#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 4.29 0.13 3.17 -0.21 -1.26 -1.75 119.66 124.03 1xqq s GLN 2 Ca 0.00 0.26 0.11 0.00 0.02 0.00 0.00 55.36 55.74 1xqq s GLN 2 Cb 0.00 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.54 1xqq s GLN 2 CO 0.00 0.21 -0.26 0.96 -2.12 0.00 0.00 175.29 174.08 1xqq s ILE 3 N 0.51 2.23 -0.06 1.08 -4.36 0.40 -0.18 121.20 120.81 1xqq s ILE 3 Ca 0.21 -1.76 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1xqq s ILE 3 Cb -0.14 -1.98 -0.04 0.00 1.25 0.00 0.00 42.46 41.56 1xqq s ILE 3 CO 0.07 0.07 0.03 -0.36 0.24 0.00 0.00 174.94 174.99 1xqq s PHE 4 N -1.10 3.21 -0.09 1.37 0.08 -0.49 -0.63 117.98 120.32 1xqq s PHE 4 Ca 0.14 0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.42 1xqq s PHE 4 Cb -0.10 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1xqq s PHE 4 CO 0.06 0.51 -0.17 0.08 -0.10 0.00 0.00 175.22 175.59 1xqq s VAL 5 N -0.99 1.58 -0.36 -0.44 1.01 0.62 -0.78 120.40 121.05 1xqq s VAL 5 Ca 0.16 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1xqq s VAL 5 Cb -0.12 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1xqq s VAL 5 CO 0.06 0.46 0.18 -0.54 0.00 0.00 0.00 175.10 175.25 1xqq s LYS 6 N 0.65 2.84 0.89 2.72 1.02 -0.56 -0.75 119.74 126.55 1xqq s LYS 6 Ca -0.14 -1.06 -0.12 0.00 0.02 0.00 0.00 55.97 54.68 1xqq s LYS 6 Cb -0.16 -3.65 0.12 0.00 -0.52 0.00 0.00 37.83 33.63 1xqq s LYS 6 CO 0.04 -0.65 1.10 0.95 -0.92 0.00 0.00 175.35 175.87 1xqq s THR 7 N 1.53 2.53 0.06 2.17 -4.23 -0.78 -1.58 115.64 115.34 1xqq s THR 7 Ca 0.02 0.17 -0.15 0.00 -1.18 0.00 0.00 61.69 60.55 1xqq s THR 7 Cb -0.19 -2.79 -0.22 0.00 1.34 0.00 0.00 72.50 70.64 1xqq s THR 7 CO 0.06 -0.23 1.19 0.25 -0.54 0.00 0.00 174.62 175.35 1xqq h LEU 8 N -1.47 0.84 0.52 4.79 5.85 -1.91 -3.13 115.31 120.80 1xqq h LEU 8 Ca -0.50 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 57.48 1xqq h LEU 8 Cb 1.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 1xqq h LEU 8 CO 0.58 1.44 -0.40 0.71 -0.34 0.00 0.00 178.44 180.43 1xqq h THR 9 N 0.31 0.18 0.00 1.05 1.35 -1.94 -3.48 112.91 110.39 1xqq h THR 9 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1xqq h THR 9 Cb 1.56 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1xqq h THR 9 CO 0.18 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.06 1xqq n GLY 10 N -1.52 -0.23 3.04 5.82 0.00 -1.18 -5.15 105.19 105.97 1xqq n GLY 10 Ca -0.12 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 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 1.85 -0.83 1.61 2.20 -1.26 -4.93 119.74 118.38 1xqq s LYS 11 Ca 0.00 -0.46 -0.25 0.00 -0.36 0.00 0.00 55.97 54.90 1xqq s LYS 11 Cb 0.00 -1.50 0.05 0.00 -1.51 0.00 0.00 37.83 34.86 1xqq s LYS 11 CO 0.00 0.04 1.29 0.99 -0.36 0.00 0.00 175.35 177.31 1xqq s THR 12 N 0.63 3.91 0.06 3.43 2.01 -1.26 -1.87 115.64 122.55 1xqq s THR 12 Ca -0.15 -0.16 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 