#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 4.04 0.43 3.17 -2.07 -1.26 -1.42 119.66 122.55 1xqq s GLN 2 Ca 0.00 0.12 0.07 0.00 -1.82 0.00 0.00 55.36 53.73 1xqq s GLN 2 Cb 0.00 -3.34 -0.05 0.00 -1.09 0.00 0.00 33.01 28.53 1xqq s GLN 2 CO 0.00 0.43 0.17 0.96 -1.32 0.00 0.00 175.29 175.53 1xqq s ILE 3 N -0.13 2.14 -0.11 3.63 -4.36 -0.60 -0.33 121.20 121.44 1xqq s ILE 3 Ca 0.18 -1.73 -0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1xqq s ILE 3 Cb -0.14 -2.88 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 1xqq s ILE 3 CO 0.06 0.00 -0.02 -0.36 0.24 0.00 0.00 174.94 174.86 1xqq s PHE 4 N -2.64 3.09 -0.11 1.37 0.08 0.74 -1.36 117.98 119.15 1xqq s PHE 4 Ca 0.37 0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.46 1xqq s PHE 4 Cb 0.04 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.63 1xqq s PHE 4 CO 0.21 0.26 -0.22 0.08 -0.10 0.00 0.00 175.22 175.45 1xqq s VAL 5 N -0.37 2.18 -0.16 -0.44 1.01 -0.14 -0.46 120.40 122.02 1xqq s VAL 5 Ca 0.07 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1xqq s VAL 5 Cb -0.12 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1xqq s VAL 5 CO 0.02 0.55 -0.20 -0.75 0.00 0.00 0.00 175.10 174.73 1xqq s LYS 6 N 0.47 2.86 0.87 2.72 2.20 -0.62 0.00 119.74 128.25 1xqq s LYS 6 Ca -0.15 -0.79 -0.11 0.00 -0.36 0.00 0.00 55.97 54.56 1xqq s LYS 6 Cb -0.17 -2.43 0.11 0.00 -1.51 0.00 0.00 37.83 33.83 1xqq s LYS 6 CO 0.06 -0.15 1.09 0.95 -0.36 0.00 0.00 175.35 176.94 1xqq s THR 7 N 1.16 2.79 0.16 3.43 -4.23 -1.06 -2.09 115.64 115.80 1xqq s THR 7 Ca 0.01 0.26 -0.14 0.00 -1.18 0.00 0.00 61.69 60.64 1xqq s THR 7 Cb -0.14 -2.74 0.05 0.00 1.34 0.00 0.00 72.50 71.01 1xqq s THR 7 CO -0.09 -0.33 1.77 0.25 -0.54 0.00 0.00 174.62 175.67 1xqq h LEU 8 N -1.46 0.66 0.10 4.79 5.85 -1.78 -3.16 115.31 120.31 1xqq h LEU 8 Ca -0.48 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.13 1xqq h LEU 8 Cb 1.27 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1xqq h LEU 8 CO 0.54 0.57 -0.05 0.71 -0.34 0.00 0.00 178.44 179.87 1xqq h THR 9 N 0.70 1.09 0.00 1.05 1.35 -1.93 -3.48 112.91 111.69 1xqq h THR 9 Ca 0.18 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1xqq h THR 9 Cb 0.06 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1xqq h THR 9 CO -0.03 0.19 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1xqq n GLY 10 N -0.15 -0.26 3.40 5.82 0.00 -1.19 -5.16 105.19 107.65 1xqq n GLY 10 Ca -0.09 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 2.48 -0.37 1.61 2.20 -1.26 -4.94 119.74 119.46 1xqq s LYS 11 Ca 0.00 -0.78 -0.21 0.00 -0.36 0.00 0.00 55.97 54.62 1xqq s LYS 11 Cb 0.00 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.04 1xqq s LYS 11 CO 0.00 0.54 0.67 0.99 -0.36 0.00 0.00 175.35 177.19 1xqq s THR 12 N -0.53 4.84 -0.08 3.43 2.01 -1.26 -2.57 115.64 121.48 1xqq s THR 12 Ca 0.07 0.58 -0.12 0.00 