#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 4.24 0.38 3.17 -2.07 -1.26 -0.97 119.66 123.15 1xqq s GLN 2 Ca 0.00 0.79 0.08 0.00 -1.82 0.00 0.00 55.36 54.41 1xqq s GLN 2 Cb 0.00 -3.20 -0.04 0.00 -1.09 0.00 0.00 33.01 28.68 1xqq s GLN 2 CO 0.00 0.61 0.23 0.96 -1.32 0.00 0.00 175.29 175.77 1xqq s ILE 3 N -1.16 2.77 -0.08 3.63 -4.36 -0.69 -0.99 121.20 120.31 1xqq s ILE 3 Ca 0.31 -1.57 -0.01 0.00 -0.26 0.00 0.00 60.65 59.13 1xqq s ILE 3 Cb -0.20 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.47 1xqq s ILE 3 CO 0.20 -0.08 -0.04 -0.36 0.24 0.00 0.00 174.94 174.90 1xqq s PHE 4 N -2.48 3.03 -0.14 1.37 0.08 -0.16 -2.36 117.98 117.32 1xqq s PHE 4 Ca 0.42 0.06 0.01 0.00 0.12 0.00 0.00 56.93 57.54 1xqq s PHE 4 Cb -0.01 -1.76 0.02 0.00 -0.57 0.00 0.00 43.02 40.70 1xqq s PHE 4 CO 0.24 0.35 -0.18 0.08 -0.10 0.00 0.00 175.22 175.62 1xqq s VAL 5 N -0.74 1.75 -0.12 -0.44 1.01 -0.42 -0.87 120.40 120.56 1xqq s VAL 5 Ca 0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1xqq s VAL 5 Cb -0.11 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1xqq s VAL 5 CO 0.02 0.49 0.26 -0.54 0.00 0.00 0.00 175.10 175.33 1xqq s LYS 6 N 1.11 3.96 0.30 2.72 1.02 0.14 -0.15 119.74 128.84 1xqq s LYS 6 Ca -0.02 0.08 -0.00 0.00 0.02 0.00 0.00 55.97 56.04 1xqq s LYS 6 Cb -0.14 -3.32 0.06 0.00 -0.52 0.00 0.00 37.83 33.91 1xqq s LYS 6 CO -0.06 0.49 0.42 0.25 -0.92 0.00 0.00 175.35 175.53 1xqq n THR 7 N 2.76 0.00 0.12 2.17 -2.24 -0.94 0.83 114.28 116.98 1xqq n THR 7 Ca -0.15 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 60.87 1xqq n THR 7 Cb 0.53 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.46 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 -0.25 -0.85 3.22 5.85 -1.84 -3.05 115.31 118.38 1xqq h LEU 8 Ca -0.14 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1xqq h LEU 8 Cb 0.50 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 1xqq h LEU 8 CO 0.14 0.06 0.45 0.71 -0.34 0.00 0.00 178.44 179.46 1xqq h THR 9 N -0.57 1.25 0.00 1.05 1.35 -1.96 -3.48 112.91 110.56 1xqq h THR 9 Ca -0.03 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1xqq h THR 9 Cb 0.42 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 1xqq h THR 9 CO 0.05 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.22 1xqq n GLY 10 N -1.09 0.77 3.80 5.82 0.00 -1.15 -5.13 105.19 108.21 1xqq n GLY 10 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1xqq n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 11 N 0.00 4.38 -0.58 1.61 1.02 -1.26 -4.75 119.74 120.15 1xqq s LYS 11 Ca 0.00 0.95 -0.20 0.00 0.02 0.00 0.00 55.97 56.74 1xqq s LYS 11 Cb 0.00 -3.17 0.08 0.00 -0.52 0.00 0.00 37.83 34.22 1xqq s LYS 11 CO 0.00 0.55 0.75 0.99 -0.92 0.00 0.00 175.35 176.73 1xqq s THR 12 N -1.22 4.71 -0.29 2.17 2.01 -1.26 -2.21 115.64 119.54 1xqq s THR 12 Ca 0.35 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 1xqq s THR 12 