#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 3.66 0.07 3.17 1.11 -1.26 0.04 119.66 126.46 1xqq s GLN 2 Ca 0.00 0.12 0.01 0.00 0.01 0.00 0.00 55.36 55.50 1xqq s GLN 2 Cb 0.00 -3.19 -0.04 0.00 -1.01 0.00 0.00 33.01 28.77 1xqq s GLN 2 CO 0.00 0.73 -0.06 0.96 0.01 0.00 0.00 175.29 176.93 1xqq s ILE 3 N -1.07 0.55 -0.11 1.08 -4.36 -0.13 -0.48 121.20 116.68 1xqq s ILE 3 Ca 0.20 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1xqq s ILE 3 Cb -0.14 -1.32 -0.02 0.00 1.25 0.00 0.00 42.46 42.23 1xqq s ILE 3 CO 0.09 -0.76 -0.11 -0.36 0.24 0.00 0.00 174.94 174.05 1xqq s PHE 4 N -3.02 2.84 -0.24 1.37 0.08 0.28 -0.65 117.98 118.64 1xqq s PHE 4 Ca 0.04 -0.36 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 1xqq s PHE 4 Cb 0.01 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 1xqq s PHE 4 CO -0.04 0.00 0.08 0.08 -0.10 0.00 0.00 175.22 175.24 1xqq s VAL 5 N -0.09 4.48 -0.30 -0.44 1.01 0.10 -1.10 120.40 124.06 1xqq s VAL 5 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 1xqq s VAL 5 Cb -0.14 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1xqq s VAL 5 CO 0.03 0.34 0.12 -0.75 0.00 0.00 0.00 175.10 174.85 1xqq s LYS 6 N 1.48 3.30 -0.22 2.72 2.20 0.64 -1.57 119.74 128.29 1xqq s LYS 6 Ca 0.06 -0.73 -0.09 0.00 -0.36 0.00 0.00 55.97 54.84 1xqq s LYS 6 Cb -0.15 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 1xqq s LYS 6 CO 0.04 -0.40 0.12 0.99 -0.36 0.00 0.00 175.35 175.75 1xqq s THR 7 N 1.58 5.17 -0.17 3.43 2.01 -0.93 0.25 115.64 126.98 1xqq s THR 7 Ca 0.04 0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.90 1xqq s THR 7 Cb -0.17 -3.38 -0.23 0.00 0.01 0.00 0.00 72.50 68.73 1xqq s THR 7 CO 0.05 0.39 0.51 -0.07 -0.69 0.00 0.00 174.62 174.81 1xqq h LEU 8 N 7.19 0.02 -7.21 4.42 4.07 -1.85 -3.19 115.31 118.76 1xqq h LEU 8 Ca -0.38 -0.77 -0.78 0.00 0.08 0.00 0.00 57.88 56.03 1xqq h LEU 8 Cb 1.17 -0.01 -0.23 0.00 1.08 0.00 0.00 40.66 42.67 1xqq h LEU 8 CO 0.68 1.26 1.11 0.41 -1.08 0.00 0.00 178.44 180.82 1xqq n THR 9 N -4.49 4.63 0.00 0.22 -1.04 -1.26 -4.67 114.28 107.67 1xqq n THR 9 Ca -0.21 -5.14 0.00 0.00 -2.04 0.00 0.00 64.05 56.66 1xqq n THR 9 Cb 0.59 -2.38 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 1xqq n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xqq n GLY 10 N 2.74 -0.81 3.92 3.41 0.00 -1.26 -5.08 105.19 108.11 1xqq n GLY 10 Ca 0.31 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.71 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 0.51 -0.25 1.61 -2.85 -1.21 -4.99 119.74 112.57 1xqq s LYS 11 Ca 0.00 -0.33 -0.13 0.00 -1.00 0.00 0.00 55.97 54.51 1xqq s LYS 11 Cb 0.00 0.15 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1xqq s LYS 11 CO 0.00 -0.24 0.29 0.99 0.10 0.00 0.00 175.35 176.49 1xqq s THR 12 N -2.11 5.25 0.06 3.79 2.01 -1.26 -2.18 115.64 121.20 1xqq s THR 12 Ca 0.26 0.43 0.03 0.00 0.31 0.00 0.00 61.69 62.72 1xqq