0.31 0.00 0.00 61.69 62.54 1xqq s THR 12 Cb -0.11 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.22 1xqq s THR 12 CO 0.01 -0.39 0.28 -0.63 -0.69 0.00 0.00 174.62 173.20 1xqq s ILE 13 N 2.83 5.27 -0.26 1.82 1.01 0.10 -4.93 121.20 127.04 1xqq s ILE 13 Ca 0.26 0.54 -0.13 0.00 0.00 0.00 0.00 60.65 61.32 1xqq s ILE 13 Cb -0.14 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1xqq s ILE 13 CO 0.16 0.55 0.30 -0.89 0.00 0.00 0.00 174.94 175.06 1xqq s THR 14 N -0.68 5.24 -0.03 2.92 2.01 -1.26 -0.97 115.64 122.87 1xqq s THR 14 Ca 0.19 0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.68 1xqq s THR 14 Cb -0.14 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 1xqq s THR 14 CO 0.08 0.22 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.78 1xqq s LEU 15 N 1.74 2.04 -0.39 4.42 2.96 -0.46 -4.98 118.68 124.00 1xqq s LEU 15 Ca 0.12 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.45 1xqq s LEU 15 Cb -0.15 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.33 1xqq s LEU 15 CO 0.09 0.26 0.29 -0.70 -1.32 0.00 0.00 176.35 174.97 1xqq s GLU 16 N -0.39 3.08 0.03 1.98 2.12 -1.26 -1.56 118.70 122.70 1xqq s GLU 16 Ca 0.05 -0.94 -0.02 0.00 0.36 0.00 0.00 54.97 54.42 1xqq s GLU 16 Cb -0.10 -3.94 -0.02 0.00 0.26 0.00 0.00 34.13 30.33 1xqq s GLU 16 CO 0.01 -0.68 0.01 0.14 -0.54 0.00 0.00 175.26 174.19 1xqq s VAL 17 N 1.69 0.13 0.29 3.70 -7.23 -0.51 -4.95 120.40 113.52 1xqq s VAL 17 Ca 0.05 -1.11 0.11 0.00 -1.81 0.00 0.00 61.98 59.22 1xqq s VAL 17 Cb -0.19 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 36.05 1xqq s VAL 17 CO 0.10 -0.61 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.57 1xqq s GLU 18 N -2.18 1.93 0.45 4.82 2.02 -1.26 -0.44 118.70 124.04 1xqq s GLU 18 Ca -0.09 -1.67 0.31 0.00 0.02 0.00 0.00 54.97 53.54 1xqq s GLU 18 Cb -0.04 -1.90 1.44 0.00 0.10 0.00 0.00 34.13 33.72 1xqq s GLU 18 CO -0.03 0.30 1.93 -1.35 0.02 0.00 0.00 175.26 176.13 1xqq h PRO 19 N 2.07 0.00 0.00 0.39 0.11 -1.92 -2.38 132.00 130.27 1xqq h PRO 19 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1xqq h PRO 19 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xqq h PRO 19 CO 0.62 0.00 0.00 0.77 -0.21 0.00 0.00 178.00 179.18 1xqq h SER 20 N 0.00 0.00 -4.13 -2.05 0.02 -1.96 -1.88 113.55 103.55 1xqq h SER 20 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 1xqq h SER 20 Cb 0.29 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.93 1xqq h SER 20 CO 0.00 0.00 0.42 -1.81 -1.14 0.00 0.00 176.83 174.30 1xqq s ASP 21 N -5.18 5.28 0.26 3.07 1.01 -0.90 -4.75 116.67 115.46 1xqq s ASP 21 Ca 0.07 2.20 0.03 0.00 0.71 0.00 0.00 52.55 55.55 1xqq s ASP 21 Cb 0.09 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1xqq s ASP 21 CO 0.58 -1.52 0.42 0.42 0.21 0.00 0.00 175.17 175.27 1xqq s THR 22 N -1.91 5.21 0.45 -1.27 -4.23 -1.26 -0.76 115.64 111.88 1xqq s THR 