#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 4.01 0.17 3.17 0.74 -1.26 -0.36 119.66 126.14 1xqq s GLN 2 Ca 0.00 0.32 0.04 0.00 0.05 0.00 0.00 55.36 55.77 1xqq s GLN 2 Cb 0.00 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 1xqq s GLN 2 CO 0.00 0.52 -0.06 0.96 -0.55 0.00 0.00 175.29 176.17 1xqq s ILE 3 N -0.50 1.04 0.00 -2.34 -4.36 -0.66 0.25 121.20 114.64 1xqq s ILE 3 Ca 0.22 -2.04 0.05 0.00 -0.26 0.00 0.00 60.65 58.62 1xqq s ILE 3 Cb -0.15 -2.02 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 1xqq s ILE 3 CO 0.10 -0.60 -0.13 -0.36 0.24 0.00 0.00 174.94 174.20 1xqq s PHE 4 N -3.41 2.72 -0.14 1.37 0.08 -0.18 -1.18 117.98 117.25 1xqq s PHE 4 Ca 0.21 -0.14 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 1xqq s PHE 4 Cb 0.04 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.97 1xqq s PHE 4 CO 0.03 0.28 -0.00 0.08 -0.10 0.00 0.00 175.22 175.51 1xqq s VAL 5 N -0.90 0.60 -0.18 -0.44 1.01 -0.48 -1.22 120.40 118.80 1xqq s VAL 5 Ca 0.15 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1xqq s VAL 5 Cb -0.11 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1xqq s VAL 5 CO 0.05 0.07 0.40 -1.59 0.00 0.00 0.00 175.10 174.03 1xqq s LYS 6 N 1.85 4.22 0.93 2.72 -2.85 0.31 -0.66 119.74 126.26 1xqq s LYS 6 Ca 0.02 0.24 -0.12 0.00 -1.00 0.00 0.00 55.97 55.11 1xqq s LYS 6 Cb -0.15 -3.50 0.15 0.00 -2.06 0.00 0.00 37.83 32.27 1xqq s LYS 6 CO -0.07 0.04 1.11 0.95 0.10 0.00 0.00 175.35 177.48 1xqq s THR 7 N 1.06 2.25 0.05 3.79 -4.23 0.58 -1.32 115.64 117.83 1xqq s THR 7 Ca 0.20 0.08 -0.21 0.00 -1.18 0.00 0.00 61.69 60.58 1xqq s THR 7 Cb -0.15 -2.71 -0.13 0.00 1.34 0.00 0.00 72.50 70.86 1xqq s THR 7 CO 0.08 -0.11 1.46 0.25 -0.54 0.00 0.00 174.62 175.76 1xqq h LEU 8 N -1.59 0.27 0.00 4.79 5.85 -1.82 -3.33 115.31 119.48 1xqq h LEU 8 Ca -0.51 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 57.87 1xqq h LEU 8 Cb 1.32 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.27 1xqq h LEU 8 CO 0.59 0.54 -0.00 0.71 -0.34 0.00 0.00 178.44 179.94 1xqq h THR 9 N -0.02 1.53 0.00 1.05 1.35 -1.94 -3.48 112.91 111.40 1xqq h THR 9 Ca 0.04 -1.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1xqq h THR 9 Cb 0.42 2.60 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1xqq h THR 9 CO 0.01 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.30 1xqq n GLY 10 N 0.74 0.00 2.87 5.82 0.00 -1.25 -5.14 105.19 108.23 1xqq n GLY 10 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 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 0.14 -0.53 1.61 2.20 -1.26 -5.00 119.74 116.90 1xqq s LYS 11 Ca 0.00 -0.01 -0.18 0.00 -0.36 0.00 0.00 55.97 55.42 1xqq s LYS 11 Cb 0.00 -0.20 0.08 0.00 -1.51 0.00 0.00 37.83 36.20 1xqq s LYS 11 CO 0.00 -0.02 0.60 0.99 -0.36 0.00 0.00 175.35 176.57 1xqq s THR 12 N 0.26 4.94 -0.25 3.43 2.01 -1.26 -0.31 115.64 124.47 1xqq s THR 12 Ca -0.02 -0.83 -0.23 0.00 0.31 0.00 0.00 61.69 60.92 1xqq s THR 12 Cb -0.04 -4.34 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 1xqq s THR 12 CO -0.01 -0.88 0.74 -0.63 -0.69 0.00 0.00 174.62 173.16 1xqq s ILE 13 N 2.40 4.90 -0.27 1.82 1.01 0.16 -4.92 121.20 126.30 1xqq s ILE 13 Ca 0.11 1.38 -0.12 0.00 0.00 0.00 0.00 60.65 62.03 1xqq s ILE 13 Cb -0.23 -4.04 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 1xqq s ILE 13 CO 0.08 -0.03 0.22 -0.89 0.00 0.00 0.00 174.94 174.32 1xqq s THR 14 N 2.69 5.29 0.37 2.92 2.01 -1.26 -1.38 115.64 126.27 1xqq s THR 14 Ca 0.31 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.61 1xqq s THR 14 Cb -0.15 -3.55 -0.07 0.00 0.01 0.00 0.00 72.50 68.73 1xqq s THR 14 CO 0.08 0.25 0.01 -0.76 -0.69 0.00 0.00 174.62 173.50 1xqq s LEU 15 N 1.73 2.63 -0.07 4.42 1.43 -0.32 -4.99 118.68 123.51 1xqq s LEU 15 Ca 0.08 -1.34 -0.01 0.00 -1.03 0.00 0.00 54.13 51.84 1xqq s LEU 15 Cb -0.16 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.35 1xqq s LEU 15 CO 0.10 -0.46 0.00 -1.61 0.23 0.00 0.00 176.35 174.62 1xqq s GLU 16 N -3.75 0.60 0.18 1.70 2.02 -1.26 -1.65 118.70 116.55 1xqq s GLU 16 Ca 0.35 0.11 -0.01 0.00 0.02 0.00 0.00 54.97 55.43 1xqq s GLU 16 Cb 0.08 -0.95 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 1xqq s GLU 16 CO 0.17 -0.29 0.11 0.14 0.02 0.00 0.00 175.26 175.40 1xqq s VAL 17 N 1.93 0.04 0.43 2.63 -7.23 0.52 -4.90 120.40 113.82 1xqq s VAL 17 Ca 0.04 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1xqq s VAL 17 Cb -0.12 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.42 1xqq s VAL 17 CO -0.05 -0.12 0.41 -1.61 -0.31 0.00 0.00 175.10 173.42 1xqq s GLU 18 N -4.13 2.54 0.00 4.82 2.02 -1.26 0.36 118.70 123.05 1xqq s GLU 18 Ca 0.35 -1.54 0.16 0.00 0.02 0.00 0.00 54.97 53.96 1xqq s GLU 18 Cb 0.07 -2.41 0.92 0.00 0.10 0.00 0.00 34.13 32.81 1xqq s GLU 18 CO 0.09 -0.25 1.60 -0.35 0.02 0.00 0.00 175.26 176.37 1xqq n PRO 19 N -1.62 1.08 0.04 0.39 -0.04 -1.26 -2.17 135.00 131.42 1xqq n PRO 19 Ca 0.04 -0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.49 1xqq n PRO 19 Cb 0.62 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 -0.62 0.59 -4.77 3.54 3.41 -1.26 -2.23 113.62 112.28 1xqq n SER 20 Ca 0.12 -0.10 -0.38 0.00 -0.26 0.00 0.00 58.87 58.25 1xqq n SER 20 Cb 0.09 0.85 -0.06 0.00 -0.26 0.00 0.00 64.21 64.83 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 -4.23 7.46 0.68 4.04 1.01 -0.92 -4.80 116.67 119.91 1xqq s ASP 21 Ca 0.02 1.86 -0.12 0.00 0.71 0.00 0.00 52.55 55.02 1xqq s ASP 21 Cb 0.14 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.49 1xqq s ASP 21 CO 0.81 0.05 1.06 0.42 0.21 0.00 0.00 175.17 177.72 1xqq s THR 22 N -1.40 3.98 0.31 -1.27 -4.23 -1.26 -2.94 115.64 108.82 1xqq s THR 22 Ca 0.45 0.69 0.07 0.00 -1.18 0.00 0.00 61.69 61.72 1xqq s THR 22 Cb -0.22 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.53 