#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 4.14 0.59 3.17 -0.21 -1.26 -0.67 119.66 125.43 1xqq s GLN 2 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.65 1xqq s GLN 2 Cb 0.00 -3.58 0.05 0.00 1.00 0.00 0.00 33.01 30.49 1xqq s GLN 2 CO 0.00 -0.15 0.83 0.96 -2.12 0.00 0.00 175.29 174.81 1xqq s ILE 3 N 1.65 2.54 -0.27 1.08 -4.36 -0.07 -0.05 121.20 121.72 1xqq s ILE 3 Ca 0.20 -0.62 -0.02 0.00 -0.26 0.00 0.00 60.65 59.95 1xqq s ILE 3 Cb -0.15 -2.91 0.04 0.00 1.25 0.00 0.00 42.46 40.68 1xqq s ILE 3 CO 0.09 0.00 -0.03 -0.36 0.24 0.00 0.00 174.94 174.87 1xqq s PHE 4 N -2.87 3.17 -0.27 1.37 0.08 -0.29 -0.94 117.98 118.23 1xqq s PHE 4 Ca 0.59 -1.74 -0.08 0.00 0.12 0.00 0.00 56.93 55.83 1xqq s PHE 4 Cb -0.09 -2.08 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1xqq s PHE 4 CO 0.40 -0.77 0.10 0.08 -0.10 0.00 0.00 175.22 174.92 1xqq s VAL 5 N 1.28 4.38 -0.37 -0.44 1.01 -0.71 -0.71 120.40 124.84 1xqq s VAL 5 Ca -0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.52 1xqq s VAL 5 Cb -0.18 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1xqq s VAL 5 CO -0.03 0.24 0.37 -0.75 0.00 0.00 0.00 175.10 174.93 1xqq s LYS 6 N 1.61 3.35 0.86 2.72 2.20 -0.60 -0.86 119.74 129.02 1xqq s LYS 6 Ca 0.06 -0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 54.95 1xqq s LYS 6 Cb -0.16 -3.87 0.11 0.00 -1.51 0.00 0.00 37.83 32.40 1xqq s LYS 6 CO 0.04 -0.64 1.10 0.95 -0.36 0.00 0.00 175.35 176.45 1xqq s THR 7 N 1.99 2.74 0.25 3.43 -4.23 0.11 0.01 115.64 119.94 1xqq s THR 7 Ca 0.11 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1xqq s THR 7 Cb -0.17 -2.56 -0.01 0.00 1.34 0.00 0.00 72.50 71.10 1xqq s THR 7 CO 0.12 -0.31 1.61 0.25 -0.54 0.00 0.00 174.62 175.74 1xqq h LEU 8 N -1.52 0.41 0.47 4.79 5.85 -1.83 -3.13 115.31 120.35 1xqq h LEU 8 Ca -0.46 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.05 1xqq h LEU 8 Cb 1.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1xqq h LEU 8 CO 0.49 0.82 -0.23 0.71 -0.34 0.00 0.00 178.44 179.89 1xqq h THR 9 N 0.31 0.00 0.00 1.05 1.35 -1.92 -3.49 112.91 110.21 1xqq h THR 9 Ca 0.02 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1xqq h THR 9 Cb 0.95 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1xqq h THR 9 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1xqq n GLY 10 N -0.10 0.00 3.14 5.82 0.00 -1.18 -5.16 105.19 107.71 1xqq n GLY 10 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 1.73 -0.32 1.61 1.02 -1.26 -4.94 119.74 117.58 1xqq s LYS 11 Ca 0.00 -0.61 -0.09 0.00 0.02 0.00 0.00 55.97 55.29 1xqq s LYS 11 Cb 0.00 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1xqq s LYS 11 CO 0.00 0.26 0.14 0.99 -0.92 0.00 0.00 175.35 