Cb 0.43 -0.09 0.01 0.00 1.02 0.00 0.00 30.24 31.61 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 -3.53 3.34 0.00 -1.09 -2.85 -1.26 -3.07 119.74 111.28 1xqq s LYS 63 Ca 0.33 1.81 0.00 0.00 -1.00 0.00 0.00 55.97 57.12 1xqq s LYS 63 Cb -0.03 -2.14 0.00 0.00 -2.06 0.00 0.00 37.83 33.60 1xqq s LYS 63 CO 0.21 -0.91 0.00 -1.91 0.10 0.00 0.00 175.35 172.84 1xqq n GLU 64 N -1.10 -0.25 -1.97 1.78 2.13 -0.40 -5.00 120.64 115.83 1xqq n GLU 64 Ca 0.11 0.06 -0.40 0.00 0.66 0.00 0.00 57.16 57.58 1xqq n GLU 64 Cb 0.49 -3.20 -0.01 0.00 0.27 0.00 0.00 31.44 28.99 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1xqq s SER 65 N -2.23 6.47 -0.53 4.31 0.15 -1.17 -4.70 113.70 116.00 1xqq s SER 65 Ca 0.00 2.83 -0.19 0.00 0.70 0.00 0.00 55.95 59.29 1xqq s SER 65 Cb 0.00 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.72 1xqq s SER 65 CO 0.00 -0.76 0.66 -0.89 1.20 0.00 0.00 173.24 173.45 1xqq s THR 66 N -1.16 4.83 -0.08 6.45 2.01 -1.26 -0.78 115.64 125.65 1xqq s THR 66 Ca 0.53 -0.57 -0.25 0.00 0.31 0.00 0.00 61.69 61.70 1xqq s THR 66 Cb -0.42 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 67.70 1xqq s THR 66 CO 0.56 -0.90 0.80 -0.76 -0.69 0.00 0.00 174.62 173.63 1xqq s LEU 67 N 2.72 4.29 -0.21 4.42 1.43 0.61 -4.73 118.68 127.21 1xqq s LEU 67 Ca 0.15 1.29 -0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1xqq s LEU 67 Cb -0.20 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 1xqq s LEU 67 CO 0.11 -0.23 0.04 -1.00 0.23 0.00 0.00 176.35 175.50 1xqq s HIS 68 N 1.23 3.12 -0.06 0.29 3.76 -0.57 0.39 115.29 123.44 1xqq s HIS 68 Ca 0.41 -0.26 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 1xqq s HIS 68 Cb -0.18 -2.12 -0.05 0.00 1.11 0.00 0.00 32.58 31.34 1xqq s HIS 68 CO 0.19 -0.13 0.46 -1.17 -0.85 0.00 0.00 174.74 173.23 1xqq s LEU 69 N 0.95 4.36 -0.27 0.89 2.96 0.09 -1.01 118.68 126.65 1xqq s LEU 69 Ca 0.03 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1xqq s LEU 69 Cb -0.14 -2.67 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1xqq s LEU 69 CO 0.02 0.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.45 1xqq s VAL 70 N -0.09 2.72 -0.38 1.68 1.01 0.18 -2.50 120.40 123.02 1xqq s VAL 70 Ca 0.25 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 1xqq s VAL 70 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 1xqq s VAL 70 CO 0.12 0.03 0.37 -0.22 0.00 0.00 0.00 175.10 175.41 1xqq s LEU 71 N 1.24 4.69 0.00 3.92 2.96 -1.26 -2.05 118.68 128.18 1xqq s LEU 71 Ca -0.04 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1xqq s LEU 71 Cb -0.19 -2.32 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1xqq s LEU 71 CO -0.04 -0.44 0.00 -2.11 -1.32 0.00 0.00 176.35 172.45 1xqq n ARG 72 N 5.41 0.00 -4.02 1.98 1.85 -0.73 -5.05 116.66 116.11 1xqq n ARG 72 Ca -0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.53 1xqq n ARG 72 Cb 0.48 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.84 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xqq s LEU 73 N 0.00 3.30 0.22 2.89 1.43 -1.26 -4.42 118.68 120.84 1xqq s LEU 73 Ca 0.00 -0.77 -0.32 0.00 -1.03 0.00 0.00 54.13 52.01 1xqq s LEU 73 Cb 0.00 -1.80 -0.13 0.00 0.03 0.00 0.00 46.19 44.30 1xqq s LEU 73 CO 0.00 -0.36 1.61 -1.14 0.23 0.00 0.00 176.35 176.68 1xqq n ARG 74 N -1.22 2.47 0.00 1.70 0.63 -1.24 -4.85 116.66 114.15 1xqq n ARG 74 Ca -0.02 0.89 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 1xqq n ARG 74 Cb 0.61 -2.67 0.00 0.00 0.45 0.00 0.00 32.46 30.86 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xqq n GLY 75 N 3.11 3.19 0.00 5.14 0.00 -1.26 -5.09 105.19 110.28 1xqq n GLY 75 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93