s THR 12 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1xqq s THR 12 CO -0.00 0.24 0.05 0.27 -0.69 0.00 0.00 174.62 174.48 1xqq s ILE 13 N 1.61 4.35 -0.30 1.82 -4.36 -0.61 -4.96 121.20 118.75 1xqq s ILE 13 Ca 0.13 -0.76 -0.05 0.00 -0.26 0.00 0.00 60.65 59.71 1xqq s ILE 13 Cb -0.15 -3.06 0.03 0.00 1.25 0.00 0.00 42.46 40.53 1xqq s ILE 13 CO 0.08 0.19 0.04 -0.89 0.24 0.00 0.00 174.94 174.61 1xqq s THR 14 N -1.30 3.50 -0.02 8.37 2.01 -1.26 -0.72 115.64 126.23 1xqq s THR 14 Ca 0.26 -1.03 0.03 0.00 0.31 0.00 0.00 61.69 61.26 1xqq s THR 14 Cb -0.12 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1xqq s THR 14 CO 0.18 -0.01 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.26 1xqq s LEU 15 N 1.39 3.10 -0.31 4.42 1.43 0.17 -4.95 118.68 123.93 1xqq s LEU 15 Ca -0.01 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.82 1xqq s LEU 15 Cb -0.18 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1xqq s LEU 15 CO 0.01 0.31 0.31 -1.61 0.23 0.00 0.00 176.35 175.60 1xqq s GLU 16 N -1.19 3.74 0.10 1.70 2.02 -1.26 -0.96 118.70 122.86 1xqq s GLU 16 Ca 0.15 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.87 1xqq s GLU 16 Cb -0.11 -3.74 -0.04 0.00 0.10 0.00 0.00 34.13 30.35 1xqq s GLU 16 CO 0.05 -0.38 -0.13 0.14 0.02 0.00 0.00 175.26 174.95 1xqq s VAL 17 N 1.94 1.19 -0.11 2.63 -7.23 0.11 -4.93 120.40 114.01 1xqq s VAL 17 Ca 0.11 -1.60 -0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1xqq s VAL 17 Cb -0.16 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.36 1xqq s VAL 17 CO 0.11 -0.40 0.03 -0.70 -0.31 0.00 0.00 175.10 173.83 1xqq s GLU 18 N -2.47 3.23 0.00 4.82 2.12 -1.26 0.33 118.70 125.47 1xqq s GLU 18 Ca 0.06 -0.36 0.22 0.00 0.36 0.00 0.00 54.97 55.24 1xqq s GLU 18 Cb -0.06 -2.92 0.95 0.00 0.26 0.00 0.00 34.13 32.37 1xqq s GLU 18 CO 0.02 0.63 1.71 -0.35 -0.54 0.00 0.00 175.26 176.73 1xqq n PRO 19 N 2.39 0.01 0.17 4.30 -0.04 -1.26 -2.76 135.00 137.81 1xqq n PRO 19 Ca -0.18 0.12 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1xqq n PRO 19 Cb 0.54 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.59 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 -3.80 3.54 0.02 -1.97 -2.18 113.55 109.16 1xqq h SER 20 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1xqq h SER 20 Cb 0.38 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.96 1xqq h SER 20 CO 0.00 0.04 0.20 -1.81 -1.14 0.00 0.00 176.83 174.12 1xqq s ASP 21 N -5.89 6.27 0.71 3.07 1.11 -1.11 -4.74 116.67 116.09 1xqq s ASP 21 Ca 0.04 1.08 -0.11 0.00 0.18 0.00 0.00 52.55 53.74 1xqq s ASP 21 Cb 0.07 -2.32 0.01 0.00 1.07 0.00 0.00 42.92 41.76 1xqq s ASP 21 CO 0.72 -0.65 1.08 0.42 1.18 0.00 0.00 175.17 177.93 1xqq s THR 22 N -2.84 3.64 0.24 -1.27 -4.23 -1.26 -3.36 115.64 106.55 1xqq s THR 22 Ca 0.50 0.53 -0.05 0.00 -1.18 0.00 0.00 61.69 61.49 1xqq s THR 22 Cb -0.10 -3.47 0.13 0.00 1.34 0.00 0.00 