1xqq s THR 12 Cb -0.16 -4.93 -0.06 0.00 0.01 0.00 0.00 72.50 67.36 1xqq s THR 12 CO 0.04 -1.82 0.45 0.27 -0.69 0.00 0.00 174.62 172.88 1xqq s ILE 13 N 5.14 4.97 -0.18 1.82 -4.36 0.08 -4.85 121.20 123.83 1xqq s ILE 13 Ca 0.37 0.79 -0.14 0.00 -0.26 0.00 0.00 60.65 61.41 1xqq s ILE 13 Cb -0.06 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.88 1xqq s ILE 13 CO 0.05 0.44 0.31 -0.89 0.24 0.00 0.00 174.94 175.09 1xqq s THR 14 N -1.24 5.29 -0.06 8.37 2.01 -1.26 -0.28 115.64 128.47 1xqq s THR 14 Ca 0.29 0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.89 1xqq s THR 14 Cb -0.16 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1xqq s THR 14 CO 0.16 0.35 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.49 1xqq s LEU 15 N 0.71 1.93 -0.38 4.42 1.43 0.20 -4.97 118.68 122.02 1xqq s LEU 15 Ca 0.16 -0.42 -0.26 0.00 -1.03 0.00 0.00 54.13 52.59 1xqq s LEU 15 Cb -0.13 -1.11 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1xqq s LEU 15 CO 0.05 0.15 0.92 -1.61 0.23 0.00 0.00 176.35 176.08 1xqq s GLU 16 N 0.19 3.78 0.09 1.70 2.02 -1.26 -0.45 118.70 124.77 1xqq s GLU 16 Ca -0.09 0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.42 1xqq s GLU 16 Cb -0.14 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1xqq s GLU 16 CO 0.04 -0.99 -0.09 0.14 0.02 0.00 0.00 175.26 174.38 1xqq s VAL 17 N 3.51 0.86 0.16 2.63 -7.23 -0.72 -4.90 120.40 114.70 1xqq s VAL 17 Ca 0.38 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 1xqq s VAL 17 Cb -0.12 -1.35 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 1xqq s VAL 17 CO 0.20 -0.60 0.58 -1.61 -0.31 0.00 0.00 175.10 173.36 1xqq s GLU 18 N -2.87 4.03 0.00 4.82 0.41 -1.26 0.78 118.70 124.61 1xqq s GLU 18 Ca 0.05 0.57 0.15 0.00 -0.41 0.00 0.00 54.97 55.33 1xqq s GLU 18 Cb -0.02 -2.93 0.92 0.00 -1.78 0.00 0.00 34.13 30.32 1xqq s GLU 18 CO -0.01 0.47 1.53 -0.35 -0.49 0.00 0.00 175.26 176.41 1xqq n PRO 19 N 0.83 0.91 0.00 0.39 -0.04 -1.26 -3.09 135.00 132.74 1xqq n PRO 19 Ca -0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1xqq n PRO 19 Cb 0.52 -1.27 0.20 0.00 -0.04 0.00 0.00 33.50 32.91 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -0.77 0.62 -4.81 3.54 7.64 -1.26 -0.62 113.62 117.97 1xqq n SER 20 Ca 0.12 -0.41 -0.29 0.00 1.01 0.00 0.00 58.87 59.30 1xqq n SER 20 Cb 0.05 0.35 0.10 0.00 -1.01 0.00 0.00 64.21 63.70 1xqq n SER 20 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1xqq s ASP 21 N -2.96 4.34 0.59 6.43 1.01 -1.18 -4.73 116.67 120.17 1xqq s ASP 21 Ca 0.12 0.70 -0.11 0.00 0.71 0.00 0.00 52.55 53.97 1xqq s ASP 21 Cb 0.17 -1.14 -0.05 0.00 1.01 0.00 0.00 42.92 42.91 1xqq s ASP 21 CO 0.71 -2.00 1.00 0.42 0.21 0.00 0.00 175.17 175.50 1xqq s THR 22 N -3.61 4.70 -0.10 -1.27 -4.23 -1.26 -1.08 115.64 108.79 1xqq s THR 22 Ca 0.63 0.87 0.29 0.00 -1.18 0.00 0.00 61.69 62.30 1xqq s THR 22 Cb -0.10 -3.84 0.31 0.00 1.34 0.00 0.00 