22 Ca 0.72 -0.71 0.12 0.00 -1.18 0.00 0.00 61.69 60.64 1xqq s THR 22 Cb -0.25 -3.83 0.23 0.00 1.34 0.00 0.00 72.50 69.99 1xqq s THR 22 CO 0.34 -0.36 2.06 0.40 -0.54 0.00 0.00 174.62 176.52 1xqq h ILE 23 N 1.14 1.08 -0.83 2.99 1.08 -1.05 -1.22 117.51 120.70 1xqq h ILE 23 Ca -0.50 -0.29 0.17 0.00 -0.39 0.00 0.00 64.86 63.85 1xqq h ILE 23 Cb 1.22 0.95 -0.11 0.00 -3.07 0.00 0.00 36.82 35.81 1xqq h ILE 23 CO 0.63 0.10 0.36 -0.08 -0.69 0.00 0.00 178.15 178.46 1xqq h GLU 24 N 0.20 0.45 0.00 2.37 4.81 -1.41 -1.66 114.58 119.33 1xqq h GLU 24 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1xqq h GLU 24 Cb 0.10 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1xqq h GLU 24 CO -0.00 0.30 0.00 -0.91 -0.73 0.00 0.00 179.01 177.66 1xqq h ASN 25 N 0.46 0.00 -0.41 1.04 2.35 -1.52 -3.15 115.58 114.35 1xqq h ASN 25 Ca 0.48 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.13 1xqq h ASN 25 Cb 0.79 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.14 1xqq h ASN 25 CO -0.45 0.00 -0.08 0.58 -1.65 0.00 0.00 177.43 175.83 1xqq h VAL 26 N 0.00 1.26 -0.43 2.81 2.07 -1.28 -2.85 116.25 117.83 1xqq h VAL 26 Ca 0.00 -1.16 -0.13 0.00 0.82 0.00 0.00 66.70 66.23 1xqq h VAL 26 Cb 0.64 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1xqq h VAL 26 CO 0.00 0.40 -0.25 0.11 0.02 0.00 0.00 177.57 177.85 1xqq h LYS 27 N 0.77 0.93 -0.09 1.57 1.57 -1.55 -2.63 116.57 117.15 1xqq h LYS 27 Ca 0.13 -0.42 0.04 0.00 -1.87 0.00 0.00 60.65 58.53 1xqq h LYS 27 Cb 0.58 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 1xqq h LYS 27 CO 0.04 1.08 -0.20 0.00 -0.57 0.00 0.00 179.45 179.80 1xqq h ALA 28 N 0.82 -0.19 -0.91 3.86 0.00 -1.49 -0.04 119.26 121.31 1xqq h ALA 28 Ca 0.09 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1xqq h ALA 28 Cb 0.83 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1xqq h ALA 28 CO 0.07 -0.67 0.57 0.87 0.00 0.00 0.00 179.25 180.09 1xqq h LYS 29 N -0.28 0.99 -0.49 0.00 1.57 -1.54 -2.36 116.57 114.47 1xqq h LYS 29 Ca 0.09 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1xqq h LYS 29 Cb 0.40 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1xqq h LYS 29 CO -0.25 0.66 0.05 0.82 -0.57 0.00 0.00 179.45 180.15 1xqq h ILE 30 N 1.02 1.23 0.05 1.86 2.04 -1.26 -0.74 117.51 121.72 1xqq h ILE 30 Ca 0.40 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1xqq h ILE 30 Cb 0.21 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1xqq h ILE 30 CO -0.19 0.33 -0.30 -0.61 0.00 0.00 0.00 178.15 177.39 1xqq h GLN 31 N 0.74 -0.46 0.45 2.37 4.15 -0.74 0.69 115.11 122.31 1xqq h GLN 31 Ca 0.15 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1xqq h GLN 31 Cb 0.38 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1xqq h GLN 31 CO 0.01 -0.31 -0.32 0.22 -1.93 0.00 0.00 178.83 176.51 1xqq h ASP 32 N -0.48 -0.81 0.25 -0.69 3.58 -0.88 -2.31 116.42 115.08 