#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 3.73 0.15 3.17 -0.21 -1.26 -0.24 119.66 125.00 1xqq s GLN 2 Ca 0.00 0.15 0.07 0.00 0.02 0.00 0.00 55.36 55.60 1xqq s GLN 2 Cb 0.00 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1xqq s GLN 2 CO 0.00 0.33 -0.16 0.96 -2.12 0.00 0.00 175.29 174.30 1xqq s ILE 3 N -1.83 1.56 0.22 1.08 -4.36 -0.21 0.18 121.20 117.84 1xqq s ILE 3 Ca 0.45 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 59.06 1xqq s ILE 3 Cb -0.11 -1.71 -0.04 0.00 1.25 0.00 0.00 42.46 41.85 1xqq s ILE 3 CO 0.24 -0.39 0.17 -0.36 0.24 0.00 0.00 174.94 174.84 1xqq s PHE 4 N -2.18 3.12 -0.15 1.37 0.08 0.30 -0.93 117.98 119.60 1xqq s PHE 4 Ca 0.13 -0.08 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 1xqq s PHE 4 Cb -0.05 -1.44 0.07 0.00 -0.57 0.00 0.00 43.02 41.03 1xqq s PHE 4 CO 0.05 0.52 0.31 0.08 -0.10 0.00 0.00 175.22 176.07 1xqq s VAL 5 N -1.99 -0.47 -0.22 -0.44 1.01 -0.74 -0.65 120.40 116.90 1xqq s VAL 5 Ca 0.32 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1xqq s VAL 5 Cb -0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1xqq s VAL 5 CO 0.24 0.10 0.01 -0.75 0.00 0.00 0.00 175.10 174.71 1xqq s LYS 6 N 2.44 3.56 0.98 2.72 2.20 -0.48 -0.79 119.74 130.37 1xqq s LYS 6 Ca 0.00 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.91 1xqq s LYS 6 Cb -0.12 -3.13 0.24 0.00 -1.51 0.00 0.00 37.83 33.31 1xqq s LYS 6 CO -0.10 -0.11 1.01 0.25 -0.36 0.00 0.00 175.35 176.04 1xqq n THR 7 N 4.63 0.00 0.07 3.43 -2.24 -1.02 -0.77 114.28 118.38 1xqq n THR 7 Ca -0.17 -0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 60.92 1xqq n THR 7 Cb 0.51 -1.33 -0.07 0.00 -2.10 0.00 0.00 70.33 67.35 1xqq n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1xqq h LEU 8 N 0.00 -1.22 0.14 3.22 5.85 -1.92 -3.09 115.31 118.29 1xqq h LEU 8 Ca -0.36 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1xqq h LEU 8 Cb 1.06 0.47 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1xqq h LEU 8 CO 0.24 -0.45 -0.07 0.71 -0.34 0.00 0.00 178.44 178.53 1xqq h THR 9 N -0.57 0.90 0.00 1.05 1.35 -1.94 -3.49 112.91 110.21 1xqq h THR 9 Ca 0.04 -1.19 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1xqq h THR 9 Cb 0.64 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1xqq h THR 9 CO -0.30 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 175.82 1xqq n GLY 10 N 0.67 0.00 3.36 5.82 0.00 -1.17 -5.12 105.19 108.75 1xqq n GLY 10 Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.49 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 3.03 -0.66 1.61 2.20 -1.26 -4.82 119.74 119.85 1xqq s LYS 11 Ca 0.00 -1.38 -0.26 0.00 -0.36 0.00 0.00 55.97 53.97 1xqq s LYS 11 Cb 0.00 -4.26 0.04 0.00 -1.51 0.00 0.00 37.83 32.10 1xqq s LYS 11 CO 0.00 -1.46 1.14 0.99 -0.36 0.00 0.00 175.35 175.66 1xqq s THR 12 N 2.42 4.03 0.61 3.43 2.01 -1.26 -2.43 115.64 124.44 1xqq s THR 12 Ca 0.10 