72.50 70.39 1xqq s THR 22 CO 0.47 -0.70 1.76 0.40 -0.54 0.00 0.00 174.62 176.01 1xqq h ILE 23 N -0.68 1.25 -1.18 2.99 1.08 -1.19 -1.27 117.51 118.51 1xqq h ILE 23 Ca -0.45 -0.94 0.36 0.00 -0.39 0.00 0.00 64.86 63.45 1xqq h ILE 23 Cb 1.24 0.64 -0.12 0.00 -3.07 0.00 0.00 36.82 35.52 1xqq h ILE 23 CO 0.62 0.35 0.75 -0.08 -0.69 0.00 0.00 178.15 179.11 1xqq h GLU 24 N 0.93 0.21 -0.14 2.37 4.57 -1.71 0.10 114.58 120.91 1xqq h GLU 24 Ca 0.19 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1xqq h GLU 24 Cb 0.37 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.91 1xqq h GLU 24 CO 0.00 0.14 -0.34 -0.91 -1.18 0.00 0.00 179.01 176.72 1xqq h ASN 25 N 0.21 0.53 -0.75 1.04 2.35 -1.54 -2.79 115.58 114.64 1xqq h ASN 25 Ca 0.73 -0.58 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1xqq h ASN 25 Cb 2.10 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 40.25 1xqq h ASN 25 CO -0.40 1.02 0.42 0.58 -1.65 0.00 0.00 177.43 177.39 1xqq h VAL 26 N 0.08 0.94 0.00 2.81 2.07 -0.82 -0.56 116.25 120.76 1xqq h VAL 26 Ca -0.00 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1xqq h VAL 26 Cb 0.95 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1xqq h VAL 26 CO 0.07 0.13 -0.09 0.11 0.02 0.00 0.00 177.57 177.82 1xqq h LYS 27 N 0.74 0.00 0.00 1.57 1.57 -0.91 -1.36 116.57 118.18 1xqq h LYS 27 Ca 0.35 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.90 1xqq h LYS 27 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1xqq h LYS 27 CO -0.22 0.09 -0.96 0.00 -0.57 0.00 0.00 179.45 177.80 1xqq h ALA 28 N 1.91 0.34 -0.11 3.86 0.00 -0.84 -1.53 119.26 122.89 1xqq h ALA 28 Ca -0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 54.91 54.00 1xqq h ALA 28 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xqq h ALA 28 CO 0.01 0.81 -0.73 0.87 0.00 0.00 0.00 179.25 180.21 1xqq h LYS 29 N 0.24 0.54 -0.30 0.00 1.57 -0.66 -0.46 116.57 117.50 1xqq h LYS 29 Ca -0.08 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 1xqq h LYS 29 Cb 1.60 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.98 1xqq h LYS 29 CO 0.17 1.06 -0.12 0.82 -0.57 0.00 0.00 179.45 180.81 1xqq h ILE 30 N 0.37 1.23 0.21 1.86 2.04 -1.32 0.11 117.51 122.02 1xqq h ILE 30 Ca -0.03 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.80 1xqq h ILE 30 Cb 1.32 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 1xqq h ILE 30 CO 0.13 0.33 -0.10 -0.61 0.00 0.00 0.00 178.15 177.91 1xqq h GLN 31 N 0.48 -0.27 -0.34 2.37 4.15 -0.94 -1.46 115.11 119.09 1xqq h GLN 31 Ca 0.09 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.53 1xqq h GLN 31 Cb 0.49 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1xqq h GLN 31 CO 0.03 -0.12 0.22 0.22 -1.93 0.00 0.00 178.83 177.25 1xqq h ASP 32 N -0.36 0.37 0.68 -0.69 1.82 -0.90 -1.04 116.42 116.31 1xqq h ASP 32 Ca -0.03 -0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 1xqq h ASP 32 Cb 