#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 3.18 0.23 3.17 -0.21 -1.26 -1.71 119.66 123.06 1xqq s GLN 2 Ca 0.00 -0.49 0.05 0.00 0.02 0.00 0.00 55.36 54.94 1xqq s GLN 2 Cb 0.00 -2.92 -0.05 0.00 1.00 0.00 0.00 33.01 31.04 1xqq s GLN 2 CO 0.00 0.62 -0.06 0.96 -2.12 0.00 0.00 175.29 174.69 1xqq s ILE 3 N -1.35 1.37 -0.32 1.08 -4.36 -0.97 -0.34 121.20 116.32 1xqq s ILE 3 Ca 0.28 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1xqq s ILE 3 Cb -0.12 -2.26 0.09 0.00 1.25 0.00 0.00 42.46 41.41 1xqq s ILE 3 CO 0.20 -0.42 0.04 -0.36 0.24 0.00 0.00 174.94 174.64 1xqq s PHE 4 N -3.20 3.25 -0.22 1.37 0.08 0.74 -1.81 117.98 118.20 1xqq s PHE 4 Ca 0.26 -2.62 -0.17 0.00 0.12 0.00 0.00 56.93 54.52 1xqq s PHE 4 Cb 0.04 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1xqq s PHE 4 CO 0.08 -0.92 0.45 0.08 -0.10 0.00 0.00 175.22 174.81 1xqq s VAL 5 N 1.08 5.15 0.14 -0.44 1.01 -0.73 0.55 120.40 127.16 1xqq s VAL 5 Ca 0.08 0.78 0.09 0.00 0.00 0.00 0.00 61.98 62.92 1xqq s VAL 5 Cb -0.19 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1xqq s VAL 5 CO -0.11 0.19 -0.20 -0.54 0.00 0.00 0.00 175.10 174.44 1xqq s LYS 6 N 1.68 1.24 0.70 2.72 1.02 0.07 0.45 119.74 127.61 1xqq s LYS 6 Ca 0.20 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 54.83 1xqq s LYS 6 Cb -0.15 -1.43 0.15 0.00 -0.52 0.00 0.00 37.83 35.88 1xqq s LYS 6 CO 0.09 0.31 0.95 0.25 -0.92 0.00 0.00 175.35 176.03 1xqq n THR 7 N 0.64 0.00 -0.17 2.17 -2.24 0.78 -0.40 114.28 115.06 1xqq n THR 7 Ca -0.16 -1.19 -0.11 0.00 -2.27 0.00 0.00 64.05 60.32 1xqq n THR 7 Cb 0.55 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 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 1.03 0.36 3.22 5.85 -1.89 -3.39 115.31 120.49 1xqq h LEU 8 Ca -0.31 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.01 1xqq h LEU 8 Cb 1.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1xqq h LEU 8 CO 0.29 1.18 -0.17 0.71 -0.34 0.00 0.00 178.44 180.10 1xqq h THR 9 N 0.88 0.47 0.00 1.05 1.35 -1.95 -3.46 112.91 111.25 1xqq h THR 9 Ca 0.12 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1xqq h THR 9 Cb 0.75 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1xqq h THR 9 CO 0.06 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1xqq n GLY 10 N -0.01 0.00 3.90 5.82 0.00 -1.26 -5.16 105.19 108.49 1xqq n GLY 10 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 3.40 -0.04 1.61 2.20 -1.26 -4.97 119.74 120.68 1xqq s LYS 11 Ca 0.00 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 1xqq s LYS 11 Cb 0.00 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.27 1xqq s LYS 11 CO 0.00 0.63 -0.18 0.99 -0.36 0.00 0.00 175.35 176.43 1xqq s THR 12 N -1.43 1.50 -0.25 3.43 2.01 -1.26 -0.15 115.64 119.49 1xqq s THR 12 Ca 0.32 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.58 1xqq s THR 12 Cb -0.13 -1.28 0.06 0.00 0.01 0.00 0.00 72.50 71.16 