#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 3.35 0.09 2.12 -2.07 -1.26 0.48 119.66 122.37 1xqq s GLN 2 Ca 0.00 -0.83 -0.16 0.00 -1.82 0.00 0.00 55.36 52.55 1xqq s GLN 2 Cb 0.00 -2.86 0.03 0.00 -1.09 0.00 0.00 33.01 29.09 1xqq s GLN 2 CO 0.00 0.35 0.39 0.96 -1.32 0.00 0.00 175.29 175.67 1xqq s ILE 3 N -2.03 0.07 -0.31 3.63 -4.36 -0.43 -1.15 121.20 116.62 1xqq s ILE 3 Ca 0.36 -0.56 -0.01 0.00 -0.26 0.00 0.00 60.65 60.18 1xqq s ILE 3 Cb -0.09 -1.08 0.06 0.00 1.25 0.00 0.00 42.46 42.60 1xqq s ILE 3 CO 0.29 -0.31 0.01 -0.36 0.24 0.00 0.00 174.94 174.81 1xqq s PHE 4 N -3.23 3.32 -0.33 1.37 0.08 -0.53 -1.43 117.98 117.24 1xqq s PHE 4 Ca -0.01 -2.03 -0.11 0.00 0.12 0.00 0.00 56.93 54.91 1xqq s PHE 4 Cb 0.01 -2.25 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1xqq s PHE 4 CO -0.08 -0.84 0.19 0.08 -0.10 0.00 0.00 175.22 174.47 1xqq s VAL 5 N 1.21 4.79 0.02 -0.44 1.01 0.76 -1.87 120.40 125.88 1xqq s VAL 5 Ca -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 1xqq s VAL 5 Cb -0.20 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1xqq s VAL 5 CO -0.02 -0.01 0.26 -0.54 0.00 0.00 0.00 175.10 174.79 1xqq s LYS 6 N 1.63 3.54 0.59 2.72 1.02 0.01 -0.32 119.74 128.94 1xqq s LYS 6 Ca 0.05 -0.16 -0.06 0.00 0.02 0.00 0.00 55.97 55.82 1xqq s LYS 6 Cb -0.17 -3.05 0.13 0.00 -0.52 0.00 0.00 37.83 34.21 1xqq s LYS 6 CO 0.07 0.63 0.81 0.25 -0.92 0.00 0.00 175.35 176.20 1xqq n THR 7 N 0.89 0.00 0.22 2.17 -2.24 -0.66 -1.92 114.28 112.75 1xqq n THR 7 Ca -0.10 -0.91 -0.09 0.00 -2.27 0.00 0.00 64.05 60.68 1xqq n THR 7 Cb 0.52 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.52 0.12 3.22 5.85 -1.90 -3.42 115.31 118.67 1xqq h LEU 8 Ca -0.26 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1xqq h LEU 8 Cb 0.85 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1xqq h LEU 8 CO 0.23 -0.21 -0.06 0.71 -0.34 0.00 0.00 178.44 178.77 1xqq h THR 9 N -0.93 0.00 0.00 1.05 1.35 -1.97 -3.47 112.91 108.94 1xqq h THR 9 Ca -0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1xqq h THR 9 Cb 0.47 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 1xqq h THR 9 CO 0.10 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1xqq n GLY 10 N -0.96 0.00 3.35 5.82 0.00 -1.26 -5.13 105.19 107.01 1xqq n GLY 10 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 2.11 -0.19 1.61 1.02 -1.26 -5.03 119.74 118.00 1xqq s LYS 11 Ca 0.00 -0.93 -0.04 0.00 0.02 0.00 0.00 55.97 55.02 1xqq s LYS 11 Cb 0.00 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1xqq s LYS 11 CO 0.00 0.56 -0.04 0.99 -0.92 0.00 0.00 175.35 175.94 1xqq s THR 12 N -0.69 3.64 -0.50 2.17 2.01 -1.26 -1.65 115.64 119.37 1xqq s THR 12 Ca 0.11 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.43 1xqq s THR 12 Cb -0.10 -2.63 0.03 0.00 0.01 0.00 0.00 72.50 69.81 1xqq s THR 12 CO 0.00 0.45 0.98 -0.63 -0.69 0.00 0.00 174.62 174.73 1xqq s ILE 