175.82 1xqq s THR 12 N -0.02 4.36 -0.19 2.17 2.01 -1.26 -0.71 115.64 122.00 1xqq s THR 12 Ca -0.02 -0.63 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 1xqq s THR 12 Cb -0.11 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 1xqq s THR 12 CO 0.02 -0.00 0.23 -0.63 -0.69 0.00 0.00 174.62 173.55 1xqq s ILE 13 N 1.56 5.34 -0.52 1.82 1.01 -0.04 -4.94 121.20 125.44 1xqq s ILE 13 Ca 0.03 0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.91 1xqq s ILE 13 Cb -0.18 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.82 1xqq s ILE 13 CO 0.05 0.39 0.51 -0.89 0.00 0.00 0.00 174.94 175.00 1xqq s THR 14 N 0.58 5.10 -0.15 2.92 2.01 -1.26 -1.73 115.64 123.11 1xqq s THR 14 Ca 0.13 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1xqq s THR 14 Cb -0.12 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.12 1xqq s THR 14 CO 0.02 -0.79 -0.21 -0.22 -0.69 0.00 0.00 174.62 172.73 1xqq s LEU 15 N 1.96 2.13 -0.39 4.42 2.96 -0.11 -4.91 118.68 124.72 1xqq s LEU 15 Ca 0.07 -0.61 -0.28 0.00 -0.22 0.00 0.00 54.13 53.08 1xqq s LEU 15 Cb -0.25 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1xqq s LEU 15 CO 0.06 0.06 1.07 -1.61 -1.32 0.00 0.00 176.35 174.62 1xqq s GLU 16 N 0.91 3.89 0.09 1.98 2.02 -1.26 -0.89 118.70 125.43 1xqq s GLU 16 Ca -0.05 0.78 0.03 0.00 0.02 0.00 0.00 54.97 55.75 1xqq s GLU 16 Cb -0.15 -3.82 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 1xqq s GLU 16 CO -0.04 -1.10 -0.08 0.14 0.02 0.00 0.00 175.26 174.19 1xqq s VAL 17 N 3.94 0.78 0.36 2.63 -7.23 0.16 -4.93 120.40 116.11 1xqq s VAL 17 Ca 0.45 -1.64 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1xqq s VAL 17 Cb -0.10 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 1xqq s VAL 17 CO 0.22 -0.64 0.61 -1.61 -0.31 0.00 0.00 175.10 173.37 1xqq s GLU 18 N -2.94 3.55 0.30 4.82 0.41 -1.26 -0.02 118.70 123.55 1xqq s GLU 18 Ca 0.05 -0.10 0.20 0.00 -0.41 0.00 0.00 54.97 54.71 1xqq s GLU 18 Cb -0.01 -2.59 0.13 0.00 -1.78 0.00 0.00 34.13 29.88 1xqq s GLU 18 CO -0.02 0.08 1.35 -1.00 -0.49 0.00 0.00 175.26 175.19 1xqq h PRO 19 N 0.91 0.00 -0.51 0.39 0.13 -1.94 -3.36 132.00 127.63 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xqq h PRO 19 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xqq h PRO 19 CO 0.63 0.18 0.00 0.43 -0.23 0.00 0.00 178.00 179.01 1xqq n SER 20 N -3.02 1.82 -4.65 1.44 7.64 -1.26 -1.14 113.62 114.45 1xqq n SER 20 Ca 0.01 -2.13 -0.29 0.00 1.01 0.00 0.00 58.87 57.48 1xqq n SER 20 Cb 0.63 -0.33 -0.08 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.68 4.74 0.64 6.43 1.01 -1.26 -4.95 116.67 122.60 1xqq s ASP 21 Ca 0.17 -0.33 -0.13 0.00 0.71 0.00 0.00 52.55 52.97 1xqq s ASP 21 Cb 0.11 -1.02 -0.02 0.00 1.01 0.00 0.00 42.92 43.00 1xqq s ASP 21 CO 0.08 0.14 1.05 0.42 0.21 0.00 0.00 175.17 177.08 1xqq s THR 22 N -1.46 4.02 0.25 -1.27 -4.23 -1.26 -1.41 115.64 110.29 1xqq s THR 22 Ca 0.25 0.79 0.15 0.00 -1.18 0.00 0.00 61.69 61.70 1xqq s THR 22 Cb -0.11 -3.44 0.07 0.00 1.34 0.00 0.00 72.50 70.36 1xqq s THR 22 CO 0.17 -0.73 1.71 0.40 -0.54 0.00 0.00 174.62 175.63 1xqq h ILE 23 N -0.13 1.16 0.00 2.99 1.08 -1.08 -1.88 117.51 119.65 1xqq h ILE 23 Ca -0.45 -1.71 -0.04 0.00 -0.39 0.00 0.00 64.86 62.27 1xqq h ILE 23 Cb 1.21 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.92 1xqq h ILE 23 CO 0.58 0.46 -0.20 -0.08 -0.69 0.00 0.00 178.15 178.22 1xqq h GLU 24 N 0.00 0.00 0.20 2.37 4.81 -1.52 0.20 114.58 120.63 1xqq h GLU 24 Ca -0.00 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1xqq h GLU 24 Cb 0.93 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.33 1xqq h GLU 24 CO 0.06 0.20 -1.60 -0.97 -0.73 0.00 0.00 179.01 175.97 1xqq h ASN 25 N 0.00 0.65 -0.37 1.04 -0.73 -1.70 -1.11 115.58 113.36 1xqq h ASN 25 Ca -0.00 -0.84 0.05 0.00 1.87 0.00 0.00 56.30 57.38 1xqq h ASN 25 Cb 0.61 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 38.94 1xqq h ASN 25 CO 0.03 1.69 0.09 0.58 -0.37 0.00 0.00 177.43 179.44 1xqq h VAL 26 N 0.11 0.83 -0.87 2.57 2.07 -1.27 -2.39 116.25 117.31 1xqq h VAL 26 Ca -0.29 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1xqq h VAL 26 Cb 2.11 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.43 1xqq h VAL 26 CO 0.21 0.04 0.53 0.11 0.02 0.00 0.00 177.57 178.49 1xqq h LYS 27 N 0.22 1.18 -0.80 1.57 1.57 -0.83 -1.12 116.57 118.35 1xqq h LYS 27 Ca 0.17 -0.10 0.12 0.00 -1.87 0.00 0.00 60.65 58.98 1xqq h LYS 27 Cb 0.19 -0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.16 1xqq h LYS 27 CO -0.22 0.82 0.40 0.00 -0.57 0.00 0.00 179.45 179.88 1xqq h ALA 28 N 1.39 1.16 -0.58 3.86 0.00 -0.98 -1.16 119.26 122.94 1xqq h ALA 28 Ca 0.31 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1xqq h ALA 28 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xqq h ALA 28 CO -0.06 -0.07 0.09 0.87 0.00 0.00 0.00 179.25 180.09 1xqq h LYS 29 N 0.62 0.97 -0.59 0.00 1.57 -0.73 -2.15 116.57 116.26 1xqq h LYS 29 Ca 0.42 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1xqq h LYS 29 Cb 0.53 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1xqq h LYS 29 CO -0.33 0.92 0.38 0.82 -0.57 0.00 0.00 179.45 180.67 1xqq h ILE 30 N 0.87 1.16 -0.97 1.86 2.04 -1.16 -1.25 117.51 120.06 1xqq h ILE 30 Ca 0.18 -0.32 0.21 0.00 1.00 0.00 0.00 64.86 65.92 1xqq h ILE 30 Cb 0.42 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 1xqq h ILE 30 CO 0.01 0.16 0.62 -0.61 0.00 0.00 