Cb -0.20 -4.49 -0.02 0.00 0.01 0.00 0.00 72.50 67.80 1xqq s THR 12 CO 0.23 -1.11 0.50 -0.63 -0.69 0.00 0.00 174.62 172.92 1xqq s ILE 13 N 3.03 5.06 -0.55 1.82 1.01 0.79 -4.96 121.20 127.40 1xqq s ILE 13 Ca 0.16 0.69 -0.24 0.00 0.00 0.00 0.00 60.65 61.25 1xqq s ILE 13 Cb -0.21 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.45 1xqq s ILE 13 CO 0.09 -0.00 0.93 -0.89 0.00 0.00 0.00 174.94 175.07 1xqq s THR 14 N 2.32 4.40 -0.21 2.92 2.01 -1.26 -1.30 115.64 124.52 1xqq s THR 14 Ca 0.20 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.45 1xqq s THR 14 Cb -0.16 -4.54 0.04 0.00 0.01 0.00 0.00 72.50 67.85 1xqq s THR 14 CO 0.11 -1.11 -0.16 -0.22 -0.69 0.00 0.00 174.62 172.54 1xqq s LEU 15 N 3.90 2.56 -0.71 4.42 2.96 -1.00 -4.99 118.68 125.83 1xqq s LEU 15 Ca 0.30 -0.91 -0.27 0.00 -0.22 0.00 0.00 54.13 53.02 1xqq s LEU 15 Cb -0.13 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 45.12 1xqq s LEU 15 CO 0.19 -0.08 1.34 -0.70 -1.32 0.00 0.00 176.35 175.78 1xqq s GLU 16 N 1.25 3.15 0.09 1.98 2.12 -1.26 -1.71 118.70 124.32 1xqq s GLU 16 Ca -0.00 -0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.32 1xqq s GLU 16 Cb -0.16 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 30.01 1xqq s GLU 16 CO -0.10 -2.18 -0.23 0.14 -0.54 0.00 0.00 175.26 172.35 1xqq s VAL 17 N 6.07 1.91 0.01 3.70 -7.23 -0.14 -4.86 120.40 119.86 1xqq s VAL 17 Ca 0.40 -1.53 -0.12 0.00 -1.81 0.00 0.00 61.98 58.92 1xqq s VAL 17 Cb -0.09 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 1xqq s VAL 17 CO 0.17 0.08 0.36 -1.61 -0.31 0.00 0.00 175.10 173.79 1xqq s GLU 18 N -1.75 3.79 0.27 4.82 0.41 -1.26 0.43 118.70 125.41 1xqq s GLU 18 Ca 0.09 0.25 0.22 0.00 -0.41 0.00 0.00 54.97 55.12 1xqq s GLU 18 Cb -0.10 -3.14 1.03 0.00 -1.78 0.00 0.00 34.13 30.14 1xqq s GLU 18 CO 0.04 0.66 1.67 -0.35 -0.49 0.00 0.00 175.26 176.79 1xqq n PRO 19 N 1.54 0.16 0.00 0.39 -0.04 -1.26 -0.34 135.00 135.45 1xqq n PRO 19 Ca -0.13 0.51 0.05 0.00 -0.04 0.00 0.00 63.50 63.90 1xqq n PRO 19 Cb 0.53 -1.89 0.24 0.00 -0.04 0.00 0.00 33.50 32.34 1xqq n PRO 19 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xqq n SER 20 N -2.22 0.00 -4.74 3.54 3.41 -1.26 -1.89 113.62 110.47 1xqq n SER 20 Ca 0.01 0.49 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 1xqq n SER 20 Cb 0.14 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.56 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xqq s ASP 21 N -2.99 6.99 0.44 4.04 1.01 0.54 -4.85 116.67 121.85 1xqq s ASP 21 Ca 0.06 2.33 -0.15 0.00 0.71 0.00 0.00 52.55 55.49 1xqq s ASP 21 Cb 0.07 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 1xqq s ASP 21 CO 0.21 -0.45 0.89 0.42 0.21 0.00 0.00 175.17 176.44 1xqq s THR 22 N -0.02 4.60 0.35 -1.27 -4.23 -1.26 -2.50 115.64 111.32 1xqq s THR 22 Ca 0.54 1.07 0.11 0.00 -1.18 0.00 0.00 61.69 62.23 1xqq s THR 22 Cb -0.35 -3.69 0.34 0.00 1.34 0.00 0.00 