1xqq s THR 22 CO 0.27 -0.79 1.74 0.40 -0.54 0.00 0.00 174.62 175.70 1xqq h ILE 23 N -0.51 0.58 -0.61 2.99 1.08 -0.77 -1.55 117.51 118.71 1xqq h ILE 23 Ca -0.44 -0.20 0.12 0.00 -0.39 0.00 0.00 64.86 63.94 1xqq h ILE 23 Cb 1.21 -0.07 -0.12 0.00 -3.07 0.00 0.00 36.82 34.78 1xqq h ILE 23 CO 0.57 0.11 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.90 1xqq h GLU 24 N 0.59 -0.00 0.00 2.37 4.81 -1.41 0.08 114.58 121.02 1xqq h GLU 24 Ca 0.60 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.74 1xqq h GLU 24 Cb 1.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1xqq h GLU 24 CO -0.45 -0.00 -0.40 -0.91 -0.73 0.00 0.00 179.01 176.51 1xqq h ASN 25 N -0.00 0.00 -0.05 1.04 -0.26 -1.59 -2.43 115.58 112.28 1xqq h ASN 25 Ca 0.29 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.85 1xqq h ASN 25 Cb 0.45 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.70 1xqq h ASN 25 CO -0.63 0.40 -0.61 0.58 -1.06 0.00 0.00 177.43 176.12 1xqq h VAL 26 N 0.00 1.31 -0.54 2.81 2.07 -0.98 -2.27 116.25 118.65 1xqq h VAL 26 Ca -0.00 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.70 1xqq h VAL 26 Cb 0.72 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1xqq h VAL 26 CO 0.05 0.58 0.36 0.11 0.02 0.00 0.00 177.57 178.69 1xqq h LYS 27 N 0.49 0.60 -0.12 1.57 1.57 -0.88 -2.69 116.57 117.12 1xqq h LYS 27 Ca -0.00 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 1xqq h LYS 27 Cb 1.19 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1xqq h LYS 27 CO 0.12 0.40 -0.75 0.00 -0.57 0.00 0.00 179.45 178.65 1xqq h ALA 28 N 1.69 0.46 -0.68 3.86 0.00 -1.27 0.17 119.26 123.50 1xqq h ALA 28 Ca 0.21 -0.60 0.11 0.00 0.00 0.00 0.00 54.91 54.63 1xqq h ALA 28 Cb 0.09 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 1xqq h ALA 28 CO -0.06 0.73 0.27 0.87 0.00 0.00 0.00 179.25 181.06 1xqq h LYS 29 N 0.40 0.43 -0.06 0.00 1.79 -1.38 0.81 116.57 118.57 1xqq h LYS 29 Ca -0.04 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1xqq h LYS 29 Cb 1.35 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1xqq h LYS 29 CO 0.14 0.28 -0.09 0.82 -1.08 0.00 0.00 179.45 179.53 1xqq h ILE 30 N 0.44 1.39 -0.50 1.86 2.04 -1.09 -1.91 117.51 119.75 1xqq h ILE 30 Ca 0.35 -1.32 0.10 0.00 1.00 0.00 0.00 64.86 64.99 1xqq h ILE 30 Cb 0.47 2.13 -0.10 0.00 -0.74 0.00 0.00 36.82 38.58 1xqq h ILE 30 CO -0.34 0.37 -0.15 -0.61 0.00 0.00 0.00 178.15 177.42 1xqq h GLN 31 N -0.29 -0.03 -0.36 2.37 4.15 -0.61 0.93 115.11 121.27 1xqq h GLN 31 Ca 0.01 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1xqq h GLN 31 Cb 0.63 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.27 1xqq h GLN 31 CO 0.02 -0.02 -0.01 0.22 -1.93 0.00 0.00 178.83 177.12 1xqq h ASP 32 N -0.03 -0.16 0.48 -0.69 3.58 -0.69 -0.69 116.42 118.22 1xqq h ASP 32 Ca 0.24 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.75 1xqq h ASP 32 Cb 0.40 