0.28 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.20 1xqq h ASP 32 CO 0.05 0.27 -0.33 0.50 -1.61 0.00 0.00 179.24 178.12 1xqq h LYS 33 N 0.45 -0.88 0.10 0.28 1.63 -0.75 -3.39 116.57 114.01 1xqq h LYS 33 Ca 0.13 0.06 -0.30 0.00 -0.85 0.00 0.00 60.65 59.69 1xqq h LYS 33 Cb -0.04 0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1xqq h LYS 33 CO -0.04 -0.57 -1.57 0.93 -3.45 0.00 0.00 179.45 174.76 1xqq h GLU 34 N -1.20 0.21 0.00 1.90 4.39 -1.33 -3.49 114.58 115.07 1xqq h GLU 34 Ca -0.09 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1xqq h GLU 34 Cb 0.72 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1xqq h GLU 34 CO 0.15 1.17 0.00 0.41 -1.16 0.00 0.00 179.01 179.58 1xqq n GLY 35 N 1.76 1.97 3.24 -3.84 0.00 -0.39 -5.07 105.19 102.86 1xqq n GLY 35 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 4.56 0.94 -0.61 1.01 -1.24 -5.06 121.20 118.81 1xqq s ILE 36 Ca 0.00 -1.71 -0.11 0.00 0.00 0.00 0.00 60.65 58.84 1xqq s ILE 36 Cb 0.00 -3.97 0.14 0.00 0.01 0.00 0.00 42.46 38.64 1xqq s ILE 36 CO 0.00 -0.81 1.02 -2.65 0.00 0.00 0.00 174.94 172.50 1xqq n PRO 37 N 5.00 -0.57 -0.44 2.79 -0.02 -1.26 -3.60 135.00 136.90 1xqq n PRO 37 Ca -0.10 -0.11 0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1xqq n PRO 37 Cb 0.41 -2.28 0.31 0.00 -0.02 0.00 0.00 33.50 31.92 1xqq n PRO 37 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xqq n PRO 38 N -3.90 3.14 0.07 0.52 -0.04 -1.26 -2.22 135.00 131.30 1xqq n PRO 38 Ca 0.11 -2.68 0.13 0.00 -0.04 0.00 0.00 63.50 61.02 1xqq n PRO 38 Cb 0.52 -1.66 0.37 0.00 -0.04 0.00 0.00 33.50 32.69 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xqq n ASP 39 N 1.23 0.61 -0.36 3.54 5.75 -1.26 -3.91 116.55 122.16 1xqq n ASP 39 Ca 0.23 0.37 0.13 0.00 -0.01 0.00 0.00 54.79 55.51 1xqq n ASP 39 Cb 0.71 -0.40 0.41 0.00 -1.03 0.00 0.00 41.12 40.81 1xqq n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xqq n GLN 40 N -2.02 1.20 -3.51 0.11 6.02 -0.94 -4.85 117.38 113.38 1xqq n GLN 40 Ca 0.05 -0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 55.95 1xqq n GLN 40 Cb 0.41 -1.48 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 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 -2.31 4.19 -0.32 -1.09 -0.21 -1.25 -3.49 119.66 115.19 1xqq s GLN 41 Ca 0.29 0.18 0.03 0.00 0.02 0.00 0.00 55.36 55.88 1xqq s GLN 41 Cb 0.20 -3.39 0.09 0.00 1.00 0.00 0.00 33.01 30.90 1xqq s GLN 41 CO 0.45 0.30 0.01 1.03 -2.12 0.00 0.00 175.29 174.96 1xqq s ARG 42 N 0.25 1.77 -0.40 2.91 0.52 -0.34 -5.02 118.95 118.63 1xqq s ARG 42 Ca 0.19 -1.70 -0.13 0.00 -0.52 0.00 0.00 55.73 53.57 1xqq s ARG 42 Cb -0.14 -3.13 0.03 0.00 0.52 0.00 0.00 34.95 32.23 1xqq s ARG 42 CO 0.06 -0.82 0.28 -1.17 0.02 0.00 0.00 175.30 173.66 1xqq s LEU 43 N 0.98 5.03 -0.10 2.53 0.20 -1.26 -0.28 118.68 125.79 1xqq s LEU 43 Ca 0.04 -0.99 0.00 0.00 0.69 0.00 0.00 54.13 53.87 1xqq s LEU 