72.50 70.14 1xqq s THR 22 CO 0.38 -0.51 1.81 0.40 -0.54 0.00 0.00 174.62 176.16 1xqq h ILE 23 N 1.28 0.70 -0.83 2.99 1.08 -0.90 0.14 117.51 121.97 1xqq h ILE 23 Ca -0.47 -0.21 0.18 0.00 -0.39 0.00 0.00 64.86 63.97 1xqq h ILE 23 Cb 1.18 0.03 -0.11 0.00 -3.07 0.00 0.00 36.82 34.85 1xqq h ILE 23 CO 0.63 0.11 0.34 -0.08 -0.69 0.00 0.00 178.15 178.46 1xqq h GLU 24 N 0.62 0.41 0.00 2.37 4.81 -1.59 -0.38 114.58 120.82 1xqq h GLU 24 Ca 0.53 -0.02 -0.16 0.00 -0.13 0.00 0.00 59.36 59.57 1xqq h GLU 24 Cb 1.02 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1xqq h GLU 24 CO -0.29 0.27 -1.43 0.09 -0.73 0.00 0.00 179.01 176.93 1xqq n ASN 25 N -5.03 0.83 0.10 1.04 3.02 0.30 -1.93 115.26 113.59 1xqq n ASN 25 Ca 0.18 0.36 -0.13 0.00 -0.03 0.00 0.00 54.58 54.96 1xqq n ASN 25 Cb 0.53 0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 39.84 1xqq n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1xqq h VAL 26 N 0.00 0.93 -0.86 2.41 2.07 -0.88 -1.00 116.25 118.91 1xqq h VAL 26 Ca -0.16 -0.36 0.23 0.00 0.82 0.00 0.00 66.70 67.22 1xqq h VAL 26 Cb 1.57 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 1xqq h VAL 26 CO 0.04 0.09 0.60 0.11 0.02 0.00 0.00 177.57 178.43 1xqq h LYS 27 N -0.38 0.15 -0.53 1.57 1.57 -1.10 0.12 116.57 117.97 1xqq h LYS 27 Ca -0.02 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1xqq h LYS 27 Cb 0.30 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1xqq h LYS 27 CO 0.04 0.10 -0.11 0.00 -0.57 0.00 0.00 179.45 178.91 1xqq h ALA 28 N 1.60 0.81 -0.22 3.86 0.00 -1.08 -1.24 119.26 122.99 1xqq h ALA 28 Ca 0.43 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xqq h ALA 28 Cb 1.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xqq h ALA 28 CO -0.07 0.66 -0.39 0.87 0.00 0.00 0.00 179.25 180.32 1xqq h LYS 29 N 0.88 0.49 0.13 0.00 1.57 0.37 -0.28 116.57 119.73 1xqq h LYS 29 Ca 0.14 -0.24 -0.28 0.00 -1.87 0.00 0.00 60.65 58.40 1xqq h LYS 29 Cb 0.66 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.98 1xqq h LYS 29 CO 0.05 0.81 -1.23 0.82 -0.57 0.00 0.00 179.45 179.32 1xqq h ILE 30 N 0.41 1.47 -0.50 1.86 2.04 -1.24 0.75 117.51 122.30 1xqq h ILE 30 Ca 0.04 -2.95 0.10 0.00 1.00 0.00 0.00 64.86 63.05 1xqq h ILE 30 Cb 0.87 2.90 -0.10 0.00 -0.74 0.00 0.00 36.82 39.74 1xqq h ILE 30 CO 0.07 0.87 -0.15 -0.61 0.00 0.00 0.00 178.15 178.32 1xqq h GLN 31 N 0.10 -0.03 -0.44 2.37 4.15 -1.17 -1.66 115.11 118.43 1xqq h GLN 31 Ca -0.14 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.32 1xqq h GLN 31 Cb 1.95 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.62 1xqq h GLN 31 CO 0.21 -0.02 0.30 0.22 -1.93 0.00 0.00 178.83 177.60 1xqq h ASP 32 N -0.03 0.38 0.01 -0.69 3.58 -0.80 -0.06 116.42 118.80 1xqq h ASP 32 Ca 0.24 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.69 1xqq h ASP 32 Cb 0.40 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1xqq h ASP 32 CO -0.54 0.26 -0.00 0.11 -2.88 0.00 0.00 179.24 176.19 1xqq h LYS 33 N 0.44 -0.01 0.10 0.28 1.57 -0.49 -3.43 116.57 115.03 1xqq h LYS 33 Ca 0.18 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.61 1xqq h LYS 33 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1xqq h LYS 33 CO -0.05 -0.00 -1.95 0.39 -0.57 0.00 0.00 179.45 177.27 1xqq n GLU 34 N -2.05 0.73 0.00 3.15 -0.58 -0.65 -5.03 120.64 116.21 1xqq n GLU 34 Ca -0.00 0.27 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1xqq n GLU 34 Cb 0.00 -1.72 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 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 1.91 0.69 3.09 0.62 0.00 -0.04 -5.04 105.19 106.42 1xqq n GLY 35 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.35 2.61 0.90 -0.61 1.01 -1.25 -5.03 121.20 117.48 1xqq s ILE 36 Ca 0.00 -1.85 -0.11 0.00 0.00 0.00 0.00 60.65 58.68 1xqq s ILE 36 Cb 0.00 -2.69 0.11 0.00 0.01 0.00 0.00 42.46 39.90 1xqq s ILE 36 CO 0.00 -0.33 1.01 -2.65 0.00 0.00 0.00 174.94 172.97 1xqq n PRO 37 N 4.46 -0.29 0.24 2.79 -0.02 -1.26 -3.94 135.00 136.97 1xqq n PRO 37 Ca -0.06 -0.02 0.13 0.00 -2.02 0.00 0.00 63.50 61.53 1xqq n PRO 37 Cb 0.42 -2.28 0.35 0.00 -0.02 0.00 0.00 33.50 31.97 1xqq n PRO 37 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xqq h PRO 38 N -1.61 0.00 -0.23 0.52 0.13 -1.93 -2.68 132.00 126.20 1xqq h PRO 38 Ca -0.44 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.49 1xqq h PRO 38 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1xqq h PRO 38 CO 0.41 0.03 -0.66 -0.44 -0.23 0.00 0.00 178.00 177.11 1xqq h ASP 39 N 0.00 0.97 0.05 1.44 3.32 -1.97 -2.74 116.42 117.49 1xqq h ASP 39 Ca -0.00 -0.58 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 1xqq h ASP 39 Cb 0.85 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 1xqq h ASP 39 CO 0.00 1.38 -0.05 -0.61 -1.72 0.00 0.00 179.24 178.25 1xqq h GLN 40 N 0.62 0.00 -6.79 3.56 4.15 -1.71 -3.43 115.11 111.51 1xqq h GLN 40 Ca -0.02 0.00 -0.49 0.00 0.77 0.00 0.00 58.65 58.91 1xqq h GLN 40 Cb 1.28 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 1xqq h GLN 40 CO 0.14 0.05 0.37 -0.65 -1.93 0.00 0.00 178.83 176.81 1xqq s GLN 41 N -4.94 4.76 -0.13 1.69 -0.21 -1.03 0.64 119.66 120.44 1xqq s GLN 41 Ca -0.05 1.51 0.02 0.00 0.02 0.00 0.00 55.36 56.86 1xqq s GLN 41 Cb 0.17 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 31.03 1xqq s GLN 41 CO 0.67 0.41 -0.18 1.03 -2.12 0.00 0.00 175.29 175.11 1xqq s ARG 42 N -1.41 2.54 -0.17 2.91 0.52 -0.13 -4.74 118.95 118.47 1xqq s ARG 42 Ca 0.44 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.92 1xqq s ARG 42 Cb -0.26 -2.13 -0.03 0.00 0.52 0.00 0.00 34.95 33.05 1xqq s ARG 42 CO 0.32 -0.07 0.01 -0.51 0.02 0.00 0.00 175.30 175.07 1xqq s LEU 43 N 1.00 3.53 -0.23 2.53 1.43 -1.26 -1.30 118.68 124.37 1xqq s LEU 43 Ca -0.05 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1xqq s LEU 43 Cb -0.15 -1.87 0.06 0.00 0.03 0.00 0.00 46.19 44.26 1xqq s LEU 43 CO -0.03 0.17 -0.05 -0.63 0.23 0.00 0.00 176.35 176.04 1xqq s ILE 44 N 0.38 1.48 -0.15 -0.59 1.01 -0.36 -1.20 121.20 121.77 1xqq s ILE 44 Ca -0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.29 1xqq s ILE 44 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 1xqq s ILE 44 CO 0.02 -0.12 0.38 0.12 0.00 0.00 0.00 174.94 175.34 1xqq s PHE 45 N 1.41 3.47 0.00 3.97 5.36 -0.95 -0.82 117.98 130.43 1xqq s PHE 45 Ca -0.05 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.64 1xqq s PHE 45 Cb -0.19 -2.45 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 1xqq s PHE 45 CO -0.06 0.18 0.00 0.00 -1.46 0.00 0.00 175.22 173.88 1xqq n ALA 46 N 3.72 0.00 -1.98 11.12 0.00 -1.26 -2.17 120.51 129.94 1xqq n ALA 46 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.39 1xqq n ALA 46 Cb 0.52 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.06 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 2.82 2.78 0.00 0.00 -1.26 -5.02 105.19 104.50 1xqq n GLY 47 Ca 0.00 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.45 0.12 -0.10 1.61 2.20 -0.92 -5.12 119.74 116.08 1xqq s LYS 48 Ca 0.31 0.16 -0.26 0.00 -0.36 0.00 0.00 55.97 55.83 1xqq s LYS 48 Cb 0.33 -0.40 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1xqq s LYS 48 CO -0.09 -0.18 0.81 -1.14 -0.36 0.00 0.00 175.35 174.39 1xqq s GLN 49 N 1.21 4.40 0.06 4.03 0.74 -1.26 -2.24 119.66 126.61 1xqq s GLN 49 Ca -0.07 1.05 -0.22 0.00 0.05 0.00 0.00 55.36 56.16 1xqq s GLN 49 Cb -0.13 -3.50 -0.06 0.00 1.10 0.00 0.00 33.01 30.41 1xqq s GLN 49 CO -0.03 -0.12 0.67 -0.51 -0.55 0.00 0.00 175.29 174.75 1xqq s LEU 50 N 1.41 4.49 -0.08 3.68 1.43 -0.35 -5.01 118.68 124.25 1xqq s LEU 50 Ca 0.41 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1xqq s LEU 50 Cb -0.18 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.94 1xqq s LEU 50 CO 0.18 0.15 0.02 -0.70 0.23 0.00 0.00 176.35 176.22 1xqq s GLU 51 N -0.58 3.01 0.18 1.70 2.12 -1.26 -4.73 118.70 119.14 1xqq s GLU 51 Ca 0.33 -0.39 -0.21 0.00 0.36 0.00 0.00 54.97 55.06 1xqq s GLU 51 Cb -0.20 -2.82 0.12 0.00 0.26 0.00 0.00 34.13 31.48 1xqq s GLU 51 CO 0.21 0.70 1.59 -0.44 -0.54 0.00 0.00 175.26 176.78 1xqq h ASP 52 N 5.07 -1.13 0.00 -1.70 3.32 -1.95 -2.11 116.42 117.91 1xqq h ASP 52 Ca -0.51 0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1xqq h ASP 52 Cb 1.19 0.56 0.00 0.00 0.22 0.00 0.00 39.33 41.30 1xqq h ASP 52 CO 0.55 -0.30 -0.02 0.61 -1.72 0.00 0.00 179.24 178.35 1xqq n GLY 53 N -1.43 0.05 3.82 2.75 0.00 -1.26 -1.57 105.19 107.55 1xqq n GLY 53 Ca 0.04 -0.47 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.04 3.12 0.61 1.61 1.81 -0.79 -4.81 118.95 118.45 1xqq s ARG 54 Ca 0.36 1.00 0.02 0.00 -1.72 0.00 0.00 55.73 55.38 1xqq s ARG 54 Cb 0.21 -2.01 0.07 0.00 -0.45 0.00 0.00 34.95 32.76 1xqq s ARG 54 CO 0.35 -0.95 0.84 0.95 -0.68 0.00 0.00 175.30 175.81 1xqq s THR 55 N -2.89 2.45 0.39 0.02 -4.23 -1.26 -1.61 115.64 108.50 1xqq s THR 55 Ca 0.59 -0.68 0.14 0.00 -1.18 0.00 0.00 61.69 60.55 1xqq s THR 55 Cb -0.14 -2.76 0.12 0.00 1.34 0.00 0.00 72.50 71.06 1xqq s THR 55 CO 0.49 0.00 1.88 -0.07 -0.54 0.00 0.00 174.62 176.38 1xqq h LEU 56 N -0.10 0.00 -0.65 4.79 3.38 -1.39 -2.92 115.31 118.42 1xqq h LEU 56 Ca -0.39 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 56 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1xqq h LEU 56 CO 0.47 0.31 0.01 -1.28 0.09 0.00 0.00 178.44 178.04 1xqq h SER 57 N 0.00 1.04 -0.30 -0.43 0.87 -1.68 0.54 113.55 113.59 1xqq h SER 57 Ca -0.00 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1xqq h SER 57 Cb 0.56 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1xqq h SER 57 CO 0.04 1.08 0.16 0.44 -0.53 0.00 0.00 176.83 178.02 1xqq h ASP 58 N 0.97 0.42 1.48 6.23 3.32 -1.81 -1.06 116.42 125.97 1xqq h ASP 58 Ca 0.17 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1xqq h ASP 58 Cb 0.55 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1xqq h ASP 58 CO 0.03 0.36 -0.52 1.88 -1.72 0.00 0.00 179.24 179.27 1xqq h TYR 59 N 0.47 0.00 -3.47 4.55 0.05 -1.54 -3.48 116.97 113.55 1xqq h TYR 59 Ca 0.12 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 1xqq h TYR 59 Cb 0.06 0.00 0.07 0.00 1.01 0.00 0.00 36.73 37.87 1xqq h TYR 59 CO 0.00 0.04 -0.30 0.09 -1.05 0.00 0.00 178.16 176.95 1xqq n ASN 60 N -2.91 -2.32 -4.67 3.88 4.13 -0.26 -5.01 115.26 108.09 1xqq n ASN 60 Ca 0.02 -0.24 -0.43 0.00 1.68 0.00 0.00 54.58 55.61 1xqq n ASN 60 Cb 0.56 -2.25 -0.03 0.00 -1.54 0.00 0.00 39.78 36.52 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 -3.14 4.74 0.30 2.41 1.01 0.02 -5.01 121.20 121.54 1xqq s ILE 61 Ca 0.03 1.96 0.03 0.00 0.00 0.00 0.00 60.65 62.68 1xqq s ILE 61 Cb -0.00 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.22 1xqq s ILE 61 CO 0.28 -0.10 0.29 0.00 0.00 0.00 0.00 174.94 175.41 1xqq n GLN 62 N 5.81 0.97 -2.00 2.79 6.02 -1.26 -4.79 117.38 124.92 1xqq n GLN 62 Ca 0.10 -1.79 -0.35 0.00 -0.01 0.00 0.00 57.00 54.95 1xqq n GLN 62 Cb 0.47 0.09 0.03 0.00 1.02 0.00 0.00 30.24 31.85 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 -3.28 2.97 -1.58 -1.09 0.00 -1.26 -2.96 119.74 112.55 1xqq s LYS 63 Ca 0.22 1.73 -0.16 0.00 0.00 0.00 0.00 55.97 57.76 1xqq s LYS 63 Cb -0.02 -1.94 0.13 0.00 0.00 0.00 0.00 37.83 36.00 1xqq s LYS 63 CO 0.14 -1.18 0.76 0.39 0.00 0.00 0.00 175.35 175.46 1xqq n GLU 64 N -1.70 -3.59 -3.52 1.78 1.02 -0.16 -4.98 120.64 109.48 1xqq n GLU 64 Ca 0.13 0.42 -0.38 0.00 -0.02 0.00 0.00 57.16 57.32 1xqq n GLU 64 Cb 0.50 -5.18 -0.06 0.00 -0.02 0.00 0.00 31.44 26.68 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 -3.15 6.69 -0.34 1.62 0.01 -1.16 -4.78 113.70 112.60 1xqq s SER 65 Ca 0.66 0.82 -0.11 0.00 1.31 0.00 0.00 55.95 58.64 1xqq s SER 65 Cb -0.36 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1xqq s SER 65 CO 0.82 0.26 0.19 -0.89 0.41 0.00 0.00 173.24 174.02 1xqq s THR 66 N -0.62 4.72 0.28 1.44 2.01 -1.26 -0.98 115.64 121.23 1xqq s THR 66 Ca 0.22 -0.