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.60 1xqq h ASP 32 CO -0.53 -0.05 -0.23 0.50 -2.88 0.00 0.00 179.24 176.05 1xqq h LYS 33 N 0.09 -0.62 0.04 0.28 1.63 -0.80 -3.41 116.57 113.78 1xqq h LYS 33 Ca 0.18 0.04 -0.37 0.00 -0.85 0.00 0.00 60.65 59.65 1xqq h LYS 33 Cb 0.25 0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 31.97 1xqq h LYS 33 CO -0.30 -0.33 -2.22 0.39 -3.45 0.00 0.00 179.45 173.54 1xqq n GLU 34 N -5.23 0.69 0.00 1.90 -0.58 0.27 -5.02 120.64 112.66 1xqq n GLU 34 Ca -0.10 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1xqq n GLU 34 Cb 0.30 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.99 0.57 3.69 0.62 0.00 -0.27 -5.03 105.19 106.76 1xqq n GLY 35 Ca -0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 3.93 0.50 -0.61 1.01 -1.26 -4.98 121.20 117.80 1xqq s ILE 36 Ca 0.00 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 61.88 1xqq s ILE 36 Cb 0.00 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1xqq s ILE 36 CO 0.00 -0.01 0.82 -2.16 0.00 0.00 0.00 174.94 173.59 1xqq s PRO 37 N 2.44 3.49 0.00 2.79 0.04 -1.26 -3.81 135.00 138.69 1xqq s PRO 37 Ca 0.61 0.24 0.23 0.00 0.04 0.00 0.00 61.00 62.11 1xqq s PRO 37 Cb -0.28 -2.34 1.08 0.00 0.04 0.00 0.00 34.50 33.00 1xqq s PRO 37 CO 0.24 -0.28 1.74 -0.35 0.04 0.00 0.00 177.00 178.38 1xqq n PRO 38 N -2.34 0.21 0.02 0.56 -0.04 -1.26 -2.04 135.00 130.11 1xqq n PRO 38 Ca 0.01 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 1xqq n PRO 38 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1xqq n PRO 38 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xqq h ASP 39 N 0.00 -0.14 -0.55 3.54 2.03 -2.01 -3.24 116.42 116.05 1xqq h ASP 39 Ca 0.00 -0.23 0.05 0.00 -0.73 0.00 0.00 57.03 56.12 1xqq h ASP 39 Cb 0.28 0.04 -0.05 0.00 -0.83 0.00 0.00 39.33 38.76 1xqq h ASP 39 CO 0.00 0.43 0.29 1.56 -1.03 0.00 0.00 179.24 180.49 1xqq h GLN 40 N -1.00 0.53 -6.07 4.15 4.20 -1.93 -3.42 115.11 111.57 1xqq h GLN 40 Ca -0.02 -0.03 -0.58 0.00 0.06 0.00 0.00 58.65 58.08 1xqq h GLN 40 Cb 0.36 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1xqq h GLN 40 CO 0.03 0.35 1.43 -0.65 -0.67 0.00 0.00 178.83 179.32 1xqq s GLN 41 N -6.12 3.22 -0.14 1.46 -0.21 -0.86 -3.18 119.66 113.82 1xqq s GLN 41 Ca -0.13 1.91 -0.03 0.00 0.02 0.00 0.00 55.36 57.14 1xqq s GLN 41 Cb 0.14 -4.32 -0.02 0.00 1.00 0.00 0.00 33.01 29.81 1xqq s GLN 41 CO 0.74 -2.00 -0.06 0.50 -2.12 0.00 0.00 175.29 172.36 1xqq s ARG 42 N 6.10 3.56 -0.16 2.91 3.52 -0.55 -4.89 118.95 129.44 1xqq s ARG 42 Ca 0.95 -0.55 -0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1xqq s ARG 42 Cb -0.31 -2.84 -0.02 0.00 -1.56 0.00 0.00 34.95 30.22 1xqq s ARG 42 CO 0.35 0.26 -0.06 -0.51 -0.81 0.00 0.00 175.30 174.53 1xqq s LEU 43 N 0.28 3.05 0.17 -0.88 1.43 -1.26 0.06 118.68 121.54 1xqq s LEU 43 Ca -0.05 -0.22 0.11 0.00 -1.03 0.00 0.00 54.13 52.95 1xqq s LEU 43 