72.50 70.21 1xqq s THR 22 CO 0.49 -1.04 1.88 0.40 -0.54 0.00 0.00 174.62 175.81 1xqq h ILE 23 N -0.05 0.00 -0.86 2.99 1.08 -1.20 -2.78 117.51 116.69 1xqq h ILE 23 Ca -0.45 -0.25 0.12 0.00 -0.39 0.00 0.00 64.86 63.89 1xqq h ILE 23 Cb 1.19 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.93 1xqq h ILE 23 CO 0.62 0.00 0.56 -0.33 -0.69 0.00 0.00 178.15 178.31 1xqq h GLU 24 N 0.00 0.73 -0.45 2.37 5.08 -1.86 -0.24 114.58 120.22 1xqq h GLU 24 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.22 1xqq h GLU 24 Cb 0.30 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1xqq h GLU 24 CO 0.00 0.49 -0.11 -0.97 -1.00 0.00 0.00 179.01 177.41 1xqq h ASN 25 N 0.76 0.88 -0.58 1.42 -0.73 -1.86 -1.09 115.58 114.38 1xqq h ASN 25 Ca 0.41 -0.36 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1xqq h ASN 25 Cb 0.55 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 1xqq h ASN 25 CO -0.18 1.04 0.32 0.58 -0.37 0.00 0.00 177.43 178.83 1xqq h VAL 26 N 0.71 1.18 -0.75 2.57 2.07 -1.33 0.92 116.25 121.62 1xqq h VAL 26 Ca 0.11 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1xqq h VAL 26 Cb 0.66 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1xqq h VAL 26 CO 0.05 0.20 0.31 0.11 0.02 0.00 0.00 177.57 178.25 1xqq h LYS 27 N 0.78 1.10 -0.38 1.57 1.57 -1.05 -0.73 116.57 119.43 1xqq h LYS 27 Ca 0.20 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1xqq h LYS 27 Cb 0.03 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1xqq h LYS 27 CO -0.03 0.88 0.03 0.00 -0.57 0.00 0.00 179.45 179.76 1xqq h ALA 28 N 1.26 0.50 -0.68 3.86 0.00 -0.57 0.40 119.26 124.03 1xqq h ALA 28 Ca 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xqq h ALA 28 Cb 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xqq h ALA 28 CO -0.02 0.25 0.34 0.87 0.00 0.00 0.00 179.25 180.69 1xqq h LYS 29 N 0.48 0.96 -0.04 0.00 1.79 -0.80 -0.70 116.57 118.25 1xqq h LYS 29 Ca 0.11 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1xqq h LYS 29 Cb 0.42 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1xqq h LYS 29 CO 0.01 0.73 -0.66 0.82 -1.08 0.00 0.00 179.45 179.27 1xqq h ILE 30 N 0.96 1.42 -0.20 1.86 2.04 -0.57 -2.34 117.51 120.67 1xqq h ILE 30 Ca 0.24 -2.14 0.01 0.00 1.00 0.00 0.00 64.86 63.98 1xqq h ILE 30 Cb 0.07 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1xqq h ILE 30 CO -0.03 0.62 0.09 -0.61 0.00 0.00 0.00 178.15 178.23 1xqq h GLN 31 N 0.13 0.20 -0.86 2.37 4.15 -0.00 -0.47 115.11 120.62 1xqq h GLN 31 Ca -0.01 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1xqq h GLN 31 Cb 1.18 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 1xqq h GLN 31 CO 0.10 0.13 0.48 0.22 -1.93 0.00 0.00 178.83 177.83 1xqq h ASP 32 N 0.21 1.07 0.11 -0.69 3.58 -1.14 -0.71 116.42 118.85 1xqq h ASP 32 Ca 0.08 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1xqq h ASP 32 Cb 0.03 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.80 