13 N 0.94 4.38 -0.63 1.82 1.01 0.57 -4.92 121.20 124.36 1xqq s ILE 13 Ca 0.00 0.69 -0.17 0.00 0.00 0.00 0.00 60.65 61.17 1xqq s ILE 13 Cb -0.15 -4.51 0.13 0.00 0.01 0.00 0.00 42.46 37.95 1xqq s ILE 13 CO 0.01 -0.97 0.68 -0.89 0.00 0.00 0.00 174.94 173.77 1xqq s THR 14 N 3.99 5.04 0.02 2.92 2.01 -1.26 -0.17 115.64 128.20 1xqq s THR 14 Ca 0.37 -1.39 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 1xqq s THR 14 Cb -0.10 -4.46 -0.04 0.00 0.01 0.00 0.00 72.50 67.90 1xqq s THR 14 CO 0.25 -1.07 0.22 -0.76 -0.69 0.00 0.00 174.62 172.58 1xqq s LEU 15 N 2.02 4.36 -0.12 4.42 1.43 -0.51 -4.94 118.68 125.34 1xqq s LEU 15 Ca 0.11 0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.59 1xqq s LEU 15 Cb -0.23 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.20 1xqq s LEU 15 CO 0.02 0.22 -0.08 -1.61 0.23 0.00 0.00 176.35 175.13 1xqq s GLU 16 N -2.11 3.29 0.05 1.70 2.02 -1.26 -1.31 118.70 121.08 1xqq s GLU 16 Ca 0.30 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.68 1xqq s GLU 16 Cb -0.13 -2.72 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 1xqq s GLU 16 CO 0.21 0.36 0.04 0.14 0.02 0.00 0.00 175.26 176.03 1xqq s VAL 17 N -0.00 0.18 0.34 2.63 -7.23 0.18 -4.95 120.40 111.54 1xqq s VAL 17 Ca -0.01 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1xqq s VAL 17 Cb -0.14 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.53 1xqq s VAL 17 CO 0.03 -0.81 0.52 -1.61 -0.31 0.00 0.00 175.10 172.92 1xqq s GLU 18 N -3.43 3.40 0.00 4.82 2.02 -1.26 -0.23 118.70 124.03 1xqq s GLU 18 Ca 0.02 -0.48 0.28 0.00 0.02 0.00 0.00 54.97 54.81 1xqq s GLU 18 Cb 0.04 -2.70 1.10 0.00 0.10 0.00 0.00 34.13 32.67 1xqq s GLU 18 CO -0.08 0.15 1.77 -0.35 0.02 0.00 0.00 175.26 176.77 1xqq n PRO 19 N -1.74 1.16 0.17 0.39 -0.04 -1.26 -1.69 135.00 131.99 1xqq n PRO 19 Ca -0.05 -0.58 0.12 0.00 -0.04 0.00 0.00 63.50 62.96 1xqq n PRO 19 Cb 0.57 -1.49 0.21 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.41 0.00 -4.15 3.54 0.02 -1.97 -1.59 113.55 110.82 1xqq h SER 20 Ca 0.00 -0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 60.46 1xqq h SER 20 Cb 0.42 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.99 1xqq h SER 20 CO 0.00 0.01 0.37 -1.81 -1.14 0.00 0.00 176.83 174.26 1xqq s ASP 21 N -5.56 6.35 0.67 3.07 1.01 -0.68 -4.87 116.67 116.65 1xqq s ASP 21 Ca 0.07 1.73 -0.03 0.00 0.71 0.00 0.00 52.55 55.03 1xqq s ASP 21 Cb 0.08 -2.53 0.08 0.00 1.01 0.00 0.00 42.92 41.56 1xqq s ASP 21 CO 0.67 -0.77 0.94 0.42 0.21 0.00 0.00 175.17 176.64 1xqq s THR 22 N -2.39 2.35 0.19 -1.27 -4.23 -1.26 -2.72 115.64 106.32 1xqq s THR 22 Ca 0.62 -0.48 0.24 0.00 -1.18 0.00 0.00 61.69 60.89 1xqq s THR 22 Cb -0.13 -2.87 0.23 0.00 1.34 0.00 0.00 72.50 71.08 1xqq s THR 22 CO 0.28 0.00 1.86 0.40 -0.54 0.00 0.00 174.62 176.63 1xqq h ILE 23 N -0.41 0.59 -0.52 2.99 1.08 -1.15 -1.76 117.51 118.33 1xqq h ILE 23 Ca -0.41 -1.05 -0.12 0.00 -0.39 0.00 0.00 64.86 62.89 1xqq h ILE 23 Cb 1.29 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.72 1xqq h ILE 23 CO 0.50 0.22 -0.15 -0.08 -0.69 0.00 0.00 178.15 177.95 1xqq h GLU 24 N 0.00 1.01 -0.48 2.37 4.81 -1.62 -2.48 114.58 118.19 1xqq h GLU 24 Ca -0.00 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 58.76 1xqq h GLU 24 Cb 0.68 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1xqq h GLU 24 CO 0.03 1.07 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.45 1xqq h ASN 25 N 0.88 0.78 0.35 1.04 -0.26 -1.77 -2.32 115.58 114.28 1xqq h ASN 25 Ca 0.13 -0.20 -0.18 0.00 -0.56 0.00 0.00 56.30 55.49 1xqq h ASN 25 Cb 0.72 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1xqq h ASN 25 CO 0.06 0.86 -0.75 0.58 -1.06 0.00 0.00 177.43 177.12 1xqq h VAL 26 N 0.75 1.40 -0.45 2.81 2.07 -1.23 0.13 116.25 121.74 1xqq h VAL 26 Ca 0.14 -2.22 -0.11 0.00 0.82 0.00 0.00 66.70 65.33 1xqq h VAL 26 Cb 0.49 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1xqq h VAL 26 CO 0.02 0.66 -0.16 0.11 0.02 0.00 0.00 177.57 178.23 1xqq h LYS 27 N 0.22 0.89 -0.08 1.57 1.57 -1.53 -3.17 116.57 116.04 1xqq h LYS 27 Ca -0.03 -0.37 -0.16 0.00 -1.87 0.00 0.00 60.65 58.22 1xqq h LYS 27 Cb 1.32 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1xqq h LYS 27 CO 0.12 1.01 -0.65 0.00 -0.57 0.00 0.00 179.45 179.37 1xqq h ALA 28 N 0.85 0.76 -0.33 3.86 0.00 -1.20 -0.57 119.26 122.62 1xqq h ALA 28 Ca 0.11 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1xqq h ALA 28 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1xqq h ALA 28 CO 0.05 0.75 0.11 0.87 0.00 0.00 0.00 179.25 181.03 1xqq h LYS 29 N 0.21 0.47 -0.15 0.00 1.57 -0.80 -1.12 116.57 116.75 1xqq h LYS 29 Ca -0.01 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.52 1xqq h LYS 29 Cb 1.18 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.41 1xqq h LYS 29 CO 0.10 0.41 -0.61 0.82 -0.57 0.00 0.00 179.45 179.60 1xqq h ILE 30 N 0.47 1.31 -0.83 1.86 2.04 -1.37 -3.00 117.51 118.00 1xqq h ILE 30 Ca 0.11 -1.85 0.06 0.00 1.00 0.00 0.00 64.86 64.18 1xqq h ILE 30 Cb 0.14 2.01 -0.06 0.00 -0.74 0.00 0.00 36.82 38.17 1xqq h ILE 30 CO -0.01 0.58 0.50 -0.61 0.00 0.00 0.00 178.15 178.61 1xqq h GLN 31 N 0.37 0.89 -0.37 2.37 4.15 -0.80 0.18 115.11 121.90 1xqq h GLN 31 Ca -0.03 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.26 1xqq h GLN 31 Cb 1.24 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.72 1xqq h GLN 31 CO 0.13 0.59 -0.06 0.22 -1.93 0.00 0.00 178.83 177.78 1xqq h ASP 32 N 0.92 0.69 0.00 -0.69 3.58 -1.21 -3.04 116.42 116.66 1xqq h ASP 32 Ca 0.36 -0.34 -0.40 0.00 0.42 0.00 0.00 57.03 57.07 1xqq h ASP 32 Cb 0.18 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 40.98 1xqq h ASP 32 CO -0.18 0.87 -2.45 0.29 -2.88 0.00 0.00 179.24 174.90 1xqq n LYS 33 N -4.42 0.61 -0.02 0.28 4.76 -1.06 -4.66 118.16 113.65 1xqq n LYS 33 Ca -0.02 0.18 -0.19 0.00 -2.87 0.00 0.00 58.31 55.42 1xqq n LYS 33 Cb 0.32 -1.48 -0.14 0.00 -1.84 0.00 0.00 35.03 31.89 1xqq n LYS 33 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1xqq n GLU 34 N -3.53 0.72 0.00 1.97 -0.58 0.60 -5.01 120.64 114.81 1xqq n GLU 34 Ca -0.47 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.52 1xqq n GLU 34 Cb 0.94 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 30.12 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 1.95 1.36 3.64 0.62 0.00 -0.93 -5.01 105.19 106.83 1xqq n GLY 35 Ca -0.31 0.00 -0.40 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 5.08 0.53 -0.61 1.01 -1.26 -4.97 121.20 118.99 1xqq s ILE 36 Ca 0.00 0.94 -0.21 0.00 0.00 0.00 0.00 60.65 61.38 1xqq s ILE 36 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1xqq s ILE 36 CO 0.00 0.13 1.23 -2.84 0.00 0.00 0.00 174.94 173.46 1xqq s PRO 37 N 1.93 3.32 0.00 2.79 0.02 -1.26 -3.96 135.00 137.84 1xqq s PRO 37 Ca 0.23 1.91 0.29 0.00 0.02 0.00 0.00 61.00 63.45 1xqq s PRO 37 Cb -0.15 -2.19 1.32 0.00 0.02 0.00 0.00 34.50 33.49 1xqq s PRO 37 CO 0.09 -0.95 1.95 -0.35 -0.33 0.00 0.00 177.00 177.42 1xqq n PRO 38 N -1.02 0.15 0.06 5.54 -0.04 -1.26 -2.71 135.00 135.72 1xqq n PRO 38 Ca 0.10 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.42 1xqq n PRO 38 Cb 0.48 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.30 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 0.32 0.94 3.54 2.03 -1.99 -3.36 116.42 117.90 1xqq h ASP 39 Ca 0.00 -0.43 -0.20 0.00 -0.73 0.00 0.00 57.03 55.66 1xqq h ASP 39 Cb 0.41 -0.11 -0.03 0.00 -0.83 0.00 0.00 39.33 38.78 1xqq h ASP 39 CO 0.00 1.36 -1.13 -0.61 -1.03 0.00 0.00 179.24 177.83 1xqq h GLN 40 N 0.06 0.00 -6.53 4.15 4.15 -1.89 -3.45 115.11 111.61 1xqq h GLN 40 Ca -0.21 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.70 1xqq h GLN 40 Cb 1.98 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.67 1xqq h GLN 40 CO 0.16 0.68 -0.13 1.14 -1.93 0.00 0.00 178.83 178.75 1xqq s GLN 41 N -2.76 3.62 -0.02 1.69 -2.07 -1.13 -0.41 119.66 118.58 1xqq s GLN 41 Ca -0.00 -0.01 -0.03 0.00 -1.82 0.00 0.00 55.36 53.50 1xqq s GLN 41 Cb 0.09 -2.63 0.00 0.00 -1.09 0.00 0.00 33.01 29.38 1xqq s GLN 41 CO 0.81 0.18 0.07 0.50 -1.32 0.00 0.00 175.29 175.52 1xqq s ARG 42 N -3.70 0.16 -0.39 9.60 3.52 -0.33 -4.92 118.95 122.90 1xqq s ARG 42 Ca 0.44 -0.04 -0.14 0.00 -0.13 0.00 0.00 55.73 55.86 1xqq s ARG 42 Cb -0.11 0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.37 1xqq s ARG 42 CO 0.31 -0.03 0.27 -0.51 -0.81 0.00 0.00 175.30 174.53 1xqq s LEU 43 N -0.32 4.89 -0.13 -0.88 1.43 -1.26 -1.85 118.68 120.56 1xqq s LEU 43 Ca -0.04 -0.83 -0.14 0.00 -1.03 0.00 0.00 54.13 52.10 1xqq s LEU 43 Cb -0.03 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1xqq s LEU 43 CO 0.00 -0.39 0.31 -0.63 0.23 0.00 0.00 176.35 175.87 1xqq s ILE 44 N 1.66 5.27 -0.20 -0.59 -1.09 -0.52 -1.38 121.20 124.35 1xqq s ILE 44 Ca 0.05 0.60 -0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1xqq s ILE 44 Cb -0.19 -3.64 -0.01 0.00 -1.58 0.00 0.00 42.46 37.04 1xqq s ILE 44 CO 0.09 0.43 -0.06 0.12 -1.23 0.00 0.00 174.94 174.29 1xqq s PHE 45 N 0.17 2.94 0.00 3.97 5.36 0.25 -1.27 117.98 129.40 1xqq s PHE 45 Ca 0.18 -0.80 0.00 0.00 -0.96 0.00 0.00 56.93 55.35 1xqq s PHE 45 Cb -0.14 -2.04 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 1xqq s PHE 45 CO 0.06 -0.42 0.00 0.00 -1.46 0.00 0.00 175.22 173.39 1xqq n ALA 46 N 4.41 0.00 -1.51 11.12 0.00 -1.26 -0.70 120.51 132.57 1xqq n ALA 46 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.29 1xqq n ALA 46 Cb 0.51 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.00 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 1.57 3.13 0.00 0.00 -1.26 -5.02 105.19 103.60 1xqq n GLY 47 Ca 0.00 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.90 2.37 -0.18 1.61 -2.85 0.12 -5.11 119.74 114.80 1xqq s LYS 48 Ca 0.09 -0.66 -0.19 0.00 -1.00 0.00 0.00 55.97 54.22 1xqq s LYS 48 Cb 0.08 -1.86 -0.03 0.00 -2.06 0.00 0.00 37.83 33.96 1xqq s LYS 48 CO 0.01 0.12 0.53 1.14 0.10 0.00 0.00 175.35 177.24 1xqq s GLN 49 N 0.45 4.24 0.29 1.78 -2.07 -1.26 -0.59 119.66 122.50 1xqq s GLN 49 Ca -0.16 0.46 -0.16 0.00 -1.82 0.00 0.00 55.36 53.68 1xqq s GLN 49 Cb -0.17 -3.53 -0.09 0.00 -1.09 0.00 0.00 33.01 28.14 1xqq s GLN 49 CO 0.06 -0.08 0.71 -0.51 -1.32 0.00 0.00 175.29 174.16 1xqq s LEU 50 N 1.39 4.15 0.10 2.60 1.43 -0.48 -4.95 118.68 122.90 1xqq s LEU 50 Ca 0.25 1.28 0.09 0.00 -1.03 0.00 0.00 54.13 54.72 1xqq s LEU 50 Cb -0.15 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 1xqq s LEU 50 CO 0.10 -0.13 -0.23 -0.70 0.23 0.00 0.00 176.35 175.63 1xqq s GLU 51 N -2.69 1.28 0.00 1.70 2.12 -1.26 -4.66 118.70 115.18 1xqq s GLU 51 Ca 0.50 -1.17 0.00 0.00 0.36 0.00 0.00 54.97 54.67 1xqq s GLU 51 Cb -0.12 -1.57 0.00 0.00 0.26 0.00 0.00 34.13 32.70 1xqq s GLU 51 CO 0.19 0.38 0.00 -0.25 -0.54 0.00 0.00 175.26 175.03 1xqq n ASP 52 N 1.22 0.00 -1.25 -1.70 8.00 -1.26 -2.95 116.55 118.60 1xqq n ASP 52 Ca -0.19 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.37 1xqq n ASP 52 Cb 0.53 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.89 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xqq n GLY 53 N -0.66 2.08 3.97 0.44 0.00 -1.26 -1.77 105.19 107.99 1xqq n GLY 53 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.87 3.38 0.39 1.61 0.52 -1.15 -4.97 118.95 116.86 1xqq s ARG 54 Ca 0.36 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.90 1xqq s ARG 54 Cb 0.24 -2.84 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 1xqq s ARG 54 CO 0.15 0.31 0.43 0.95 0.02 0.00 0.00 175.30 177.17 1xqq s THR 55 N -2.07 3.15 0.36 0.02 -4.23 -1.26 -1.55 115.64 110.06 1xqq s THR 55 Ca 0.37 -1.20 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1xqq