43 Cb -0.20 -2.11 -0.02 0.00 -0.43 0.00 0.00 46.19 43.43 1xqq s LEU 43 CO -0.07 -0.45 -0.10 -0.63 -0.29 0.00 0.00 176.35 174.82 1xqq s ILE 44 N 1.62 3.41 -0.19 6.68 -1.09 0.54 -1.50 121.20 130.67 1xqq s ILE 44 Ca 0.04 -0.57 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1xqq s ILE 44 Cb -0.20 -2.41 0.04 0.00 -1.58 0.00 0.00 42.46 38.32 1xqq s ILE 44 CO 0.08 0.56 -0.11 0.12 -1.23 0.00 0.00 174.94 174.36 1xqq s PHE 45 N -0.28 2.42 0.00 3.97 5.36 0.02 -0.41 117.98 129.06 1xqq s PHE 45 Ca 0.03 -1.57 0.00 0.00 -0.96 0.00 0.00 56.93 54.43 1xqq s PHE 45 Cb -0.13 -1.65 0.00 0.00 -0.34 0.00 0.00 43.02 40.90 1xqq s PHE 45 CO 0.03 -0.74 0.00 0.00 -1.46 0.00 0.00 175.22 173.05 1xqq n ALA 46 N 4.69 0.00 -2.58 11.12 0.00 -1.26 -2.42 120.51 130.05 1xqq n ALA 46 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 1xqq n ALA 46 Cb 0.47 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.96 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 3.21 3.13 0.00 0.00 -1.26 -4.97 105.19 105.31 1xqq n GLY 47 Ca 0.00 -1.58 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.70 0.29 0.64 1.61 2.20 -1.02 -5.17 119.74 114.60 1xqq s LYS 48 Ca 0.34 0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 56.25 1xqq s LYS 48 Cb 0.36 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.74 1xqq s LYS 48 CO -0.02 -0.07 1.05 -1.14 -0.36 0.00 0.00 175.35 174.81 1xqq s GLN 49 N 0.43 3.25 0.07 4.03 0.74 -1.26 -0.80 119.66 126.12 1xqq s GLN 49 Ca -0.02 0.95 -0.05 0.00 0.05 0.00 0.00 55.36 56.29 1xqq s GLN 49 Cb -0.04 -2.03 -0.05 0.00 1.10 0.00 0.00 33.01 31.99 1xqq s GLN 49 CO -0.02 -0.85 0.30 -0.51 -0.55 0.00 0.00 175.29 173.66 1xqq s LEU 50 N -5.13 4.33 0.47 3.68 1.43 -0.56 -4.75 118.68 118.15 1xqq s LEU 50 Ca 0.58 0.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.25 1xqq s LEU 50 Cb -0.13 -2.96 0.01 0.00 0.03 0.00 0.00 46.19 43.15 1xqq s LEU 50 CO 0.49 0.17 0.67 -1.61 0.23 0.00 0.00 176.35 176.30 1xqq s GLU 51 N -2.20 2.81 -0.11 1.70 2.02 -1.26 -4.78 118.70 116.88 1xqq s GLU 51 Ca 0.34 -0.82 -0.22 0.00 0.02 0.00 0.00 54.97 54.29 1xqq s GLU 51 Cb -0.13 -2.60 -0.27 0.00 0.10 0.00 0.00 34.13 31.23 1xqq s GLU 51 CO 0.21 -0.42 0.68 -0.44 0.02 0.00 0.00 175.26 175.31 1xqq h ASP 52 N 0.37 0.28 -0.64 -0.19 3.32 -2.00 -3.33 116.42 114.23 1xqq h ASP 52 Ca -0.43 -0.88 -0.28 0.00 0.02 0.00 0.00 57.03 55.46 1xqq h ASP 52 Cb 1.28 -0.09 -0.17 0.00 0.22 0.00 0.00 39.33 40.57 1xqq h ASP 52 CO 0.52 1.39 0.36 0.61 -1.72 0.00 0.00 179.24 180.39 1xqq n GLY 53 N 1.65 3.48 3.86 2.75 0.00 -1.26 -2.20 105.19 113.48 1xqq n GLY 53 Ca -0.19 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.33 2.66 0.53 1.61 0.52 -1.25 -4.97 118.95 115.72 1xqq s ARG 54 Ca 0.40 -1.37 0.08 0.00 -0.52 0.00 0.00 55.73 54.32 1xqq s ARG 54 Cb 0.33 -2.44 0.05 0.00 0.52 0.00 0.00 34.95 33.41 1xqq s ARG 54 CO 0.09 0.00 0.60 0.95 0.02 0.00 0.00 