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.51 1xqq s THR 66 Cb -0.15 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.79 1xqq s THR 66 CO 0.10 -0.04 0.76 -0.76 -0.69 0.00 0.00 174.62 174.00 1xqq s LEU 67 N 1.62 4.23 -0.15 4.42 1.02 -0.05 -4.70 118.68 125.06 1xqq s LEU 67 Ca 0.04 1.44 -0.02 0.00 0.02 0.00 0.00 54.13 55.60 1xqq s LEU 67 Cb -0.18 -3.84 -0.02 0.00 0.02 0.00 0.00 46.19 42.17 1xqq s LEU 67 CO 0.07 -0.08 -0.07 -2.28 0.02 0.00 0.00 176.35 174.02 1xqq s HIS 68 N -1.72 2.95 -0.17 0.29 2.46 -0.00 -0.68 115.29 118.42 1xqq s HIS 68 Ca 0.48 -0.45 -0.22 0.00 0.47 0.00 0.00 55.06 55.35 1xqq s HIS 68 Cb -0.14 -1.93 -0.03 0.00 -0.13 0.00 0.00 32.58 30.36 1xqq s HIS 68 CO 0.20 -0.12 0.68 -1.17 -2.47 0.00 0.00 174.74 171.86 1xqq s LEU 69 N 0.41 4.18 0.05 8.88 2.96 0.24 -1.23 118.68 134.18 1xqq s LEU 69 Ca -0.06 0.97 0.06 0.00 -0.22 0.00 0.00 54.13 54.88 1xqq s LEU 69 Cb -0.15 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1xqq s LEU 69 CO 0.04 -0.26 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.98 1xqq s VAL 70 N 1.73 3.14 0.18 1.68 1.01 -0.42 -2.41 120.40 125.31 1xqq s VAL 70 Ca 0.32 -1.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 1xqq s VAL 70 Cb -0.16 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 1xqq s VAL 70 CO 0.12 0.30 0.51 -0.76 0.00 0.00 0.00 175.10 175.27 1xqq s LEU 71 N -1.61 4.24 -0.11 3.92 1.43 -1.26 -0.96 118.68 124.33 1xqq s LEU 71 Ca 0.17 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1xqq s LEU 71 Cb -0.11 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 1xqq s LEU 71 CO 0.08 0.01 0.02 -0.60 0.23 0.00 0.00 176.35 176.09 1xqq s ARG 72 N -2.51 3.24 0.79 1.70 3.52 0.21 -4.83 118.95 121.07 1xqq s ARG 72 Ca 0.43 -0.38 -0.07 0.00 -0.13 0.00 0.00 55.73 55.59 1xqq s ARG 72 Cb -0.12 -2.91 0.14 0.00 -1.56 0.00 0.00 34.95 30.50 1xqq s ARG 72 CO 0.21 0.61 1.10 -0.51 -0.81 0.00 0.00 175.30 175.90 1xqq s LEU 73 N -0.60 2.87 -0.34 -0.88 1.02 -1.26 -4.51 118.68 114.98 1xqq s LEU 73 Ca 0.10 -0.04 -0.12 0.00 0.02 0.00 0.00 54.13 54.10 1xqq s LEU 73 Cb -0.12 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.82 1xqq s LEU 73 CO 0.02 -2.10 0.22 -0.60 0.02 0.00 0.00 176.35 173.91 1xqq s ARG 74 N -5.40 3.39 0.00 1.70 3.52 -1.26 -4.30 118.95 116.60 1xqq s ARG 74 Ca 0.68 -0.71 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 1xqq s ARG 74 Cb -0.06 -3.75 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1xqq s ARG 74 CO 0.47 -0.47 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 1xqq n GLY 75 N 5.07 1.06 0.00 8.12 0.00 -1.26 -5.27 105.19 112.91 1xqq n GLY 75 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93