1xqq s THR 12 CO 0.24 0.43 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.87 1xqq s ILE 13 N -0.03 1.98 -0.26 1.82 1.01 0.17 -4.98 121.20 120.92 1xqq s ILE 13 Ca -0.03 -1.47 -0.29 0.00 0.00 0.00 0.00 60.65 58.86 1xqq s ILE 13 Cb -0.11 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.26 1xqq s ILE 13 CO 0.02 -0.01 1.07 -0.89 0.00 0.00 0.00 174.94 175.14 1xqq s THR 14 N 1.20 4.58 0.03 2.92 2.01 -1.26 -1.77 115.64 123.35 1xqq s THR 14 Ca -0.07 1.88 0.05 0.00 0.31 0.00 0.00 61.69 63.86 1xqq s THR 14 Cb -0.19 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 1xqq s THR 14 CO -0.06 -0.28 -0.10 -0.76 -0.69 0.00 0.00 174.62 172.73 1xqq s LEU 15 N 3.40 2.99 -0.58 4.42 1.43 -0.75 -4.97 118.68 124.61 1xqq s LEU 15 Ca 0.46 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.15 1xqq s LEU 15 Cb -0.15 -1.74 0.14 0.00 0.03 0.00 0.00 46.19 44.48 1xqq s LEU 15 CO 0.10 0.26 0.53 -1.61 0.23 0.00 0.00 176.35 175.87 1xqq s GLU 16 N -1.51 3.05 0.49 1.70 2.02 -1.26 -2.30 118.70 120.89 1xqq s GLU 16 Ca 0.17 -1.85 0.08 0.00 0.02 0.00 0.00 54.97 53.39 1xqq s GLU 16 Cb -0.11 -4.29 0.03 0.00 0.10 0.00 0.00 34.13 29.86 1xqq s GLU 16 CO 0.08 -1.31 0.54 0.14 0.02 0.00 0.00 175.26 174.72 1xqq s VAL 17 N 1.33 2.33 0.15 2.63 -7.23 -0.69 -4.90 120.40 114.02 1xqq s VAL 17 Ca 0.06 -1.22 0.11 0.00 -1.81 0.00 0.00 61.98 59.11 1xqq s VAL 17 Cb -0.26 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1xqq s VAL 17 CO 0.01 0.00 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.94 1xqq s GLU 18 N -4.36 1.40 0.27 4.82 0.41 -1.26 0.25 118.70 120.23 1xqq s GLU 18 Ca 0.50 -1.40 0.23 0.00 -0.41 0.00 0.00 54.97 53.89 1xqq s GLU 18 Cb -0.05 -1.77 1.01 0.00 -1.78 0.00 0.00 34.13 31.54 1xqq s GLU 18 CO 0.30 0.40 1.70 -0.35 -0.49 0.00 0.00 175.26 176.83 1xqq n PRO 19 N 0.64 0.19 -0.05 0.39 -0.04 -1.26 -1.60 135.00 133.27 1xqq n PRO 19 Ca -0.16 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1xqq n PRO 19 Cb 0.55 -1.89 0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.25 3.10 -4.78 3.54 3.41 -1.26 -1.62 113.62 113.77 1xqq n SER 20 Ca 0.02 -1.99 -0.33 0.00 -0.26 0.00 0.00 58.87 56.31 1xqq n SER 20 Cb 0.20 -0.07 0.04 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.87 5.26 0.55 4.04 1.01 -0.63 -4.92 116.67 120.12 1xqq s ASP 21 Ca 0.31 1.94 -0.07 0.00 0.71 0.00 0.00 52.55 55.44 1xqq s ASP 21 Cb 0.21 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 1xqq s ASP 21 CO 0.31 -1.52 0.88 0.42 0.21 0.00 0.00 175.17 175.46 1xqq s THR 22 N -2.40 4.42 0.54 -1.27 -4.23 -1.26 -2.52 115.64 108.91 1xqq s THR 22 Ca 0.66 0.27 0.23 0.00 -1.18 0.00 0.00 61.69 61.66 1xqq s THR 22 Cb -0.19 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.27 1xqq s THR 22 CO 0.41 -0.77 2.07 0.40 -0.54 0.00 0.00 174.62 176.19 1xqq h ILE 23 N -0.04 0.78 -0.28 2.99 1.08 -1.38 -2.72 117.51 117.94 1xqq h ILE 23 Ca -0.46 