1xqq h ASP 32 Ca 0.05 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1xqq h ASP 32 Cb 0.54 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1xqq h ASP 32 CO -0.22 -0.48 -0.12 0.11 -2.88 0.00 0.00 179.24 175.65 1xqq h LYS 33 N -0.75 -0.32 0.07 0.28 1.79 -1.23 -3.41 116.57 112.99 1xqq h LYS 33 Ca -0.05 0.02 -0.23 0.00 -2.18 0.00 0.00 60.65 58.22 1xqq h LYS 33 Cb 0.63 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.34 1xqq h LYS 33 CO 0.02 -0.21 -1.19 0.93 -1.08 0.00 0.00 179.45 177.92 1xqq h GLU 34 N -0.55 0.14 0.00 3.15 4.39 -1.68 -3.50 114.58 116.53 1xqq h GLU 34 Ca -0.03 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1xqq h GLU 34 Cb 0.25 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1xqq h GLU 34 CO 0.06 1.12 0.00 0.41 -1.16 0.00 0.00 179.01 179.43 1xqq n GLY 35 N 1.64 1.89 3.64 -3.84 0.00 0.21 -5.01 105.19 103.72 1xqq n GLY 35 Ca -0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 4.74 0.66 -0.61 1.01 -1.23 -4.96 121.20 118.81 1xqq s ILE 36 Ca 0.00 1.64 -0.13 0.00 0.00 0.00 0.00 60.65 62.15 1xqq s ILE 36 Cb 0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1xqq s ILE 36 CO 0.00 -0.19 1.07 -2.84 0.00 0.00 0.00 174.94 172.98 1xqq s PRO 37 N 3.07 3.01 0.55 2.79 0.02 -1.26 -4.03 135.00 139.15 1xqq s PRO 37 Ca 0.38 1.13 0.30 0.00 0.02 0.00 0.00 61.00 62.83 1xqq s PRO 37 Cb -0.15 -1.99 1.60 0.00 0.02 0.00 0.00 34.50 33.98 1xqq s PRO 37 CO 0.09 -1.05 2.12 -1.35 -0.33 0.00 0.00 177.00 176.48 1xqq h PRO 38 N -0.20 0.00 0.00 5.54 0.11 -1.96 -2.43 132.00 133.07 1xqq h PRO 38 Ca -0.45 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.48 1xqq h PRO 38 Cb 1.22 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1xqq h PRO 38 CO 0.56 0.08 -0.85 -0.44 -0.21 0.00 0.00 178.00 177.15 1xqq h ASP 39 N 0.00 0.00 1.44 -2.05 3.32 -1.98 -3.22 116.42 113.94 1xqq h ASP 39 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xqq h ASP 39 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1xqq h ASP 39 CO 0.01 0.85 0.00 -0.61 -1.72 0.00 0.00 179.24 177.77 1xqq h GLN 40 N 0.00 0.00 -6.70 3.56 5.75 -1.68 -3.44 115.11 112.61 1xqq h GLN 40 Ca -0.01 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 57.99 1xqq h GLN 40 Cb 1.65 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.18 1xqq h GLN 40 CO 0.11 0.00 0.35 -0.65 -2.65 0.00 0.00 178.83 175.99 1xqq s GLN 41 N -3.32 4.81 -0.03 1.69 -0.21 -1.15 -0.30 119.66 121.15 1xqq s GLN 41 Ca 0.06 1.48 0.00 0.00 0.02 0.00 0.00 55.36 56.92 1xqq s GLN 41 Cb 0.08 -3.31 0.03 0.00 1.00 0.00 0.00 33.01 30.81 1xqq s GLN 41 CO 0.58 0.43 0.00 0.50 -2.12 0.00 0.00 175.29 174.68 1xqq s ARG 42 N -0.83 0.27 -0.25 2.91 3.52 -0.57 -4.63 118.95 119.37 1xqq s ARG 42 Ca 0.43 0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 56.07 1xqq s ARG 42 Cb -0.25 -0.48 0.00 0.00 -1.56 0.00 0.00 34.95 32.66 1xqq s ARG 