175.30 176.95 1xqq s THR 55 N -2.36 2.11 0.13 0.02 -4.23 -1.26 -1.47 115.64 108.58 1xqq s THR 55 Ca 0.43 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.62 1xqq s THR 55 Cb -0.05 -2.31 -0.07 0.00 1.34 0.00 0.00 72.50 71.41 1xqq s THR 55 CO 0.27 0.00 1.44 -0.07 -0.54 0.00 0.00 174.62 175.72 1xqq h LEU 56 N 0.51 0.95 0.00 4.79 3.38 -1.51 -3.11 115.31 120.32 1xqq h LEU 56 Ca -0.34 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1xqq h LEU 56 Cb 1.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1xqq h LEU 56 CO 0.49 1.26 0.00 -1.54 0.09 0.00 0.00 178.44 178.73 1xqq n SER 57 N -4.08 0.00 -0.03 -0.43 3.41 -0.84 -0.78 113.62 110.87 1xqq n SER 57 Ca -0.03 0.23 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 1xqq n SER 57 Cb 0.56 -0.41 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1xqq n SER 57 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1xqq h ASP 58 N 0.00 -0.03 0.91 4.04 1.82 -1.85 -3.19 116.42 118.12 1xqq h ASP 58 Ca 0.00 -0.67 0.00 0.00 -0.39 0.00 0.00 57.03 55.97 1xqq h ASP 58 Cb 0.38 0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.40 1xqq h ASP 58 CO 0.00 0.70 -0.11 -1.22 -1.61 0.00 0.00 179.24 176.99 1xqq n TYR 59 N -4.76 0.04 -2.28 0.28 4.01 -1.08 -4.92 117.16 108.46 1xqq n TYR 59 Ca -0.09 0.01 -0.06 0.00 -0.16 0.00 0.00 57.90 57.60 1xqq n TYR 59 Cb 0.34 -0.47 0.03 0.00 -0.31 0.00 0.00 39.34 38.94 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 -1.54 -3.77 -4.60 7.72 3.02 -0.25 -5.01 115.26 110.83 1xqq n ASN 60 Ca 0.07 -0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 53.89 1xqq n ASN 60 Cb 0.34 -2.50 -0.02 0.00 -0.61 0.00 0.00 39.78 36.99 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 -3.16 4.30 0.56 2.41 1.01 0.04 -5.00 121.20 121.36 1xqq s ILE 61 Ca 0.17 1.27 0.06 0.00 0.00 0.00 0.00 60.65 62.16 1xqq s ILE 61 Cb -0.02 -4.54 0.07 0.00 0.01 0.00 0.00 42.46 37.97 1xqq s ILE 61 CO 0.31 -0.87 0.77 0.00 0.00 0.00 0.00 174.94 175.15 1xqq s GLN 62 N 4.19 2.35 0.45 2.79 -2.07 -1.26 -4.60 119.66 121.52 1xqq s GLN 62 Ca 0.46 -1.32 -0.25 0.00 -1.82 0.00 0.00 55.36 52.43 1xqq s GLN 62 Cb -0.09 -2.59 -0.08 0.00 -1.09 0.00 0.00 33.01 29.16 1xqq s GLN 62 CO 0.28 -0.80 1.37 0.36 -1.32 0.00 0.00 175.29 175.18 1xqq n LYS 63 N -2.27 2.09 -1.60 9.60 2.85 -1.26 -2.62 118.16 124.95 1xqq n LYS 63 Ca 0.13 0.75 -0.20 0.00 -1.05 0.00 0.00 58.31 57.93 1xqq n LYS 63 Cb 0.60 -2.54 -0.08 0.00 -0.65 0.00 0.00 35.03 32.36 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 -0.20 -1.39 -2.40 -1.58 4.71 0.37 -5.01 120.64 115.14 1xqq n GLU 64 Ca 0.06 1.20 -0.36 0.00 -0.01 0.00 0.00 57.16 58.05 1xqq n GLU 64 Cb 0.41 -5.55 -0.02 0.00 -1.01 0.00 0.00 31.44 25.27 1xqq n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1xqq s SER 65 N -2.78 6.34 -0.19 1.62 0.01 -1.08 -4.79 113.70 112.83 1xqq s SER 65 Ca 0.00 2.14 -0.15 0.00 1.31 0.00 0.00 55.95 59.25 