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1xqq h ILE 23 Cb 1.22 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.81 1xqq h ILE 23 CO 0.62 0.00 0.13 -0.08 -0.69 0.00 0.00 178.15 178.12 1xqq h GLU 24 N 0.00 0.41 -0.18 2.37 4.81 -1.77 -1.87 114.58 118.35 1xqq h GLU 24 Ca 0.13 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1xqq h GLU 24 Cb 0.55 -0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 1xqq h GLU 24 CO -0.00 0.41 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.57 1xqq h ASN 25 N 0.31 -0.66 -0.74 1.04 2.35 -1.81 -2.30 115.58 113.78 1xqq h ASN 25 Ca 0.10 0.12 0.15 0.00 -0.55 0.00 0.00 56.30 56.11 1xqq h ASN 25 Cb 0.14 0.31 -0.14 0.00 0.05 0.00 0.00 38.32 38.68 1xqq h ASN 25 CO -0.01 -0.25 -0.20 0.58 -1.65 0.00 0.00 177.43 175.90 1xqq h VAL 26 N -0.24 0.25 -0.62 2.81 2.07 -1.34 -1.22 116.25 117.96 1xqq h VAL 26 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1xqq h VAL 26 Cb 0.41 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1xqq h VAL 26 CO -0.32 0.00 0.40 0.11 0.02 0.00 0.00 177.57 177.78 1xqq h LYS 27 N -0.01 0.82 -0.91 1.57 1.57 -0.81 -2.24 116.57 116.55 1xqq h LYS 27 Ca 0.35 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1xqq h LYS 27 Cb 0.54 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1xqq h LYS 27 CO -0.76 0.55 0.60 0.00 -0.57 0.00 0.00 179.45 179.27 1xqq h ALA 28 N 1.60 1.38 -0.76 3.86 0.00 -0.76 -0.84 119.26 123.74 1xqq h ALA 28 Ca 0.23 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1xqq h ALA 28 Cb -0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.33 1xqq h ALA 28 CO -0.05 0.56 0.25 0.87 0.00 0.00 0.00 179.25 180.88 1xqq h LYS 29 N 1.20 1.17 -0.48 0.00 1.57 -0.79 -2.36 116.57 116.88 1xqq h LYS 29 Ca 0.34 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1xqq h LYS 29 Cb -0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1xqq h LYS 29 CO -0.09 0.99 0.32 0.82 -0.57 0.00 0.00 179.45 180.92 1xqq h ILE 30 N 1.13 1.13 -0.40 1.86 2.04 -1.55 -3.23 117.51 118.48 1xqq h ILE 30 Ca 0.25 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1xqq h ILE 30 Cb 0.30 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1xqq h ILE 30 CO -0.01 0.12 0.06 -0.61 0.00 0.00 0.00 178.15 177.71 1xqq h GLN 31 N 0.66 0.17 -0.45 2.37 4.15 -0.65 -0.33 115.11 121.04 1xqq h GLN 31 Ca 0.18 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.55 1xqq h GLN 31 Cb -0.07 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1xqq h GLN 31 CO -0.04 0.11 0.11 -0.44 -1.93 0.00 0.00 178.83 176.64 1xqq h ASP 32 N 0.18 0.62 0.06 -0.69 3.32 -1.47 -1.71 116.42 116.73 1xqq h ASP 32 Ca 0.20 -0.10 -0.24 0.00 0.02 0.00 0.00 57.03 56.91 1xqq h ASP 32 Cb 0.25 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1xqq h ASP 32 CO -0.28 0.62 -1.28 0.11 -1.72 0.00 0.00 179.24 176.69 1xqq h LYS 33 N 0.65 0.13 0.04 3.56 1.57 -1.50 -3.40 116.57 117.62 1xqq h LYS 