42 CO 0.31 -0.15 0.00 -0.51 -0.81 0.00 0.00 175.30 174.15 1xqq s LEU 43 N 1.08 3.30 -0.09 -0.88 1.43 -1.26 -0.72 118.68 121.54 1xqq s LEU 43 Ca -0.09 -0.57 0.04 0.00 -1.03 0.00 0.00 54.13 52.48 1xqq s LEU 43 Cb -0.13 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1xqq s LEU 43 CO -0.02 -0.10 -0.23 -0.63 0.23 0.00 0.00 176.35 175.61 1xqq s ILE 44 N 1.47 2.20 -0.27 -0.59 1.01 -0.19 -1.15 121.20 123.68 1xqq s ILE 44 Ca 0.04 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1xqq s ILE 44 Cb -0.16 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.54 1xqq s ILE 44 CO -0.01 0.56 -0.05 0.12 0.00 0.00 0.00 174.94 175.56 1xqq s PHE 45 N 0.23 2.96 0.00 3.97 5.36 -0.48 -0.94 117.98 129.08 1xqq s PHE 45 Ca -0.15 -2.23 0.00 0.00 -0.96 0.00 0.00 56.93 53.60 1xqq s PHE 45 Cb -0.17 -1.99 0.00 0.00 -0.34 0.00 0.00 43.02 40.52 1xqq s PHE 45 CO 0.07 -0.86 0.00 0.00 -1.46 0.00 0.00 175.22 172.98 1xqq n ALA 46 N 4.51 0.00 -0.05 11.12 0.00 -1.26 -1.72 120.51 133.10 1xqq n ALA 46 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1xqq n ALA 46 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.50 3.70 0.00 0.00 -1.26 -5.04 105.19 102.08 1xqq n GLY 47 Ca 0.00 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.25 4.23 0.09 1.61 2.47 -0.70 -5.07 119.74 120.12 1xqq s LYS 48 Ca -0.05 0.19 -0.30 0.00 -1.56 0.00 0.00 55.97 54.25 1xqq s LYS 48 Cb 0.03 -3.48 -0.06 0.00 -1.46 0.00 0.00 37.83 32.87 1xqq s LYS 48 CO 0.42 0.11 1.07 -1.14 0.16 0.00 0.00 175.35 175.96 1xqq s GLN 49 N 0.86 4.57 -0.06 4.03 0.74 -1.26 -1.38 119.66 127.15 1xqq s GLN 49 Ca 0.19 1.61 -0.18 0.00 0.05 0.00 0.00 55.36 57.02 1xqq s GLN 49 Cb -0.14 -3.36 -0.05 0.00 1.10 0.00 0.00 33.01 30.56 1xqq s GLN 49 CO 0.07 -0.01 0.51 -0.51 -0.55 0.00 0.00 175.29 174.79 1xqq s LEU 50 N 0.40 4.36 -0.22 3.68 1.43 -0.30 -5.00 118.68 123.02 1xqq s LEU 50 Ca 0.52 0.95 -0.21 0.00 -1.03 0.00 0.00 54.13 54.36 1xqq s LEU 50 Cb -0.26 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1xqq s LEU 50 CO 0.31 0.09 0.65 -0.70 0.23 0.00 0.00 176.35 176.93 1xqq s GLU 51 N 0.07 4.17 0.09 1.70 2.12 -1.26 -4.82 118.70 120.77 1xqq s GLU 51 Ca 0.27 0.63 -0.12 0.00 0.36 0.00 0.00 54.97 56.11 1xqq s GLU 51 Cb -0.16 -3.61 0.02 0.00 0.26 0.00 0.00 34.13 30.64 1xqq s GLU 51 CO 0.13 -0.33 0.73 -0.25 -0.54 0.00 0.00 175.26 175.00 1xqq n ASP 52 N 5.39 -0.43 -1.81 -1.70 8.00 -1.26 -2.29 116.55 122.44 1xqq n ASP 52 Ca -0.00 0.84 -0.08 0.00 0.71 0.00 0.00 54.79 56.26 1xqq n ASP 52 Cb 0.49 -0.14 0.23 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.16 3.38 3.72 0.44 0.00 -1.26 -1.11 105.19 109.20 1xqq n GLY 53 Ca 0.02 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.52 2.60 0.59 1.61 0.52 -0.97 -4.99 118.95 115.78 1xqq s ARG 54 Ca 0.44 -1.04 -0.11 0.00 -0.52 0.00 0.00 55.73 54.50 1xqq s ARG 54 Cb 0.36 -2.46 