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1xqq s LEU 43 CO 0.03 0.15 -0.24 -0.63 0.23 0.00 0.00 176.35 175.89 1xqq s ILE 44 N 0.49 2.37 -0.05 -0.59 -1.09 -0.41 -3.88 121.20 118.05 1xqq s ILE 44 Ca -0.05 -1.91 -0.04 0.00 -2.23 0.00 0.00 60.65 56.41 1xqq s ILE 44 Cb -0.15 -2.11 -0.01 0.00 -1.58 0.00 0.00 42.46 38.61 1xqq s ILE 44 CO 0.03 -0.04 -0.09 0.33 -1.23 0.00 0.00 174.94 173.94 1xqq n PHE 45 N 0.48 0.11 -3.66 3.97 7.35 -1.26 -1.26 117.46 123.19 1xqq n PHE 45 Ca -0.14 0.05 -0.09 0.00 -0.76 0.00 0.00 57.45 56.51 1xqq n PHE 45 Cb 0.55 -0.25 -0.09 0.00 0.35 0.00 0.00 39.48 40.04 1xqq n PHE 45 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xqq s ALA 46 N -2.95 -1.52 0.00 3.13 0.00 -1.26 -4.61 121.76 114.56 1xqq s ALA 46 Ca -0.07 2.02 0.00 0.00 0.00 0.00 0.00 51.96 53.91 1xqq s ALA 46 Cb 0.01 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.93 1xqq s ALA 46 CO 0.10 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1xqq n GLY 47 N 4.21 2.87 3.38 0.00 0.00 -1.26 -4.92 105.19 109.47 1xqq n GLY 47 Ca -0.21 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 1.50 0.07 1.61 -2.85 -1.26 -5.14 119.74 113.67 1xqq s LYS 48 Ca 0.00 -1.58 -0.26 0.00 -1.00 0.00 0.00 55.97 53.13 1xqq s LYS 48 Cb 0.00 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 36.08 1xqq s LYS 48 CO 0.00 -0.57 0.81 1.14 0.10 0.00 0.00 175.35 176.83 1xqq s GLN 49 N -3.83 4.55 0.49 1.78 0.00 -1.26 -4.57 119.66 116.82 1xqq s GLN 49 Ca 0.33 1.16 -0.19 0.00 -0.00 0.00 0.00 55.36 56.65 1xqq s GLN 49 Cb 0.03 -3.35 -0.08 0.00 0.00 0.00 0.00 33.01 29.60 1xqq s GLN 49 CO 0.14 0.30 1.00 -0.51 0.00 0.00 0.00 175.29 176.23 1xqq s LEU 50 N -0.18 3.79 0.54 2.60 1.43 -1.25 -5.06 118.68 120.55 1xqq s LEU 50 Ca 0.40 1.78 -0.15 0.00 -1.03 0.00 0.00 54.13 55.12 1xqq s LEU 50 Cb -0.21 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.40 1xqq s LEU 50 CO 0.25 -0.67 1.00 -1.61 0.23 0.00 0.00 176.35 175.55 1xqq s GLU 51 N -3.48 3.82 0.00 1.70 2.02 -1.26 -5.00 118.70 116.51 1xqq s GLU 51 Ca 0.64 0.94 -0.19 0.00 0.02 0.00 0.00 54.97 56.38 1xqq s GLU 51 Cb -0.13 -2.11 -0.28 0.00 0.10 0.00 0.00 34.13 31.71 1xqq s GLU 51 CO 0.22 -0.38 1.03 -0.44 0.02 0.00 0.00 175.26 175.71 1xqq h ASP 52 N 0.65 0.62 -0.93 -0.19 3.32 -1.97 -3.29 116.42 114.62 1xqq h ASP 52 Ca -0.46 -0.85 -0.47 0.00 0.02 0.00 0.00 57.03 55.27 1xqq h ASP 52 Cb 1.19 -0.19 -0.28 0.00 0.22 0.00 0.00 39.33 40.27 1xqq h ASP 52 CO 0.61 1.40 0.59 0.61 -1.72 0.00 0.00 179.24 180.74 1xqq n GLY 53 N 1.37 4.31 3.53 2.75 0.00 -1.26 -1.10 105.19 114.79 1xqq n GLY 53 Ca -0.13 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 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 -3.13 2.00 0.53 1.61 1.81 -1.24 -4.93 118.95 115.60 1xqq s ARG 54 Ca 0.55 -1.07 0.09 0.00 -1.72 0.00 0.00 55.73 53.58 1xqq s ARG 54 Cb 0.46 -2.22 0.07 0.00 -0.45 0.00 0.00 34.95 32.80 1xqq