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.39 1xqq s THR 12 Cb -0.25 -4.77 0.05 0.00 0.01 0.00 0.00 72.50 67.54 1xqq s THR 12 CO 0.06 -1.54 0.87 0.27 -0.69 0.00 0.00 174.62 173.59 1xqq s ILE 13 N 4.91 2.51 0.12 1.82 -4.36 0.03 -4.88 121.20 121.35 1xqq s ILE 13 Ca 0.33 -0.51 0.10 0.00 -0.26 0.00 0.00 60.65 60.31 1xqq s ILE 13 Cb -0.11 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 1xqq s ILE 13 CO 0.17 0.00 -0.25 -0.89 0.24 0.00 0.00 174.94 174.21 1xqq s THR 14 N -2.95 2.09 -0.02 8.37 2.01 -1.26 -1.79 115.64 122.09 1xqq s THR 14 Ca 0.58 -1.69 -0.05 0.00 0.31 0.00 0.00 61.69 60.85 1xqq s THR 14 Cb -0.10 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.54 1xqq s THR 14 CO 0.41 0.05 0.11 -0.76 -0.69 0.00 0.00 174.62 173.73 1xqq s LEU 15 N -2.00 1.64 -0.42 4.42 1.43 -0.11 -4.89 118.68 118.75 1xqq s LEU 15 Ca 0.12 -0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 15 Cb -0.10 0.47 0.08 0.00 0.03 0.00 0.00 46.19 46.66 1xqq s LEU 15 CO 0.05 -0.20 0.27 -1.61 0.23 0.00 0.00 176.35 175.10 1xqq s GLU 16 N -0.69 2.63 -0.11 1.70 8.01 -1.26 -1.05 118.70 127.94 1xqq s GLU 16 Ca -0.08 -1.45 0.04 0.00 0.01 0.00 0.00 54.97 53.49 1xqq s GLU 16 Cb -0.05 -3.81 0.00 0.00 -4.31 0.00 0.00 34.13 25.96 1xqq s GLU 16 CO 0.01 -0.96 -0.23 0.14 0.01 0.00 0.00 175.26 174.22 1xqq s VAL 17 N 1.44 2.02 -0.00 2.63 -7.23 0.67 -4.89 120.40 115.04 1xqq s VAL 17 Ca 0.03 -0.99 -0.21 0.00 -1.81 0.00 0.00 61.98 59.01 1xqq s VAL 17 Cb -0.23 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1xqq s VAL 17 CO 0.02 0.55 0.60 -1.61 -0.31 0.00 0.00 175.10 174.36 1xqq s GLU 18 N 0.48 4.33 0.00 4.82 2.02 -1.26 -0.73 118.70 128.36 1xqq s GLU 18 Ca -0.16 0.75 0.24 0.00 0.02 0.00 0.00 54.97 55.82 1xqq s GLU 18 Cb -0.17 -3.34 1.39 0.00 0.10 0.00 0.00 34.13 32.11 1xqq s GLU 18 CO 0.06 0.36 1.78 -0.35 0.02 0.00 0.00 175.26 177.13 1xqq n PRO 19 N 2.73 0.71 0.20 0.39 -0.04 -1.26 -2.70 135.00 135.03 1xqq n PRO 19 Ca -0.07 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1xqq n PRO 19 Cb 0.51 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.89 1xqq n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xqq h SER 20 N 0.00 0.00 -3.86 3.54 0.02 -1.97 -2.37 113.55 108.91 1xqq h SER 20 Ca 0.00 0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.50 1xqq h SER 20 Cb 0.02 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.70 1xqq h SER 20 CO 0.00 0.32 0.37 -1.81 -1.14 0.00 0.00 176.83 174.57 1xqq s ASP 21 N -6.45 3.57 0.62 3.07 1.01 -1.10 -4.85 116.67 112.53 1xqq s ASP 21 Ca -0.01 0.27 -0.14 0.00 0.71 0.00 0.00 52.55 53.39 1xqq s ASP 21 Cb 0.12 -0.46 -0.03 0.00 1.01 0.00 0.00 42.92 43.56 1xqq s ASP 21 CO 0.67 -2.44 1.04 0.42 0.21 0.00 0.00 175.17 175.07 1xqq s THR 22 N -3.72 4.14 0.18 -1.27 -4.23 -1.26 -3.45 115.64 106.04 1xqq s THR 22 Ca 0.71 0.86 0.14 0.00 -1.18 0.00 0.00 61.69 62.22 1xqq s