33 Ca 0.15 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xqq h LYS 33 Cb 0.25 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xqq h LYS 33 CO -0.00 1.10 -0.02 0.93 -0.57 0.00 0.00 179.45 180.89 1xqq h GLU 34 N -0.60 -0.05 0.00 3.15 4.39 -1.19 -3.49 114.58 116.79 1xqq h GLU 34 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1xqq h GLU 34 Cb 1.54 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.20 1xqq h GLU 34 CO -0.05 0.38 0.00 0.41 -1.16 0.00 0.00 179.01 178.59 1xqq n GLY 35 N 1.49 0.77 3.07 -3.84 0.00 -0.64 -5.07 105.19 100.98 1xqq n GLY 35 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.49 1.49 0.82 -0.61 1.01 -1.25 -5.08 121.20 116.09 1xqq s ILE 36 Ca 0.00 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1xqq s ILE 36 Cb 0.00 -1.34 0.09 0.00 0.01 0.00 0.00 42.46 41.21 1xqq s ILE 36 CO 0.00 0.44 1.11 -2.84 0.00 0.00 0.00 174.94 173.64 1xqq s PRO 37 N 0.81 1.84 0.38 2.79 0.02 -1.26 -4.26 135.00 135.32 1xqq s PRO 37 Ca -0.10 1.25 0.17 0.00 0.02 0.00 0.00 61.00 62.34 1xqq s PRO 37 Cb -0.16 -1.84 0.74 0.00 0.02 0.00 0.00 34.50 33.26 1xqq s PRO 37 CO 0.01 -1.96 1.78 -1.35 -0.33 0.00 0.00 177.00 175.15 1xqq h PRO 38 N -1.37 0.00 0.08 5.54 0.11 -1.91 -2.94 132.00 131.52 1xqq h PRO 38 Ca -0.44 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 1xqq h PRO 38 Cb 1.24 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 1xqq h PRO 38 CO 0.49 0.38 -1.14 -0.44 -0.21 0.00 0.00 178.00 177.08 1xqq h ASP 39 N 0.00 0.65 -0.31 -2.05 3.32 -1.99 -3.28 116.42 112.75 1xqq h ASP 39 Ca -0.00 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1xqq h ASP 39 Cb 0.81 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1xqq h ASP 39 CO 0.05 1.41 0.21 -0.61 -1.72 0.00 0.00 179.24 178.58 1xqq h GLN 40 N 0.21 0.41 -5.84 3.56 5.75 -1.89 -3.43 115.11 113.87 1xqq h GLN 40 Ca -0.14 -0.02 -0.63 0.00 -0.15 0.00 0.00 58.65 57.71 1xqq h GLN 40 Cb 1.81 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 30.21 1xqq h GLN 40 CO 0.20 0.27 -0.45 1.14 -2.65 0.00 0.00 178.83 177.35 1xqq s GLN 41 N -5.39 3.50 0.17 1.69 -2.07 -1.17 -0.81 119.66 115.57 1xqq s GLN 41 Ca -0.07 -0.21 0.09 0.00 -1.82 0.00 0.00 55.36 53.35 1xqq s GLN 41 Cb 0.17 -3.09 -0.04 0.00 -1.09 0.00 0.00 33.01 28.96 1xqq s GLN 41 CO 0.72 0.66 -0.12 1.03 -1.32 0.00 0.00 175.29 176.26 1xqq s ARG 42 N -1.84 1.98 -0.14 9.60 0.52 0.17 -4.92 118.95 124.33 1xqq s ARG 42 Ca 0.27 -1.27 -0.02 0.00 -0.52 0.00 0.00 55.73 54.19 1xqq s ARG 42 Cb -0.13 -2.13 0.04 0.00 0.52 0.00 0.00 34.95 33.25 1xqq s ARG 42 CO 0.17 0.44 0.01 -1.17 0.02 0.00 0.00 175.30 174.77 1xqq s LEU 43 N -2.71 1.02 -0.19 2.53 2.96 -1.26 -1.21 118.68 119.81 1xqq s LEU 43 Ca 0.24 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.57 1xqq s LEU 43 Cb -0.09 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.97 1xqq s LEU 43 CO 0.14 -0.24 0.07 -0.63 -1.32 0.00 