0.00 178.15 178.33 1xqq h GLN 31 N 0.80 0.53 0.17 2.37 4.15 -1.09 -2.02 115.11 120.02 1xqq h GLN 31 Ca 0.21 -0.03 -0.33 0.00 0.77 0.00 0.00 58.65 59.27 1xqq h GLN 31 Cb -0.06 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 27.52 1xqq h GLN 31 CO -0.04 0.35 -1.59 0.22 -1.93 0.00 0.00 178.83 175.83 1xqq h ASP 32 N 0.54 0.56 0.73 -0.69 3.58 -1.17 -3.21 116.42 116.76 1xqq h ASP 32 Ca 0.54 -0.75 -0.04 0.00 0.42 0.00 0.00 57.03 57.20 1xqq h ASP 32 Cb 1.14 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 42.01 1xqq h ASP 32 CO -0.28 1.62 -0.35 0.50 -2.88 0.00 0.00 179.24 177.85 1xqq h LYS 33 N 0.10 -0.94 0.00 0.28 1.63 -1.00 -3.43 116.57 113.20 1xqq h LYS 33 Ca -0.28 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 1xqq h LYS 33 Cb 2.07 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 33.92 1xqq h LYS 33 CO 0.19 -0.61 -0.07 0.39 -3.45 0.00 0.00 179.45 175.91 1xqq n GLU 34 N -5.45 0.04 0.00 1.90 -0.58 -0.78 -5.06 120.64 110.71 1xqq n GLU 34 Ca -0.13 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1xqq n GLU 34 Cb 0.40 -0.56 0.00 0.00 -0.57 0.00 0.00 31.44 30.71 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 1.51 0.23 3.58 0.62 0.00 -1.21 -5.03 105.19 104.88 1xqq n GLY 35 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.18 4.36 0.57 -0.61 1.01 -1.26 -5.01 121.20 120.08 1xqq s ILE 36 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 60.65 60.30 1xqq s ILE 36 Cb 0.00 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1xqq s ILE 36 CO 0.00 0.49 1.03 -2.84 0.00 0.00 0.00 174.94 173.62 1xqq s PRO 37 N 0.24 3.53 0.43 2.79 0.02 -1.26 -3.44 135.00 137.31 1xqq s PRO 37 Ca 0.01 1.12 0.29 0.00 0.02 0.00 0.00 61.00 62.44 1xqq s PRO 37 Cb -0.13 -2.07 1.19 0.00 0.02 0.00 0.00 34.50 33.51 1xqq s PRO 37 CO 0.02 -0.63 1.87 -1.35 -0.33 0.00 0.00 177.00 176.58 1xqq h PRO 38 N 0.59 0.00 0.00 5.54 0.11 -1.96 -2.08 132.00 134.20 1xqq h PRO 38 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1xqq h PRO 38 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xqq h PRO 38 CO 0.59 0.00 -0.54 0.38 -0.21 0.00 0.00 178.00 178.22 1xqq h ASP 39 N 0.00 0.00 0.81 -2.05 2.03 -1.97 -3.34 116.42 111.90 1xqq h ASP 39 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xqq h ASP 39 Cb 0.47 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.97 1xqq h ASP 39 CO 0.00 0.10 -0.80 1.56 -1.03 0.00 0.00 179.24 179.07 1xqq h GLN 40 N 0.00 0.00 -6.80 4.15 4.20 -1.67 -3.45 115.11 111.54 1xqq h GLN 40 Ca -0.01 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.20 1xqq h GLN 40 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1xqq h GLN 40 CO 0.01 0.00 0.11 -0.65 -0.67 0.00 0.00 178.83 177.63 