s ARG 54 CO 0.11 0.50 0.73 0.95 -0.68 0.00 0.00 175.30 176.91 1xqq s THR 55 N -1.15 2.36 -1.18 0.02 -4.23 -1.26 -1.42 115.64 108.78 1xqq s THR 55 Ca 0.19 -1.01 0.20 0.00 -1.18 0.00 0.00 61.69 59.90 1xqq s THR 55 Cb -0.11 -2.36 0.25 0.00 1.34 0.00 0.00 72.50 71.62 1xqq s THR 55 CO 0.11 0.00 1.65 0.18 -0.54 0.00 0.00 174.62 176.02 1xqq n LEU 56 N -2.14 0.00 -0.04 4.79 4.77 -1.15 -2.22 117.00 121.00 1xqq n LEU 56 Ca 0.14 0.41 -0.06 0.00 -0.03 0.00 0.00 56.01 56.46 1xqq n LEU 56 Cb 0.61 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 41.15 1xqq n LEU 56 CO 0.40 -0.13 -0.76 -1.20 -1.33 0.00 0.00 177.39 174.37 1xqq n SER 57 N -1.41 0.45 0.10 -1.43 7.64 -0.95 -1.57 113.62 116.46 1xqq n SER 57 Ca 0.07 0.21 -0.13 0.00 1.01 0.00 0.00 58.87 60.03 1xqq n SER 57 Cb 0.21 0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 63.88 1xqq n SER 57 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1xqq h ASP 58 N 0.00 -0.17 0.31 6.43 3.32 -1.82 -3.24 116.42 121.24 1xqq h ASP 58 Ca -0.35 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1xqq h ASP 58 Cb 1.97 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.57 1xqq h ASP 58 CO 0.05 -0.01 -0.33 -1.22 -1.72 0.00 0.00 179.24 176.01 1xqq n TYR 59 N -5.12 0.00 -2.65 4.55 4.01 -0.94 -4.94 117.16 112.07 1xqq n TYR 59 Ca -0.09 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.56 1xqq n TYR 59 Cb 0.15 -0.16 0.02 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.89 -3.45 -4.39 7.72 4.13 -0.77 -4.97 115.26 112.64 1xqq n ASN 60 Ca 0.10 -0.14 -0.42 0.00 1.68 0.00 0.00 54.58 55.81 1xqq n ASN 60 Cb 0.34 -2.27 -0.10 0.00 -1.54 0.00 0.00 39.78 36.21 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 -2.86 4.83 0.50 2.41 1.01 -0.61 -5.03 121.20 121.44 1xqq s ILE 61 Ca 0.15 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1xqq s ILE 61 Cb -0.06 -3.74 0.07 0.00 0.01 0.00 0.00 42.46 38.75 1xqq s ILE 61 CO 0.18 -0.32 0.62 0.00 0.00 0.00 0.00 174.94 175.43 1xqq n GLN 62 N 5.06 0.69 -1.50 2.79 6.02 -1.26 -4.75 117.38 124.43 1xqq n GLN 62 Ca -0.11 -2.76 -0.39 0.00 -0.01 0.00 0.00 57.00 53.73 1xqq n GLN 62 Cb 0.46 -0.10 0.03 0.00 1.02 0.00 0.00 30.24 31.66 1xqq n GLN 62 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1xqq n LYS 63 N -1.99 0.64 -3.46 -1.09 2.85 -1.26 -3.18 118.16 110.67 1xqq n LYS 63 Ca 0.11 0.25 -0.25 0.00 -1.05 0.00 0.00 58.31 57.36 1xqq n LYS 63 Cb 0.52 -1.77 0.02 0.00 -0.65 0.00 0.00 35.03 33.15 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 -0.09 -4.56 -3.76 -1.58 1.02 0.14 -4.96 120.64 106.85 1xqq n GLU 64 Ca 0.12 0.63 -0.35 0.00 -0.02 0.00 0.00 57.16 57.54 1xqq n GLU 64 Cb 0.46 -5.45 -0.05 0.00 -0.02 0.00 0.00 31.44 26.38 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 -2.91 6.49 -0.45 1.62 0.01 -1.19 -4.80 113.70 112.46 1xqq s SER 65 Ca 0.47 0.56 -0.14 0.00 1.31 0.00 0.00 55.95 58.14 1xqq s SER 