1xqq h ASP 32 CO -0.06 0.86 -0.05 0.50 -2.88 0.00 0.00 179.24 177.60 1xqq h LYS 33 N 1.21 -0.14 0.00 0.28 3.64 -1.33 -3.44 116.57 116.79 1xqq h LYS 33 Ca 0.30 0.01 -0.30 0.00 -1.27 0.00 0.00 60.65 59.40 1xqq h LYS 33 Cb 0.02 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1xqq h LYS 33 CO -0.05 0.30 -2.12 0.39 -2.27 0.00 0.00 179.45 175.70 1xqq n GLU 34 N -4.84 0.70 0.00 1.90 -0.58 -0.20 -5.01 120.64 112.62 1xqq n GLU 34 Ca -0.06 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1xqq n GLU 34 Cb 0.25 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.72 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 2.44 1.14 3.63 0.62 0.00 -0.27 -5.04 105.19 107.71 1xqq n GLY 35 Ca -0.33 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1xqq n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xqq s ILE 36 N -2.00 4.13 0.59 -0.61 2.07 -1.26 -5.00 121.20 119.13 1xqq s ILE 36 Ca 0.00 1.28 -0.11 0.00 -1.41 0.00 0.00 60.65 60.41 1xqq s ILE 36 Cb 0.00 -4.12 -0.04 0.00 0.13 0.00 0.00 42.46 38.42 1xqq s ILE 36 CO 0.00 -0.44 1.00 -2.16 -1.91 0.00 0.00 174.94 171.43 1xqq s PRO 37 N 4.14 3.64 0.60 3.50 0.04 -1.26 -3.88 135.00 141.78 1xqq s PRO 37 Ca 0.57 0.73 0.35 0.00 0.04 0.00 0.00 61.00 62.69 1xqq s PRO 37 Cb -0.17 -2.11 1.94 0.00 0.04 0.00 0.00 34.50 34.19 1xqq s PRO 37 CO 0.23 -0.50 2.24 -1.35 0.04 0.00 0.00 177.00 177.65 1xqq h PRO 38 N -0.11 0.00 -0.40 0.56 0.11 -1.94 -2.38 132.00 127.84 1xqq h PRO 38 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1xqq h PRO 38 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xqq h PRO 38 CO 0.62 0.03 -0.08 0.22 -0.21 0.00 0.00 178.00 178.57 1xqq h ASP 39 N 0.00 0.67 0.66 -2.05 3.58 -2.00 -2.93 116.42 114.35 1xqq h ASP 39 Ca -0.00 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.27 1xqq h ASP 39 Cb 0.13 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1xqq h ASP 39 CO 0.00 0.80 -0.90 1.67 -2.88 0.00 0.00 179.24 177.93 1xqq n GLN 40 N -4.19 0.35 -2.61 0.28 7.27 -0.90 -4.80 117.38 112.78 1xqq n GLN 40 Ca 0.01 0.04 -0.42 0.00 0.07 0.00 0.00 57.00 56.71 1xqq n GLN 40 Cb 0.33 -1.66 -0.03 0.00 2.41 0.00 0.00 30.24 31.29 1xqq n GLN 40 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1xqq s GLN 41 N -3.22 4.55 -0.16 3.69 -0.21 -1.11 -4.34 119.66 118.86 1xqq s GLN 41 Ca 0.04 1.56 0.02 0.00 0.02 0.00 0.00 55.36 56.99 1xqq s GLN 41 Cb 0.13 -3.40 0.02 0.00 1.00 0.00 0.00 33.01 30.76 1xqq s GLN 41 CO 0.77 -0.06 -0.20 0.50 -2.12 0.00 0.00 175.29 174.18 1xqq s ARG 42 N 0.74 2.88 -0.35 2.91 3.52 -1.26 -4.99 118.95 122.41 1xqq s ARG 42 Ca 0.53 -0.80 -0.02 0.00 -0.13 0.00 0.00 55.73 55.31 1xqq s ARG 42 Cb -0.25 -2.42 0.08 0.00 -1.56 0.00 0.00 34.95 30.80 1xqq s ARG 42 CO 0.29 -0.12 0.09 -0.51 -0.81 0.00 0.00 175.30 174.24 1xqq s LEU 43 N 1.10 4.52 0.00 -0.88 1.43 -1.26 -2.15 118.68 121.43 1xqq s LEU 43 Ca -0.01 -1.62 -0.19 0.00 -1.03 0.00 0.00 