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 1xqq s ARG 54 CO 0.11 0.46 1.00 0.95 0.02 0.00 0.00 175.30 177.83 1xqq s THR 55 N -1.79 4.70 -1.16 0.02 -4.23 -1.26 -2.19 115.64 109.72 1xqq s THR 55 Ca 0.29 0.88 0.13 0.00 -1.18 0.00 0.00 61.69 61.81 1xqq s THR 55 Cb -0.09 -3.84 0.16 0.00 1.34 0.00 0.00 72.50 70.06 1xqq s THR 55 CO 0.21 -1.03 1.39 0.18 -0.54 0.00 0.00 174.62 174.82 1xqq n LEU 56 N -2.48 0.00 0.06 4.79 4.32 0.06 -2.41 117.00 121.35 1xqq n LEU 56 Ca 0.06 0.42 -0.22 0.00 -0.02 0.00 0.00 56.01 56.25 1xqq n LEU 56 Cb 0.54 -0.42 -0.15 0.00 -1.62 0.00 0.00 43.42 41.78 1xqq n LEU 56 CO 0.55 -0.23 -0.21 -1.28 -1.22 0.00 0.00 177.39 175.00 1xqq h SER 57 N 0.00 0.54 0.14 -1.43 0.87 -1.59 -1.48 113.55 110.60 1xqq h SER 57 Ca 0.00 -0.92 -0.02 0.00 -1.23 0.00 0.00 61.79 59.62 1xqq h SER 57 Cb 0.19 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1xqq h SER 57 CO 0.00 1.57 -0.11 0.44 -0.53 0.00 0.00 176.83 178.21 1xqq h ASP 58 N -0.19 0.00 0.12 6.23 3.32 -1.77 -1.88 116.42 122.25 1xqq h ASP 58 Ca -0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1xqq h ASP 58 Cb 1.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.39 1xqq h ASP 58 CO 0.16 0.11 -0.34 -1.22 -1.72 0.00 0.00 179.24 176.23 1xqq n TYR 59 N -4.20 0.00 -3.31 4.55 4.01 -1.20 -5.00 117.16 112.01 1xqq n TYR 59 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1xqq n TYR 59 Cb 0.19 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.34 -4.12 -4.62 7.72 4.13 -0.63 -4.94 115.26 112.47 1xqq n ASN 60 Ca 0.11 -0.47 -0.43 0.00 1.68 0.00 0.00 54.58 55.47 1xqq n ASN 60 Cb 0.40 -4.27 -0.02 0.00 -1.54 0.00 0.00 39.78 34.35 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 -3.28 4.38 1.16 2.41 1.01 -0.77 -5.02 121.20 121.10 1xqq s ILE 61 Ca 0.28 1.49 -0.20 0.00 0.00 0.00 0.00 60.65 62.22 1xqq s ILE 61 Cb -0.12 -4.49 0.29 0.00 0.01 0.00 0.00 42.46 38.14 1xqq s ILE 61 CO 0.60 -0.71 1.10 0.00 0.00 0.00 0.00 174.94 175.93 1xqq n GLN 62 N 7.28 -2.81 -2.74 2.79 1.13 -1.26 -4.93 117.38 116.84 1xqq n GLN 62 Ca 0.12 -1.75 -0.37 0.00 -1.94 0.00 0.00 57.00 53.06 1xqq n GLN 62 Cb 0.48 -1.56 -0.06 0.00 0.11 0.00 0.00 30.24 29.21 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -5.49 4.52 -0.74 -1.09 -2.85 -1.26 -3.93 119.74 108.91 1xqq s LYS 63 Ca 0.70 1.36 -0.01 0.00 -1.00 0.00 0.00 55.97 57.02 1xqq s LYS 63 Cb -0.06 -2.76 0.00 0.00 -2.06 0.00 0.00 37.83 32.95 1xqq s LYS 63 CO 0.53 0.22 0.16 0.39 0.10 0.00 0.00 175.35 176.74 1xqq n GLU 64 N 0.47 -1.59 -3.82 1.78 1.02 0.56 -4.99 120.64 114.06 1xqq n GLU 64 Ca 0.02 0.43 -0.34 0.00 -0.02 0.00 0.00 57.16 57.25 1xqq n GLU 64 Cb 0.50 -4.34 -0.05 0.00 -0.02 0.00 0.00 31.44 27.53 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 -2.75 6.44 -0.34 1.62 0.01 -1.25 -4.75 113.70 112.68 1xqq s SER 65 Ca 0.08 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 1xqq