THR 22 Cb -0.05 -3.52 0.03 0.00 1.34 0.00 0.00 72.50 70.29 1xqq s THR 22 CO 0.51 -0.75 1.61 0.40 -0.54 0.00 0.00 174.62 175.85 1xqq h ILE 23 N 0.04 1.21 -0.93 2.99 1.08 -1.05 -1.58 117.51 119.26 1xqq h ILE 23 Ca -0.45 -2.03 0.19 0.00 -0.39 0.00 0.00 64.86 62.18 1xqq h ILE 23 Cb 1.21 2.15 -0.08 0.00 -3.07 0.00 0.00 36.82 37.03 1xqq h ILE 23 CO 0.59 0.54 0.60 -0.08 -0.69 0.00 0.00 178.15 179.11 1xqq h GLU 24 N 0.00 0.52 0.00 2.37 4.81 -1.28 -0.92 114.58 120.08 1xqq h GLU 24 Ca -0.01 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1xqq h GLU 24 Cb 1.11 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 1xqq h GLU 24 CO 0.07 0.34 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.58 1xqq h ASN 25 N 0.54 0.00 -0.05 1.04 2.35 -1.58 -1.61 115.58 116.27 1xqq h ASN 25 Ca 0.50 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.25 1xqq h ASN 25 Cb 1.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 1xqq h ASN 25 CO -0.23 0.21 0.01 0.58 -1.65 0.00 0.00 177.43 176.35 1xqq h VAL 26 N 0.00 0.98 -0.01 2.81 2.07 -1.05 -3.32 116.25 117.73 1xqq h VAL 26 Ca -0.00 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.39 1xqq h VAL 26 Cb 1.16 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 1xqq h VAL 26 CO 0.03 0.01 -0.55 0.11 0.02 0.00 0.00 177.57 177.18 1xqq h LYS 27 N 0.03 0.03 -0.29 1.57 1.57 -0.81 -2.73 116.57 115.94 1xqq h LYS 27 Ca 0.02 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1xqq h LYS 27 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xqq h LYS 27 CO -0.03 0.57 -0.17 0.00 -0.57 0.00 0.00 179.45 179.26 1xqq h ALA 28 N 1.42 1.16 0.00 3.86 0.00 -1.45 -2.73 119.26 121.53 1xqq h ALA 28 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1xqq h ALA 28 Cb 0.98 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xqq h ALA 28 CO 0.07 0.53 -0.13 -0.22 0.00 0.00 0.00 179.25 179.50 1xqq h LYS 29 N 0.47 0.00 -0.11 0.00 1.63 -1.58 -1.14 116.57 115.85 1xqq h LYS 29 Ca 0.08 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.66 1xqq h LYS 29 Cb 0.57 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1xqq h LYS 29 CO 0.04 0.13 -0.79 0.82 -3.45 0.00 0.00 179.45 176.21 1xqq h ILE 30 N 0.00 1.30 -0.17 2.00 2.04 -1.50 -1.62 117.51 119.56 1xqq h ILE 30 Ca -0.00 -2.01 -0.07 0.00 1.00 0.00 0.00 64.86 63.78 1xqq h ILE 30 Cb 0.99 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 1xqq h ILE 30 CO 0.02 0.63 -0.20 -0.61 0.00 0.00 0.00 178.15 177.98 1xqq h GLN 31 N 0.42 0.30 0.40 2.37 4.15 -1.14 0.70 115.11 122.31 1xqq h GLN 31 Ca -0.07 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 1xqq h GLN 31 Cb 1.43 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1xqq h GLN 31 CO 0.16 0.50 -0.19 0.22 -1.93 0.00 0.00 178.83 177.59 1xqq h ASP 32 N 0.28 -0.46 0.72 -0.69 1.82 -1.27 -3.19 116.42 113.63 1xqq h ASP 32 Ca 0.05 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1xqq