54.13 51.29 1xqq s LEU 43 Cb -0.14 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 1xqq s LEU 43 CO -0.08 -0.38 0.53 -0.63 0.23 0.00 0.00 176.35 176.02 1xqq s ILE 44 N 1.20 4.93 -0.43 -0.59 -1.09 0.68 -0.83 121.20 125.06 1xqq s ILE 44 Ca 0.01 1.12 0.03 0.00 -2.23 0.00 0.00 60.65 59.58 1xqq s ILE 44 Cb -0.21 -3.86 0.12 0.00 -1.58 0.00 0.00 42.46 36.93 1xqq s ILE 44 CO -0.02 0.47 0.18 0.12 -1.23 0.00 0.00 174.94 174.45 1xqq s PHE 45 N -0.48 3.01 0.00 3.97 5.36 0.43 -0.83 117.98 129.44 1xqq s PHE 45 Ca 0.28 -2.86 0.00 0.00 -0.96 0.00 0.00 56.93 53.39 1xqq s PHE 45 Cb -0.18 -2.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.92 1xqq s PHE 45 CO 0.16 -0.83 0.00 0.00 -1.46 0.00 0.00 175.22 173.09 1xqq n ALA 46 N 3.70 0.00 -1.91 11.12 0.00 -1.26 -2.37 120.51 129.79 1xqq n ALA 46 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xqq n ALA 46 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.53 3.52 0.00 0.00 -1.26 -5.09 105.19 102.89 1xqq n GLY 47 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1xqq n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 48 N 0.00 1.77 -0.18 1.61 -2.85 -1.00 -5.14 119.74 113.95 1xqq s LYS 48 Ca 0.00 -1.90 0.01 0.00 -1.00 0.00 0.00 55.97 53.07 1xqq s LYS 48 Cb 0.00 -1.61 0.02 0.00 -2.06 0.00 0.00 37.83 34.17 1xqq s LYS 48 CO 0.00 0.13 -0.19 -1.14 0.10 0.00 0.00 175.35 174.26 1xqq s GLN 49 N -3.62 3.03 0.34 1.78 0.74 -1.26 -0.42 119.66 120.24 1xqq s GLN 49 Ca 0.32 -0.81 -0.20 0.00 0.05 0.00 0.00 55.36 54.71 1xqq s GLN 49 Cb 0.02 -2.59 -0.10 0.00 1.10 0.00 0.00 33.01 31.44 1xqq s GLN 49 CO 0.16 -0.19 0.85 -0.51 -0.55 0.00 0.00 175.29 175.05 1xqq s LEU 50 N 1.26 4.13 0.37 3.68 1.43 -0.01 -5.01 118.68 124.52 1xqq s LEU 50 Ca 0.04 1.56 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 1xqq s LEU 50 Cb -0.13 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 1xqq s LEU 50 CO -0.11 -0.19 0.21 -0.70 0.23 0.00 0.00 176.35 175.79 1xqq s GLU 51 N -2.68 2.40 -0.02 1.70 2.12 -1.26 -4.72 118.70 116.24 1xqq s GLU 51 Ca 0.54 -1.59 -0.04 0.00 0.36 0.00 0.00 54.97 54.24 1xqq s GLU 51 Cb -0.13 -2.19 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 1xqq s GLU 51 CO 0.18 0.00 0.35 -0.44 -0.54 0.00 0.00 175.26 174.81 1xqq h ASP 52 N 1.40 -0.11 0.00 -1.70 5.19 -1.96 -3.36 116.42 115.87 1xqq h ASP 52 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1xqq h ASP 52 Cb 1.25 0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.79 1xqq h ASP 52 CO 0.63 0.04 0.00 0.61 -3.12 0.00 0.00 179.24 177.40 1xqq n GLY 53 N 1.01 0.85 3.53 2.75 0.00 -1.26 -2.48 105.19 109.59 1xqq n GLY 53 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.14 1.93 0.22 1.61 1.81 -1.26 -5.00 118.95 117.12 1xqq s ARG 54 Ca 0.00 -1.36 -0.16 0.00 -1.72 0.00 0.00 55.73 52.49 1xqq s ARG 54 Cb 0.00 -2.07 -0.08 0.00 -0.45 0.00 0.00 34.95 32.36 1xqq s ARG 54 CO 0.00 0.42 0.65 0.95 -0.68 0.00 0.00 