s THR 55 Cb -0.09 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.96 1xqq s THR 55 CO 0.30 -0.06 1.92 -0.07 -0.54 0.00 0.00 174.62 176.17 1xqq h LEU 56 N 0.94 0.65 -0.57 4.79 3.38 -1.41 -2.02 115.31 121.08 1xqq h LEU 56 Ca -0.42 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1xqq h LEU 56 Cb 1.27 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 1xqq h LEU 56 CO 0.53 0.38 0.31 -1.28 0.09 0.00 0.00 178.44 178.47 1xqq h SER 57 N 0.72 0.72 0.31 -0.43 0.87 -1.51 0.30 113.55 114.51 1xqq h SER 57 Ca 0.38 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1xqq h SER 57 Cb 0.49 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1xqq h SER 57 CO -0.15 0.61 -0.15 0.44 -0.53 0.00 0.00 176.83 177.04 1xqq h ASP 58 N 0.77 0.00 0.66 6.23 3.32 -1.65 -1.14 116.42 124.61 1xqq h ASP 58 Ca 0.20 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.98 1xqq h ASP 58 Cb 0.05 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1xqq h ASP 58 CO -0.03 0.15 -1.37 1.88 -1.72 0.00 0.00 179.24 178.15 1xqq h TYR 59 N 0.00 0.19 -0.41 4.55 0.05 -1.61 -3.49 116.97 116.25 1xqq h TYR 59 Ca -0.00 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.64 1xqq h TYR 59 Cb 0.35 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1xqq h TYR 59 CO 0.00 1.15 0.00 0.09 -1.05 0.00 0.00 178.16 178.35 1xqq n ASN 60 N -3.33 -0.37 -4.58 3.88 4.13 -0.43 -5.11 115.26 109.45 1xqq n ASN 60 Ca -0.10 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.80 1xqq n ASN 60 Cb 1.01 -0.09 -0.11 0.00 -1.54 0.00 0.00 39.78 39.05 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 -1.52 4.74 0.52 2.41 1.01 0.10 -5.01 121.20 123.45 1xqq s ILE 61 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1xqq s ILE 61 Cb 0.00 -3.18 0.03 0.00 0.01 0.00 0.00 42.46 39.32 1xqq s ILE 61 CO 0.00 0.39 0.38 -1.10 0.00 0.00 0.00 174.94 174.61 1xqq s GLN 62 N 0.93 2.27 0.53 2.79 -0.21 -1.26 -4.49 119.66 120.22 1xqq s GLN 62 Ca 0.05 -1.97 -0.22 0.00 0.02 0.00 0.00 55.36 53.23 1xqq s GLN 62 Cb -0.14 -2.10 -0.05 0.00 1.00 0.00 0.00 33.01 31.72 1xqq s GLN 62 CO 0.03 -0.54 1.38 -1.59 -2.12 0.00 0.00 175.29 172.44 1xqq s LYS 63 N -4.24 3.22 -1.04 2.91 -2.85 -1.26 -3.36 119.74 113.12 1xqq s LYS 63 Ca 0.35 2.28 -0.01 0.00 -1.00 0.00 0.00 55.97 57.59 1xqq s LYS 63 Cb -0.02 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 1xqq s LYS 63 CO 0.21 -1.14 0.16 0.39 0.10 0.00 0.00 175.35 175.07 1xqq n GLU 64 N -0.90 -1.88 -3.25 1.78 1.02 -0.30 -5.01 120.64 112.10 1xqq n GLU 64 Ca 0.09 0.60 -0.31 0.00 -0.02 0.00 0.00 57.16 57.52 1xqq n GLU 64 Cb 0.44 -4.78 -0.05 0.00 -0.02 0.00 0.00 31.44 27.03 1xqq n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xqq s SER 65 N -2.59 6.60 -0.25 1.62 0.15 -1.21 -4.70 113.70 113.32 1xqq s SER 65 Ca 0.08 0.99 -0.18 0.00 0.70 0.00 0.00 55.95 57.54 1xqq s SER 65 Cb -0.03 -2.25 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1xqq