h ASP 32 Cb 0.52 0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.64 1xqq h ASP 32 CO 0.03 -0.02 -0.46 0.50 -1.61 0.00 0.00 179.24 177.68 1xqq h LYS 33 N -1.06 -1.07 0.00 0.28 3.64 -1.17 -3.40 116.57 113.79 1xqq h LYS 33 Ca -0.06 0.07 -0.42 0.00 -1.27 0.00 0.00 60.65 58.98 1xqq h LYS 33 Cb 0.51 0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1xqq h LYS 33 CO 0.09 -0.72 -2.41 0.39 -2.27 0.00 0.00 179.45 174.54 1xqq n GLU 34 N -5.34 0.55 0.00 1.90 -0.58 0.14 -5.04 120.64 112.26 1xqq n GLU 34 Ca -0.14 0.22 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 1xqq n GLU 34 Cb 0.47 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.57 1.73 3.45 0.62 0.00 -0.60 -5.01 105.19 106.96 1xqq n GLY 35 Ca -0.49 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.10 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 4.70 0.65 -0.61 1.01 -1.25 -4.90 121.20 118.81 1xqq s ILE 36 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 1xqq s ILE 36 Cb 0.00 -4.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.04 1xqq s ILE 36 CO 0.00 -1.00 1.13 -2.16 0.00 0.00 0.00 174.94 172.91 1xqq s PRO 37 N 3.07 2.77 0.66 2.79 0.04 -1.26 -3.87 135.00 139.19 1xqq s PRO 37 Ca 0.18 1.48 0.44 0.00 0.04 0.00 0.00 61.00 63.15 1xqq s PRO 37 Cb -0.18 -1.94 2.39 0.00 0.04 0.00 0.00 34.50 34.80 1xqq s PRO 37 CO 0.12 -1.29 2.35 -1.00 0.04 0.00 0.00 177.00 177.22 1xqq h PRO 38 N 0.14 0.00 0.00 0.56 0.13 -1.94 -2.35 132.00 128.54 1xqq h PRO 38 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1xqq h PRO 38 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xqq h PRO 38 CO 0.54 0.00 -0.09 0.38 -0.23 0.00 0.00 178.00 178.60 1xqq h ASP 39 N 0.00 0.00 1.09 1.44 2.03 -1.95 -3.00 116.42 116.04 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1xqq h ASP 39 CO 0.00 0.09 -0.21 0.00 -1.03 0.00 0.00 179.24 178.09 1xqq n GLN 40 N -3.14 0.17 -3.40 4.15 6.02 -0.89 -4.39 117.38 115.90 1xqq n GLN 40 Ca 0.03 0.10 -0.39 0.00 -0.01 0.00 0.00 57.00 56.73 1xqq n GLN 40 Cb 0.51 -1.66 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 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 -3.08 3.93 -0.32 -1.09 -0.21 -1.13 -1.66 119.66 116.10 1xqq s GLN 41 Ca 0.10 -0.06 -0.20 0.00 0.02 0.00 0.00 55.36 55.23 1xqq s GLN 41 Cb 0.15 -3.68 -0.01 0.00 1.00 0.00 0.00 33.01 30.47 1xqq s GLN 41 CO 0.62 -0.32 0.61 0.50 -2.12 0.00 0.00 175.29 174.58 1xqq s ARG 42 N 2.05 3.84 -0.32 2.91 3.52 -0.82 -4.76 118.95 125.38 1xqq s ARG 42 Ca 0.14 0.21 -0.09 0.00 -0.13 0.00 0.00 55.73 55.86 1xqq s ARG 42 Cb -0.16 -3.74 0.01 0.00 -1.56 0.00 0.00 34.95 29.49 1xqq s ARG 42 CO 0.10 -0.59 0.14 -1.17 -0.81 0.00 0.00 175.30 172.98 1xqq s LEU 43 N 2.58 4.20 0.16 -0.88 2.96 -1.26 -2.72 118.68 123.71 1xqq s LEU 43 Ca 0.24 -0.71 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1xqq s LEU 43 Cb -0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.53 1xqq s LEU 43 CO 0.12 -0.24 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.12 1xqq s ILE 44 N 1.56 2.89 0.00 6.68 1.01 -0.38 -1.89 121.20 131.07 1xqq s ILE 44 Ca 0.03 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 59.02 1xqq s ILE 44 Cb -0.18 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1xqq s ILE 44 CO 0.05 -0.02 0.00 0.33 0.00 0.00 0.00 174.94 175.30 1xqq n PHE 45 N 0.40 0.00 0.00 3.97 7.35 -0.89 -1.51 117.46 126.77 1xqq n PHE 45 Ca -0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.56 1xqq n PHE 45 Cb 0.54 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.37 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq n ALA 46 N -0.74 1.68 -0.04 3.13 0.00 -1.26 -4.60 120.51 118.68 1xqq n ALA 46 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.35 1xqq n ALA 46 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 2.92 -0.55 3.75 0.00 0.00 -1.26 -5.06 105.19 104.99 1xqq n GLY 47 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.42 2.77 -0.02 1.61 1.02 -1.26 -5.04 119.74 116.39 1xqq s LYS 48 Ca -0.05 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.14 1xqq s LYS 48 Cb 0.04 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1xqq s LYS 48 CO 0.47 0.54 0.13 1.14 -0.92 0.00 0.00 175.35 176.71 1xqq s GLN 49 N -2.48 3.26 0.37 1.68 -2.07 -1.26 -2.10 119.66 117.05 1xqq s GLN 49 Ca 0.28 -0.37 -0.25 0.00 -1.82 0.00 0.00 55.36 53.21 1xqq s GLN 49 Cb -0.12 -2.99 -0.10 0.00 -1.09 0.00 0.00 33.01 28.71 1xqq s GLN 49 CO 0.21 0.68 0.99 -0.51 -1.32 0.00 0.00 175.29 175.34 1xqq s LEU 50 N -1.69 4.21 0.12 2.60 1.43 -0.79 -4.98 118.68 119.58 1xqq s LEU 50 Ca 0.23 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.31 1xqq s LEU 50 Cb -0.12 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 1xqq s LEU 50 CO 0.14 -0.29 -0.03 -1.61 0.23 0.00 0.00 176.35 174.80 1xqq s GLU 51 N -2.37 2.39 0.08 1.70 2.02 -1.26 -4.82 118.70 116.44 1xqq s GLU 51 Ca 0.55 -0.98 -0.36 0.00 0.02 0.00 0.00 54.97 54.20 1xqq s GLU 51 Cb -0.19 -2.42 -0.18 0.00 0.10 0.00 0.00 34.13 31.44 1xqq s GLU 51 CO 0.24 0.50 1.57 -0.44 0.02 0.00 0.00 175.26 177.16 1xqq h ASP 52 N 3.22 -1.29 -0.80 -0.19 3.32 -1.98 -3.17 116.42 115.54 1xqq h ASP 52 Ca -0.48 0.09 -0.46 0.00 0.02 0.00 0.00 57.03 56.21 1xqq h ASP 52 Cb 1.18 0.41 -0.24 0.00 0.22 0.00 0.00 39.33 40.89 1xqq h ASP 52 CO 0.57 -0.69 0.59 0.61 -1.72 0.00 0.00 179.24 178.60 1xqq n GLY 53 N -1.58 4.39 3.44 2.75 0.00 -1.26 -0.89 105.19 112.04 1xqq n GLY 53 Ca -0.13 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.79 1.60 0.48 1.61 1.81 -1.20 -4.96 118.95 115.51 1xqq s ARG 54 Ca 0.48 -1.74 0.08 0.00 -1.72 0.00 0.00 55.73 52.83 1xqq s ARG 54 Cb 0.39 -1.59 0.02 0.00 -0.45 0.00 0.00 34.95 33.32 1xqq s ARG 54 CO 0.06 0.27 0.51 0.95 -0.68 0.00 0.00 175.30 176.41 1xqq s THR 55 N -2.64 2.42 -0.11 0.02 -4.23 -1.26 -1.35 115.64 108.48 1xqq s THR 55 Ca 0.28 -1.23 0.14 0.00 -1.18 0.00 0.00 61.69 59.71 1xqq s THR 55 Cb -0.03 -2.65 0.04 0.00 1.34 0.00 0.00 72.50 71.20 1xqq s THR 55 CO 0.13 0.00 1.44 -0.07 -0.54 0.00 0.00 174.62 175.58 1xqq h LEU 56 N 0.71 0.00 0.89 4.79 4.07 -1.54 -2.31 115.31 121.93 1xqq h LEU 56 Ca -0.38 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.54 1xqq h LEU 56 Cb 1.28 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.03 1xqq h LEU 56 CO 0.51 0.54 -0.45 0.28 -1.08 0.00 0.00 178.44 178.25 1xqq h SER 57 N 0.00 -1.08 0.12 -0.43 0.02 -1.73 -2.20 113.55 108.24 1xqq h SER 57 Ca -0.01 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1xqq h SER 57 Cb 1.40 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 1xqq h SER 57 CO 0.07 -0.75 -0.28 -0.78 -1.14 0.00 0.00 176.83 173.95 1xqq h ASP 58 N -1.23 0.27 0.91 3.07 3.58 -1.85 -0.38 116.42 120.80 1xqq h ASP 58 Ca -0.12 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.24 1xqq h ASP 58 Cb 0.95 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1xqq h ASP 58 CO 0.19 0.55 0.00 1.88 -2.88 0.00 0.00 179.24 178.98 1xqq h TYR 59 N 0.24 0.00 -5.72 0.28 0.05 -1.50 -3.48 116.97 106.85 1xqq h TYR 59 Ca 0.04 0.00 -0.34 0.00 0.05 0.00 0.00 58.73 58.47 1xqq h TYR 59 Cb 0.63 0.00 0.15 0.00 1.01 0.00 0.00 36.73 38.52 1xqq h TYR 59 CO 0.01 0.00 -0.78 0.09 -1.05 0.00 0.00 178.16 176.43 1xqq n ASN 60 N -2.99 -2.05 -4.67 3.88 3.02 -0.15 -5.03 115.26 107.26 1xqq n ASN 60 Ca 0.00 -0.66 -0.38 0.00 -0.03 0.00 0.00 54.58 53.52 1xqq n ASN 60 Cb 0.28 -4.95 -0.08 0.00 -0.61 0.00 0.00 39.78 34.42 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 -3.41 5.24 0.78 2.41 1.01 -0.85 -5.06 121.20 121.31 1xqq s ILE 61 Ca 0.02 0.61 -0.08 0.00 0.00 0.00 0.00 60.65 61.20 1xqq s ILE 61 Cb -0.00 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.90 1xqq s ILE 61 CO 0.74 0.28 1.09 -1.10 0.00 0.00 0.00 174.94 175.96 1xqq s GLN 62 N 1.18 1.65 0.57 2.79 -0.21 -1.26 -4.76 119.66 119.61 1xqq s GLN 62 Ca 0.17 -0.50 -0.18 0.00 0.02 0.00 0.00 55.36 54.87 1xqq s GLN 62 Cb -0.14 -2.12 -0.05 0.00 1.00 0.00 0.00 33.01 31.70 1xqq s GLN 62 CO 0.07 -1.61 1.08 -1.59 -2.12 0.00 0.00 175.29 171.12 1xqq s LYS 63 N -5.40 3.35 -1.45 2.91 -2.85 -1.26 -3.65 119.74 111.40 1xqq s LYS 63 Ca 0.65 1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 56.89 1xqq s LYS 63 Cb -0.08 -2.03 0.05 0.00 -2.06 0.00 0.00 37.83 33.72 1xqq s LYS 63 CO 0.47 -0.81 1.02 0.39 0.10 0.00 0.00 175.35 176.52 1xqq n GLU 64 N -1.67 -6.22 -4.36 1.78 1.02 0.13 -4.97 120.64 106.34 1xqq n GLU 64 Ca 0.10 0.68 -0.34 0.00 -0.02 0.00 0.00 57.16 57.58 1xqq n GLU 64 Cb 0.52 -5.59 -0.09 0.00 -0.02 0.00 0.00 31.44 26.26 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 -3.46 5.12 -0.25 1.62 0.15 -1.24 -4.84 113.70 110.80 1xqq s SER 65 Ca 0.55 0.06 -0.12 0.00 0.70 0.00 0.00 55.95 57.14 1xqq s