175.30 176.64 1xqq s THR 55 N -1.77 4.72 0.23 0.02 -4.23 -1.26 -2.55 115.64 110.79 1xqq s THR 55 Ca 0.24 0.99 -0.07 0.00 -1.18 0.00 0.00 61.69 61.68 1xqq s THR 55 Cb -0.08 -3.75 0.18 0.00 1.34 0.00 0.00 72.50 70.19 1xqq s THR 55 CO 0.14 0.11 1.79 -0.07 -0.54 0.00 0.00 174.62 176.05 1xqq h LEU 56 N 3.14 0.51 -1.11 4.79 3.38 -1.20 -3.02 115.31 121.80 1xqq h LEU 56 Ca -0.48 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1xqq h LEU 56 Cb 1.19 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1xqq h LEU 56 CO 0.66 0.30 -0.21 0.77 0.09 0.00 0.00 178.44 180.05 1xqq h SER 57 N 0.65 0.37 -0.20 -0.43 4.64 -1.12 -1.31 113.55 116.15 1xqq h SER 57 Ca 0.35 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 61.45 1xqq h SER 57 Cb 0.34 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1xqq h SER 57 CO -0.25 0.59 -0.25 -0.78 -0.87 0.00 0.00 176.83 175.27 1xqq h ASP 58 N 0.34 0.67 0.87 4.97 3.58 -1.82 -2.57 116.42 122.46 1xqq h ASP 58 Ca 0.06 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1xqq h ASP 58 Cb 0.56 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1xqq h ASP 58 CO 0.04 0.90 0.00 1.88 -2.88 0.00 0.00 179.24 179.18 1xqq h TYR 59 N 0.58 0.00 -4.74 0.28 0.05 -1.58 -3.47 116.97 108.09 1xqq h TYR 59 Ca 0.08 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.62 1xqq h TYR 59 Cb 0.73 0.00 0.13 0.00 1.01 0.00 0.00 36.73 38.60 1xqq h TYR 59 CO 0.03 0.00 -0.59 0.09 -1.05 0.00 0.00 178.16 176.65 1xqq n ASN 60 N -2.78 -2.61 -4.51 3.88 5.03 -0.97 -5.00 115.26 108.30 1xqq n ASN 60 Ca 0.01 -0.47 -0.42 0.00 0.87 0.00 0.00 54.58 54.56 1xqq n ASN 60 Cb 0.27 -3.96 -0.08 0.00 -1.02 0.00 0.00 39.78 34.98 1xqq n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1xqq s ILE 61 N -3.27 5.00 0.34 2.41 1.01 -0.51 -5.02 121.20 121.16 1xqq s ILE 61 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1xqq s ILE 61 Cb -0.01 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.39 1xqq s ILE 61 CO 0.55 -0.41 0.43 -1.58 0.00 0.00 0.00 174.94 173.93 1xqq s GLN 62 N 2.38 2.99 0.26 2.79 0.74 -1.26 -4.62 119.66 122.93 1xqq s GLN 62 Ca 0.16 -1.11 -0.30 0.00 0.05 0.00 0.00 55.36 54.16 1xqq s GLN 62 Cb -0.16 -2.72 -0.11 0.00 1.10 0.00 0.00 33.01 31.12 1xqq s GLN 62 CO 0.15 0.04 1.58 -1.59 -0.55 0.00 0.00 175.29 174.93 1xqq s LYS 63 N -4.14 4.16 -0.84 1.67 -2.85 -1.26 -2.76 119.74 113.72 1xqq s LYS 63 Ca 0.45 2.51 0.00 0.00 -1.00 0.00 0.00 55.97 57.93 1xqq s LYS 63 Cb -0.08 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.63 1xqq s LYS 63 CO 0.30 -0.61 0.00 0.39 0.10 0.00 0.00 175.35 175.53 1xqq n GLU 64 N 2.65 -0.66 -3.59 1.78 1.02 0.74 -5.02 120.64 117.56 1xqq n GLU 64 Ca 0.10 0.60 -0.34 0.00 -0.02 0.00 0.00 57.16 57.50 1xqq n GLU 64 Cb 0.38 -4.54 -0.05 0.00 -0.02 0.00 0.00 31.44 27.20 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 -2.74 6.61 -0.29 1.62 0.01 -1.11 -4.83 113.70 112.96 1xqq s SER 