65 Cb -0.23 -2.09 0.07 0.00 0.21 0.00 0.00 66.02 63.97 1xqq s SER 65 CO 0.58 0.26 0.36 -0.89 0.41 0.00 0.00 173.24 173.95 1xqq s THR 66 N -1.29 5.05 0.24 1.44 2.01 -1.26 -1.01 115.64 120.83 1xqq s THR 66 Ca 0.27 -1.06 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 1xqq s THR 66 Cb -0.13 -4.00 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 1xqq s THR 66 CO 0.16 -0.52 0.56 -0.76 -0.69 0.00 0.00 174.62 173.36 1xqq s LEU 67 N 1.61 4.15 -0.20 4.42 1.02 -0.36 -4.96 118.68 124.36 1xqq s LEU 67 Ca 0.04 0.93 -0.08 0.00 0.02 0.00 0.00 54.13 55.04 1xqq s LEU 67 Cb -0.23 -3.70 -0.04 0.00 0.02 0.00 0.00 46.19 42.23 1xqq s LEU 67 CO 0.06 -0.09 0.08 -1.00 0.02 0.00 0.00 176.35 175.42 1xqq s HIS 68 N -1.85 3.24 -0.29 0.29 3.76 -0.38 -0.53 115.29 119.52 1xqq s HIS 68 Ca 0.48 0.03 -0.09 0.00 -0.15 0.00 0.00 55.06 55.33 1xqq s HIS 68 Cb -0.11 -2.14 -0.01 0.00 1.11 0.00 0.00 32.58 31.43 1xqq s HIS 68 CO 0.22 0.06 0.12 -1.17 -0.85 0.00 0.00 174.74 173.12 1xqq s LEU 69 N 0.69 3.92 0.46 0.89 2.96 -0.43 -1.28 118.68 125.88 1xqq s LEU 69 Ca 0.04 -0.48 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1xqq s LEU 69 Cb -0.13 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 1xqq s LEU 69 CO 0.02 -0.16 0.01 0.68 -1.32 0.00 0.00 176.35 175.58 1xqq s VAL 70 N 1.60 1.60 -0.23 1.68 -7.23 0.11 -2.61 120.40 115.31 1xqq s VAL 70 Ca 0.05 -1.99 -0.14 0.00 -1.81 0.00 0.00 61.98 58.09 1xqq s VAL 70 Cb -0.17 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 1xqq s VAL 70 CO 0.05 0.00 0.32 -0.22 -0.31 0.00 0.00 175.10 174.94 1xqq s LEU 71 N -3.80 4.11 0.28 1.32 2.96 -1.26 -1.49 118.68 120.80 1xqq s LEU 71 Ca 0.21 0.33 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 1xqq s LEU 71 Cb 0.06 -2.36 -0.10 0.00 0.50 0.00 0.00 46.19 44.29 1xqq s LEU 71 CO 0.11 -0.06 1.12 -0.60 -1.32 0.00 0.00 176.35 175.60 1xqq s ARG 72 N 1.43 4.62 -0.16 1.98 3.52 -1.19 -4.91 118.95 124.23 1xqq s ARG 72 Ca 0.14 1.83 -0.18 0.00 -0.13 0.00 0.00 55.73 57.40 1xqq s ARG 72 Cb -0.15 -3.19 -0.15 0.00 -1.56 0.00 0.00 34.95 29.91 1xqq s ARG 72 CO 0.08 0.17 0.23 -0.07 -0.81 0.00 0.00 175.30 174.89 1xqq h LEU 73 N 3.87 0.00 0.00 -0.88 3.38 -1.97 -3.48 115.31 116.24 1xqq h LEU 73 Ca -0.47 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1xqq h LEU 73 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xqq h LEU 73 CO 0.67 1.09 0.00 0.54 0.09 0.00 0.00 178.44 180.83 1xqq n ARG 74 N -4.56 0.00 0.10 1.13 1.74 -1.26 -5.10 116.66 108.71 1xqq n ARG 74 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1xqq n ARG 74 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 1xqq n ARG 74 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xqq n GLY 75 N 3.99 -1.31 0.01 -0.13 0.00 -1.26 -5.16 105.19 101.33 1xqq n GLY 75 Ca 0.00 0.36 0.16 0.00 0.00 0.00 0.00 46.02 46.54 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93