0.00 176.35 174.37 1xqq s ILE 44 N 1.86 4.78 -0.16 6.68 -1.09 -0.06 -2.95 121.20 130.26 1xqq s ILE 44 Ca 0.02 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1xqq s ILE 44 Cb -0.15 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 1xqq s ILE 44 CO -0.07 0.44 -0.05 0.12 -1.23 0.00 0.00 174.94 174.15 1xqq s PHE 45 N 0.54 2.99 0.00 3.97 5.36 -1.02 -0.07 117.98 129.76 1xqq s PHE 45 Ca 0.04 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.60 1xqq s PHE 45 Cb -0.13 -1.97 0.00 0.00 -0.34 0.00 0.00 43.02 40.58 1xqq s PHE 45 CO 0.01 -0.12 0.00 0.00 -1.46 0.00 0.00 175.22 173.65 1xqq n ALA 46 N 3.70 0.00 -2.05 11.12 0.00 -1.26 -0.80 120.51 131.22 1xqq n ALA 46 Ca -0.17 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.29 1xqq n ALA 46 Cb 0.52 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.09 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 3.51 3.12 0.00 0.00 -1.26 -5.03 105.19 105.53 1xqq n GLY 47 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.12 2.74 -0.50 1.61 2.20 0.02 -5.09 119.74 118.59 1xqq s LYS 48 Ca 0.37 -0.75 -0.28 0.00 -0.36 0.00 0.00 55.97 54.95 1xqq s LYS 48 Cb 0.38 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 34.44 1xqq s LYS 48 CO -0.10 -0.07 1.38 -0.65 -0.36 0.00 0.00 175.35 175.56 1xqq s GLN 49 N 0.97 3.45 0.12 4.03 -0.21 -1.26 -2.44 119.66 124.31 1xqq s GLN 49 Ca -0.05 0.63 -0.27 0.00 0.02 0.00 0.00 55.36 55.70 1xqq s GLN 49 Cb -0.15 -4.06 -0.07 0.00 1.00 0.00 0.00 33.01 29.73 1xqq s GLN 49 CO -0.04 -1.74 0.84 -0.51 -2.12 0.00 0.00 175.29 171.72 1xqq s LEU 50 N 5.65 4.52 0.35 2.90 1.43 -1.15 -5.05 118.68 127.33 1xqq s LEU 50 Ca 0.55 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 55.28 1xqq s LEU 50 Cb -0.11 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 1xqq s LEU 50 CO 0.29 0.06 0.58 -1.61 0.23 0.00 0.00 176.35 175.89 1xqq s GLU 51 N -0.46 3.51 0.07 1.70 2.02 -1.26 -4.73 118.70 119.56 1xqq s GLU 51 Ca 0.40 -0.22 -0.16 0.00 0.02 0.00 0.00 54.97 55.02 1xqq s GLU 51 Cb -0.23 -2.63 -0.16 0.00 0.10 0.00 0.00 34.13 31.21 1xqq s GLU 51 CO 0.27 0.12 1.27 -0.44 0.02 0.00 0.00 175.26 176.50 1xqq h ASP 52 N 0.85 0.76 -1.14 -0.19 3.32 -1.97 -3.27 116.42 114.79 1xqq h ASP 52 Ca -0.49 -0.62 -0.69 0.00 0.02 0.00 0.00 57.03 55.25 1xqq h ASP 52 Cb 1.21 -0.22 -0.29 0.00 0.22 0.00 0.00 39.33 40.24 1xqq h ASP 52 CO 0.62 1.26 0.84 0.61 -1.72 0.00 0.00 179.24 180.85 1xqq n GLY 53 N 0.66 5.85 3.42 2.75 0.00 -1.26 -2.57 105.19 114.04 1xqq n GLY 53 Ca -0.07 -2.35 -0.22 0.00 0.00 0.00 0.00 46.02 43.37 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 -3.86 1.54 0.65 1.61 1.81 -1.23 -5.05 118.95 114.43 1xqq s ARG 54 Ca 0.63 -1.69 -0.06 0.00 -1.72 0.00 0.00 55.73 52.88 1xqq s ARG 54 Cb 0.50 -1.54 0.04 0.00 -0.45 0.00 0.00 34.95 33.50 1xqq s ARG 54 CO -0.07 0.28 0.96 0.95 -0.68 0.00 0.00 175.30 176.75 1xqq s THR 55 N -2.63 2.84 0.30 