s SER 65 CO 0.10 -0.18 0.52 -0.89 1.20 0.00 0.00 173.24 173.99 1xqq s THR 66 N -1.99 5.08 0.28 6.45 2.01 -1.26 -1.45 115.64 124.75 1xqq s THR 66 Ca 0.49 0.90 0.11 0.00 0.31 0.00 0.00 61.69 63.50 1xqq s THR 66 Cb -0.11 -3.83 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 1xqq s THR 66 CO 0.24 0.10 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.37 1xqq s LEU 67 N 2.18 2.78 -0.22 4.42 1.43 -0.78 -4.55 118.68 123.95 1xqq s LEU 67 Ca 0.22 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1xqq s LEU 67 Cb -0.16 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1xqq s LEU 67 CO 0.09 0.03 -0.12 -1.00 0.23 0.00 0.00 176.35 175.58 1xqq s HIS 68 N -2.45 2.95 -0.32 0.29 3.76 -0.40 -0.81 115.29 118.31 1xqq s HIS 68 Ca 0.30 -1.55 -0.19 0.00 -0.15 0.00 0.00 55.06 53.47 1xqq s HIS 68 Cb -0.05 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.63 1xqq s HIS 68 CO 0.17 -0.74 0.58 -1.17 -0.85 0.00 0.00 174.74 172.72 1xqq s LEU 69 N 1.32 4.21 -0.11 0.89 0.20 -0.81 -1.43 118.68 122.95 1xqq s LEU 69 Ca 0.02 0.25 0.00 0.00 0.69 0.00 0.00 54.13 55.09 1xqq s LEU 69 Cb -0.15 -2.72 -0.02 0.00 -0.43 0.00 0.00 46.19 42.87 1xqq s LEU 69 CO -0.08 -0.48 -0.10 0.68 -0.29 0.00 0.00 176.35 176.09 1xqq s VAL 70 N 2.53 3.37 -0.04 1.68 -7.23 -0.77 -4.43 120.40 115.50 1xqq s VAL 70 Ca 0.22 -0.57 -0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1xqq s VAL 70 Cb -0.15 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1xqq s VAL 70 CO 0.13 0.55 0.14 -0.76 -0.31 0.00 0.00 175.10 174.84 1xqq s LEU 71 N -0.12 4.21 -0.32 1.32 1.43 -1.26 -1.18 118.68 122.76 1xqq s LEU 71 Ca -0.00 0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 1xqq s LEU 71 Cb -0.13 -2.36 0.02 0.00 0.03 0.00 0.00 46.19 43.74 1xqq s LEU 71 CO 0.03 0.30 1.10 -0.60 0.23 0.00 0.00 176.35 177.41 1xqq s ARG 72 N -1.63 4.05 0.40 1.70 3.52 0.46 -5.00 118.95 122.44 1xqq s ARG 72 Ca 0.23 1.08 0.08 0.00 -0.13 0.00 0.00 55.73 56.98 1xqq s ARG 72 Cb -0.12 -3.75 -0.03 0.00 -1.56 0.00 0.00 34.95 29.48 1xqq s ARG 72 CO 0.13 -0.93 0.30 -0.51 -0.81 0.00 0.00 175.30 173.48 1xqq s LEU 73 N 3.73 3.34 -0.04 -0.88 1.43 -1.26 -5.03 118.68 119.97 1xqq s LEU 73 Ca 0.46 -0.80 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 1xqq s LEU 73 Cb -0.12 -1.90 -0.32 0.00 0.03 0.00 0.00 46.19 43.88 1xqq s LEU 73 CO 0.16 -0.57 0.89 -0.09 0.23 0.00 0.00 176.35 176.98 1xqq h ARG 74 N 1.19 0.31 -1.61 1.70 9.65 -2.05 -3.36 114.38 120.22 1xqq h ARG 74 Ca -0.42 -0.54 -0.61 0.00 -1.10 0.00 0.00 59.98 57.31 1xqq h ARG 74 Cb 1.26 0.20 -0.40 0.00 -1.39 0.00 0.00 29.97 29.64 1xqq h ARG 74 CO 0.61 1.26 -0.49 0.41 2.80 0.00 0.00 179.97 184.56 1xqq n GLY 75 N 1.68 5.94 0.00 2.80 0.00 -1.26 -5.35 105.19 108.99 1xqq n GLY 75 Ca -0.14 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.14 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93