SER 65 Cb -0.27 -1.38 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 1xqq s SER 65 CO 0.80 0.33 0.21 -0.89 1.20 0.00 0.00 173.24 174.89 1xqq s THR 66 N -0.96 5.31 0.03 6.45 2.01 -1.26 -0.54 115.64 126.68 1xqq s THR 66 Ca 0.16 0.28 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 1xqq s THR 66 Cb -0.11 -3.55 -0.05 0.00 0.01 0.00 0.00 72.50 68.79 1xqq s THR 66 CO 0.06 0.30 0.33 -0.76 -0.69 0.00 0.00 174.62 173.85 1xqq s LEU 67 N 1.32 4.37 -0.19 4.42 1.43 0.17 -4.87 118.68 125.35 1xqq s LEU 67 Ca 0.09 0.69 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1xqq s LEU 67 Cb -0.14 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1xqq s LEU 67 CO 0.07 0.24 -0.05 -1.00 0.23 0.00 0.00 176.35 175.83 1xqq s HIS 68 N -1.30 2.96 -0.22 0.29 3.76 -0.57 -1.38 115.29 118.83 1xqq s HIS 68 Ca 0.29 -0.66 -0.10 0.00 -0.15 0.00 0.00 55.06 54.44 1xqq s HIS 68 Cb -0.14 -2.02 -0.05 0.00 1.11 0.00 0.00 32.58 31.49 1xqq s HIS 68 CO 0.16 -0.32 0.13 -0.51 -0.85 0.00 0.00 174.74 173.36 1xqq s LEU 69 N 0.94 4.07 0.49 0.89 1.43 0.05 -1.25 118.68 125.30 1xqq s LEU 69 Ca -0.00 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1xqq s LEU 69 Cb -0.15 -2.07 -0.02 0.00 0.03 0.00 0.00 46.19 43.98 1xqq s LEU 69 CO 0.01 0.11 0.02 0.68 0.23 0.00 0.00 176.35 177.39 1xqq s VAL 70 N 0.79 1.16 -0.19 -1.59 -7.23 -1.10 -3.60 120.40 108.64 1xqq s VAL 70 Ca 0.07 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.99 1xqq s VAL 70 Cb -0.13 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 1xqq s VAL 70 CO 0.02 0.00 0.81 -0.22 -0.31 0.00 0.00 175.10 175.40 1xqq s LEU 71 N -3.84 4.15 0.14 1.32 2.96 -1.26 -1.94 118.68 120.21 1xqq s LEU 71 Ca 0.09 1.11 -0.08 0.00 -0.22 0.00 0.00 54.13 55.04 1xqq s LEU 71 Cb 0.02 -3.19 -0.06 0.00 0.50 0.00 0.00 46.19 43.47 1xqq s LEU 71 CO 0.05 -0.41 0.43 -0.60 -1.32 0.00 0.00 176.35 174.50 1xqq s ARG 72 N 2.25 3.71 0.74 1.98 3.52 -0.67 -4.82 118.95 125.67 1xqq s ARG 72 Ca 0.36 0.09 -0.07 0.00 -0.13 0.00 0.00 55.73 55.99 1xqq s ARG 72 Cb -0.16 -2.85 0.09 0.00 -1.56 0.00 0.00 34.95 30.47 1xqq s ARG 72 CO 0.11 0.46 1.05 -0.51 -0.81 0.00 0.00 175.30 175.61 1xqq s LEU 73 N -2.44 2.84 -0.03 -0.88 1.43 -1.26 -4.41 118.68 113.94 1xqq s LEU 73 Ca 0.40 0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.73 1xqq s LEU 73 Cb -0.13 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 1xqq s LEU 73 CO 0.22 -1.81 0.29 -0.09 0.23 0.00 0.00 176.35 175.19 1xqq h ARG 74 N -0.74 -0.15 0.00 1.70 9.65 -2.00 -3.47 114.38 119.37 1xqq h ARG 74 Ca -0.43 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1xqq h ARG 74 Cb 1.29 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 1xqq h ARG 74 CO 0.53 -0.10 0.00 0.41 2.80 0.00 0.00 179.97 183.61 1xqq n GLY 75 N 1.15 1.63 0.00 2.80 0.00 -1.26 -5.04 105.19 104.47 1xqq n GLY 75 Ca -0.02 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93