0.02 -4.23 -1.26 -2.15 115.64 108.53 1xqq s THR 55 Ca 0.27 -0.17 0.20 0.00 -1.18 0.00 0.00 61.69 60.81 1xqq s THR 55 Cb -0.04 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.80 1xqq s THR 55 CO 0.12 -0.19 1.88 -0.07 -0.54 0.00 0.00 174.62 175.82 1xqq h LEU 56 N -0.41 0.00 0.03 4.79 3.38 -1.47 -3.04 115.31 118.58 1xqq h LEU 56 Ca -0.45 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.27 1xqq h LEU 56 Cb 1.29 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.06 1xqq h LEU 56 CO 0.60 0.28 -1.01 -1.28 0.09 0.00 0.00 178.44 177.12 1xqq h SER 57 N 0.00 0.84 -0.87 -0.43 0.87 -1.58 0.33 113.55 112.71 1xqq h SER 57 Ca -0.00 -0.76 0.20 0.00 -1.23 0.00 0.00 61.79 60.00 1xqq h SER 57 Cb 0.63 -0.26 -0.16 0.00 -0.44 0.00 0.00 62.40 62.17 1xqq h SER 57 CO 0.04 1.50 -0.06 0.44 -0.53 0.00 0.00 176.83 178.22 1xqq h ASP 58 N 0.28 -0.55 0.66 6.23 3.32 -1.84 -0.51 116.42 124.01 1xqq h ASP 58 Ca -0.13 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xqq h ASP 58 Cb 1.68 0.46 0.00 0.00 0.22 0.00 0.00 39.33 41.69 1xqq h ASP 58 CO 0.20 -0.27 0.00 -1.22 -1.72 0.00 0.00 179.24 176.23 1xqq n TYR 59 N -5.46 0.00 -3.90 4.55 4.01 -1.15 -4.97 117.16 110.24 1xqq n TYR 59 Ca 0.16 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.61 1xqq n TYR 59 Cb 0.55 -0.35 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 1xqq n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1xqq n ASN 60 N -1.35 -4.95 -4.65 7.72 5.15 -0.20 -4.97 115.26 112.01 1xqq n ASN 60 Ca 0.11 -0.76 -0.43 0.00 -0.60 0.00 0.00 54.58 52.91 1xqq n ASN 60 Cb 0.26 -3.97 -0.03 0.00 -0.53 0.00 0.00 39.78 35.51 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 -3.30 4.68 0.30 -1.44 1.01 0.11 -4.98 121.20 117.57 1xqq s ILE 61 Ca 0.66 1.80 -0.05 0.00 0.00 0.00 0.00 60.65 63.07 1xqq s ILE 61 Cb -0.33 -4.29 0.07 0.00 0.01 0.00 0.00 42.46 37.92 1xqq s ILE 61 CO 0.82 -0.24 0.41 0.00 0.00 0.00 0.00 174.94 175.93 1xqq n GLN 62 N 6.38 -0.32 -2.50 2.79 6.02 -1.26 -4.68 117.38 123.81 1xqq n GLN 62 Ca 0.10 -0.67 -0.37 0.00 -0.01 0.00 0.00 57.00 56.06 1xqq n GLN 62 Cb 0.47 -0.41 -0.04 0.00 1.02 0.00 0.00 30.24 31.28 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 -3.84 4.11 -1.29 -1.09 -2.85 -1.26 -3.53 119.74 109.98 1xqq s LYS 63 Ca 0.23 1.55 -0.00 0.00 -1.00 0.00 0.00 55.97 56.75 1xqq s LYS 63 Cb -0.01 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 33.24 1xqq s LYS 63 CO 0.16 -0.20 0.01 0.39 0.10 0.00 0.00 175.35 175.82 1xqq n GLU 64 N -0.13 -1.28 -2.55 1.78 1.02 0.54 -4.98 120.64 115.03 1xqq n GLU 64 Ca 0.05 0.73 -0.33 0.00 -0.02 0.00 0.00 57.16 57.60 1xqq n GLU 64 Cb 0.49 -5.08 -0.05 0.00 -0.02 0.00 0.00 31.44 26.79 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 -2.33 6.69 -0.23 1.62 0.01 -1.23 -4.84 113.70 113.39 1xqq s SER 65 Ca 0.01 1.65 -0.08 0.00 1.31 0.00 0.00 55.95 58.83 1xqq s SER 65 Cb -0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1xqq s SER 65 CO 0.01 -0.54 0.10 -0.89 0.41 0.00 0.00 173.24 172.33 1xqq s THR 66 N -2.41 4.77 0.30 1.44 2.01 -1.26 -0.19 115.64 120.31 1xqq s THR 66 Ca 0.61 -0.02 0.10 0.00 0.31 0.00 0.00 61.69 62.69 1xqq s THR 66 Cb -0.10 -3.21 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 1xqq s THR 66 CO 0.24 0.37 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.70 1xqq s LEU 67 N 1.13 2.87 -0.13 4.42 1.02 0.19 -4.65 118.68 123.53 1xqq s LEU 67 Ca 0.05 -0.95 0.03 0.00 0.02 0.00 0.00 54.13 53.28 1xqq s LEU 67 Cb -0.14 -1.31 0.00 0.00 0.02 0.00 0.00 46.19 44.76 1xqq s LEU 67 CO 0.04 -0.09 -0.21 -1.00 0.02 0.00 0.00 176.35 175.11 1xqq s HIS 68 N -2.48 2.65 -0.51 0.29 3.76 0.90 -0.75 115.29 119.16 1xqq s HIS 68 Ca 0.32 -1.17 -0.24 0.00 -0.15 0.00 0.00 55.06 53.82 1xqq s HIS 68 Cb -0.03 -1.79 0.04 0.00 1.11 0.00 0.00 32.58 31.91 1xqq s HIS 68 CO 0.18 -0.51 0.89 -1.17 -0.85 0.00 0.00 174.74 173.28 1xqq s LEU 69 N 0.62 4.14 -0.16 0.89 2.96 0.46 -0.88 118.68 126.71 1xqq s LEU 69 Ca -0.11 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1xqq s LEU 69 Cb -0.16 -2.94 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1xqq s LEU 69 CO 0.03 -1.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.08 1xqq s VAL 70 N 3.72 1.83 -0.10 1.68 1.01 -0.35 -4.25 120.40 123.94 1xqq s VAL 70 Ca 0.31 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1xqq s VAL 70 Cb -0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1xqq s VAL 70 CO 0.22 0.50 -0.01 -0.76 0.00 0.00 0.00 175.10 175.05 1xqq s LEU 71 N 1.25 3.51 0.00 3.92 1.02 -1.26 0.44 118.68 127.57 1xqq s LEU 71 Ca 0.02 0.09 0.00 0.00 0.02 0.00 0.00 54.13 54.26 1xqq s LEU 71 Cb -0.14 -1.81 0.00 0.00 0.02 0.00 0.00 46.19 44.27 1xqq s LEU 71 CO -0.09 0.34 0.08 0.54 0.02 0.00 0.00 176.35 177.24 1xqq n ARG 72 N 2.39 0.00 -0.04 1.70 1.74 0.01 -4.82 116.66 117.65 1xqq n ARG 72 Ca -0.18 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.89 1xqq n ARG 72 Cb 0.53 -0.47 -0.00 0.00 -1.02 0.00 0.00 32.46 31.50 1xqq n ARG 72 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1xqq h LEU 73 N 0.00 0.00 -9.98 0.55 5.85 -1.98 -3.47 115.31 106.28 1xqq h LEU 73 Ca 0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1xqq h LEU 73 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1xqq h LEU 73 CO 0.00 0.36 -0.18 -0.13 -0.34 0.00 0.00 178.44 178.15 1xqq s ARG 74 N -1.46 3.72 -0.57 1.25 0.52 -1.26 -5.01 118.95 116.14 1xqq s ARG 74 Ca -0.02 0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.37 1xqq s ARG 74 Cb 0.00 -2.71 0.32 0.00 0.52 0.00 0.00 34.95 33.08 1xqq s ARG 74 CO 0.03 0.35 0.88 0.41 0.02 0.00 0.00 175.30 176.99 1xqq n GLY 75 N -0.16 5.21 0.00 -3.53 0.00 -1.26 -4.83 105.19 100.62 1xqq n GLY 75 Ca -0.01 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.34 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93