1xqq s SER 65 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.00 -0.79 0.36 -0.89 0.41 0.00 0.00 173.24 172.33 1xqq s THR 66 N -1.68 5.24 0.10 1.44 2.01 -1.26 -0.56 115.64 120.93 1xqq s THR 66 Ca 0.63 0.64 0.01 0.00 0.31 0.00 0.00 61.69 63.29 1xqq s THR 66 Cb -0.24 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1xqq s THR 66 CO 0.29 0.29 0.23 -0.76 -0.69 0.00 0.00 174.62 173.98 1xqq s LEU 67 N 1.07 4.29 -0.18 4.42 1.02 -0.26 -4.83 118.68 124.20 1xqq s LEU 67 Ca 0.18 0.19 -0.06 0.00 0.02 0.00 0.00 54.13 54.46 1xqq s LEU 67 Cb -0.14 -2.89 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 1xqq s LEU 67 CO 0.07 0.12 0.03 -1.00 0.02 0.00 0.00 176.35 175.59 1xqq s HIS 68 N -1.61 3.15 -0.15 0.29 3.76 0.46 -0.26 115.29 120.92 1xqq s HIS 68 Ca 0.34 -0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 55.01 1xqq s HIS 68 Cb -0.12 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 1xqq s HIS 68 CO 0.28 0.02 0.26 -1.17 -0.85 0.00 0.00 174.74 173.27 1xqq s LEU 69 N 0.55 4.27 -0.17 0.89 2.96 0.14 -0.34 118.68 126.98 1xqq s LEU 69 Ca 0.01 0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1xqq s LEU 69 Cb -0.13 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1xqq s LEU 69 CO 0.02 0.16 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.50 1xqq s VAL 70 N 0.21 4.09 -0.11 1.68 1.01 0.62 -4.13 120.40 123.76 1xqq s VAL 70 Ca 0.15 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 1xqq s VAL 70 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1xqq s VAL 70 CO 0.03 0.48 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 1xqq s LEU 71 N 0.43 3.83 0.45 3.92 1.43 -1.26 -1.20 118.68 126.28 1xqq s LEU 71 Ca -0.02 0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 1xqq s LEU 71 Cb -0.14 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 1xqq s LEU 71 CO 0.02 0.35 0.01 0.00 0.23 0.00 0.00 176.35 176.96 1xqq s ARG 72 N -0.67 2.05 0.10 1.70 1.70 -1.23 -5.02 118.95 117.58 1xqq s ARG 72 Ca 0.11 -2.24 -0.31 0.00 -0.47 0.00 0.00 55.73 52.83 1xqq s ARG 72 Cb -0.12 -1.50 -0.08 0.00 -0.57 0.00 0.00 34.95 32.69 1xqq s ARG 72 CO 0.02 -0.22 1.41 -0.51 -1.08 0.00 0.00 175.30 174.92 1xqq s LEU 73 N -3.77 4.36 0.66 -1.89 1.43 -1.26 -4.98 118.68 113.23 1xqq s LEU 73 Ca 0.21 2.31 -0.11 0.00 -1.03 0.00 0.00 54.13 55.51 1xqq s LEU 73 Cb 0.06 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1xqq s LEU 73 CO 0.11 -0.68 1.05 -0.13 0.23 0.00 0.00 176.35 176.93 1xqq s ARG 74 N 1.39 3.16 0.00 1.70 0.52 -1.26 -4.91 118.95 119.55 1xqq s ARG 74 Ca 0.65 0.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.40 1xqq s ARG 74 Cb -0.36 -2.07 0.00 0.00 0.52 0.00 0.00 34.95 33.04 1xqq s ARG 74 CO 0.30 -0.82 0.00 0.41 0.02 0.00 0.00 175.30 175.21 1xqq n GLY 75 N -2.87 -2.87 1.22 -3.53 0.00 -1.26 -5.18 105.19 90.70 1xqq n GLY 75 Ca 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93