s SER 65 Cb -0.03 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.13 1xqq s SER 65 CO 0.10 0.26 0.46 -0.89 0.41 0.00 0.00 173.24 173.58 1xqq s THR 66 N -1.30 5.07 -0.06 1.44 2.01 -1.25 -0.18 115.64 121.37 1xqq s THR 66 Ca 0.27 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 1xqq s THR 66 Cb -0.13 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1xqq s THR 66 CO 0.16 -0.15 0.74 -0.76 -0.69 0.00 0.00 174.62 173.92 1xqq s LEU 67 N 2.26 4.32 -0.58 4.42 1.43 0.40 -4.79 118.68 126.14 1xqq s LEU 67 Ca 0.16 1.25 -0.27 0.00 -1.03 0.00 0.00 54.13 54.24 1xqq s LEU 67 Cb -0.16 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 42.94 1xqq s LEU 67 CO 0.12 -0.14 1.15 -1.00 0.23 0.00 0.00 176.35 176.72 1xqq s HIS 68 N 0.86 2.63 -0.49 0.29 3.76 -0.11 -1.59 115.29 120.63 1xqq s HIS 68 Ca 0.39 0.33 -0.25 0.00 -0.15 0.00 0.00 55.06 55.38 1xqq s HIS 68 Cb -0.18 -4.44 0.03 0.00 1.11 0.00 0.00 32.58 29.10 1xqq s HIS 68 CO 0.19 -1.56 0.95 -1.17 -0.85 0.00 0.00 174.74 172.30 1xqq s LEU 69 N 4.81 3.98 0.39 0.89 2.96 -0.89 -1.02 118.68 129.81 1xqq s LEU 69 Ca 0.41 0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.40 1xqq s LEU 69 Cb -0.08 -3.11 -0.05 0.00 0.50 0.00 0.00 46.19 43.44 1xqq s LEU 69 CO 0.24 -1.13 0.16 0.68 -1.32 0.00 0.00 176.35 174.98 1xqq s VAL 70 N 3.90 2.46 -0.18 1.68 -7.23 0.10 -2.03 120.40 119.10 1xqq s VAL 70 Ca 0.36 -1.73 -0.23 0.00 -1.81 0.00 0.00 61.98 58.58 1xqq s VAL 70 Cb -0.10 -2.97 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1xqq s VAL 70 CO 0.25 -0.05 0.72 -0.22 -0.31 0.00 0.00 175.10 175.49 1xqq s LEU 71 N -3.87 4.16 -0.35 1.32 2.96 -1.26 -1.51 118.68 120.13 1xqq s LEU 71 Ca 0.40 0.99 -0.19 0.00 -0.22 0.00 0.00 54.13 55.12 1xqq s LEU 71 Cb 0.02 -3.05 -0.00 0.00 0.50 0.00 0.00 46.19 43.66 1xqq s LEU 71 CO 0.22 -0.33 0.54 -0.60 -1.32 0.00 0.00 176.35 174.87 1xqq s ARG 72 N 1.99 3.65 0.60 1.98 3.52 0.59 -4.81 118.95 126.47 1xqq s ARG 72 Ca 0.33 -0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.77 1xqq s ARG 72 Cb -0.16 -3.80 -0.00 0.00 -1.56 0.00 0.00 34.95 29.43 1xqq s ARG 72 CO 0.11 -0.65 0.94 -0.51 -0.81 0.00 0.00 175.30 174.37 1xqq s LEU 73 N 2.47 3.22 0.35 -0.88 1.43 -1.26 -4.55 118.68 119.46 1xqq s LEU 73 Ca 0.20 0.89 -0.28 0.00 -1.03 0.00 0.00 54.13 53.91 1xqq s LEU 73 Cb -0.15 -3.75 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 1xqq s LEU 73 CO 0.13 -1.03 1.34 -0.13 0.23 0.00 0.00 176.35 176.89 1xqq s ARG 74 N -5.05 4.26 0.00 1.70 1.81 -1.26 -4.51 118.95 115.90 1xqq s ARG 74 Ca 0.54 2.27 0.00 0.00 -1.72 0.00 0.00 55.73 56.82 1xqq s ARG 74 Cb -0.11 -3.01 0.00 0.00 -0.45 0.00 0.00 34.95 31.38 1xqq s ARG 74 CO 0.47 -0.29 0.00 0.41 -0.68 0.00 0.00 175.30 175.22 1xqq n GLY 75 N 0.72 -0.18 0.00 -3.53 0.00 -1.26 -5.30 105.19 95.64 1xqq n GLY 75 Ca 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93