65 Ca 0.00 0.76 -0.09 0.00 1.31 0.00 0.00 55.95 57.92 1xqq s SER 65 Cb 0.00 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 1xqq s SER 65 CO 0.00 0.14 0.14 -0.89 0.41 0.00 0.00 173.24 173.04 1xqq s THR 66 N -1.47 4.60 -0.09 1.44 2.01 -1.26 -1.40 115.64 119.48 1xqq s THR 66 Ca 0.35 -0.32 -0.17 0.00 0.31 0.00 0.00 61.69 61.86 1xqq s THR 66 Cb -0.13 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 1xqq s THR 66 CO 0.19 0.14 0.45 -0.76 -0.69 0.00 0.00 174.62 173.96 1xqq s LEU 67 N 1.63 4.33 -0.07 4.42 1.02 0.04 -4.61 118.68 125.44 1xqq s LEU 67 Ca 0.05 0.84 -0.28 0.00 0.02 0.00 0.00 54.13 54.77 1xqq s LEU 67 Cb -0.17 -2.66 -0.02 0.00 0.02 0.00 0.00 46.19 43.37 1xqq s LEU 67 CO 0.06 0.09 0.91 -1.00 0.02 0.00 0.00 176.35 176.43 1xqq s HIS 68 N 0.17 3.57 -0.54 0.29 3.76 -0.01 -1.50 115.29 121.02 1xqq s HIS 68 Ca 0.25 1.52 -0.19 0.00 -0.15 0.00 0.00 55.06 56.49 1xqq s HIS 68 Cb -0.15 -3.06 0.08 0.00 1.11 0.00 0.00 32.58 30.55 1xqq s HIS 68 CO 0.11 -0.08 0.65 -1.17 -0.85 0.00 0.00 174.74 173.39 1xqq s LEU 69 N 1.41 5.20 0.00 0.89 2.96 -0.61 -0.23 118.68 128.29 1xqq s LEU 69 Ca 0.46 -1.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.22 1xqq s LEU 69 Cb -0.19 -2.37 0.10 0.00 0.50 0.00 0.00 46.19 44.23 1xqq s LEU 69 CO 0.21 -0.98 0.69 1.33 -1.32 0.00 0.00 176.35 176.28 1xqq n VAL 70 N 5.56 0.00 -2.58 1.68 0.24 -0.92 -3.64 118.33 118.68 1xqq n VAL 70 Ca -0.08 -1.21 -0.41 0.00 -2.04 0.00 0.00 64.34 60.60 1xqq n VAL 70 Cb 0.44 -0.93 -0.05 0.00 -1.47 0.00 0.00 33.84 31.83 1xqq n VAL 70 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1xqq s LEU 71 N 0.00 4.55 -0.19 1.34 2.96 -1.26 -4.10 118.68 121.98 1xqq s LEU 71 Ca 0.47 2.08 -0.17 0.00 -0.22 0.00 0.00 54.13 56.29 1xqq s LEU 71 Cb -0.03 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1xqq s LEU 71 CO 0.31 -0.09 0.46 -0.60 -1.32 0.00 0.00 176.35 175.11 1xqq s ARG 72 N -0.87 4.20 -0.16 1.98 3.52 -1.26 -4.87 118.95 121.49 1xqq s ARG 72 Ca 0.46 0.32 -0.06 0.00 -0.13 0.00 0.00 55.73 56.31 1xqq s ARG 72 Cb -0.29 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 1xqq s ARG 72 CO 0.36 -0.06 0.05 -0.51 -0.81 0.00 0.00 175.30 174.32 1xqq s LEU 73 N 1.37 3.76 0.22 -0.88 1.43 -1.26 -5.10 118.68 118.22 1xqq s LEU 73 Ca 0.22 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.12 1xqq s LEU 73 Cb -0.15 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.05 1xqq s LEU 73 CO 0.09 0.23 0.93 -0.13 0.23 0.00 0.00 176.35 177.69 1xqq s ARG 74 N 0.05 4.82 0.00 1.70 1.81 -1.26 -4.35 118.95 121.72 1xqq s ARG 74 Ca 0.05 1.45 0.00 0.00 -1.72 0.00 0.00 55.73 55.51 1xqq s ARG 74 Cb -0.12 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 1xqq s ARG 74 CO 0.01 0.49 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 1xqq n GLY 75 N 1.58 0.51 0.00 -3.53 0.00 -1.26 -5.35 105.19 97.14 1xqq n GLY 75 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93