1xqq s GLN 41 N -3.22 3.85 -0.04 1.46 -0.21 -1.17 -2.30 119.66 118.03 1xqq s GLN 41 Ca 0.04 0.53 -0.01 0.00 0.02 0.00 0.00 55.36 55.94 1xqq s GLN 41 Cb 0.13 -2.41 0.03 0.00 1.00 0.00 0.00 33.01 31.76 1xqq s GLN 41 CO 0.75 0.03 0.07 0.50 -2.12 0.00 0.00 175.29 174.53 1xqq s ARG 42 N -3.55 -0.02 -0.21 2.91 3.52 -1.08 -4.56 118.95 115.96 1xqq s ARG 42 Ca 0.52 0.33 -0.07 0.00 -0.13 0.00 0.00 55.73 56.38 1xqq s ARG 42 Cb -0.10 -0.32 -0.03 0.00 -1.56 0.00 0.00 34.95 32.93 1xqq s ARG 42 CO 0.27 -0.24 0.05 -0.51 -0.81 0.00 0.00 175.30 174.06 1xqq s LEU 43 N 1.59 3.56 -0.18 -0.88 1.43 -1.26 -1.68 118.68 121.26 1xqq s LEU 43 Ca -0.03 -0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 1xqq s LEU 43 Cb -0.12 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1xqq s LEU 43 CO -0.04 0.08 0.02 -0.63 0.23 0.00 0.00 176.35 176.01 1xqq s ILE 44 N 0.90 4.30 -0.26 -0.59 -1.09 -1.01 -1.44 121.20 122.00 1xqq s ILE 44 Ca 0.03 -0.21 -0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1xqq s ILE 44 Cb -0.14 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.83 1xqq s ILE 44 CO 0.02 0.46 -0.02 0.12 -1.23 0.00 0.00 174.94 174.29 1xqq s PHE 45 N 0.58 3.08 0.00 3.97 5.36 0.28 -1.71 117.98 129.54 1xqq s PHE 45 Ca 0.00 -1.34 0.00 0.00 -0.96 0.00 0.00 56.93 54.64 1xqq s PHE 45 Cb -0.14 -2.12 0.00 0.00 -0.34 0.00 0.00 43.02 40.43 1xqq s PHE 45 CO 0.02 -0.67 0.00 0.00 -1.46 0.00 0.00 175.22 173.11 1xqq n ALA 46 N 4.74 0.00 0.19 11.12 0.00 -1.26 -0.88 120.51 134.41 1xqq n ALA 46 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.02 3.70 0.00 0.00 -1.26 -5.02 105.19 102.59 1xqq n GLY 47 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.64 3.81 0.00 1.61 2.47 -0.06 -5.09 119.74 121.85 1xqq s LYS 48 Ca 0.09 -0.29 -0.17 0.00 -1.56 0.00 0.00 55.97 54.04 1xqq s LYS 48 Cb 0.06 -3.20 -0.06 0.00 -1.46 0.00 0.00 37.83 33.17 1xqq s LYS 48 CO 0.08 0.42 0.48 -0.65 0.16 0.00 0.00 175.35 175.84 1xqq s GLN 49 N -0.02 4.09 -0.31 4.03 -0.21 -1.26 -0.55 119.66 125.42 1xqq s GLN 49 Ca 0.07 0.54 -0.08 0.00 0.02 0.00 0.00 55.36 55.91 1xqq s GLN 49 Cb -0.12 -3.27 0.01 0.00 1.00 0.00 0.00 33.01 30.63 1xqq s GLN 49 CO 0.01 0.58 0.12 -0.51 -2.12 0.00 0.00 175.29 173.36 1xqq s LEU 50 N -0.77 4.07 -0.03 2.90 1.43 -0.52 -4.97 118.68 120.78 1xqq s LEU 50 Ca 0.26 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.39 1xqq s LEU 50 Cb -0.17 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1xqq s LEU 50 CO 0.15 -0.22 0.84 -1.61 0.23 0.00 0.00 176.35 175.73 1xqq s GLU 51 N 1.54 4.50 0.02 1.70 0.41 -1.26 -4.72 118.70 120.89 1xqq s GLU 51 Ca 0.03 1.15 -0.05 0.00 -0.41 0.00 0.00 54.97 55.69 1xqq s GLU 51 Cb -0.17 -3.45 -0.01 0.00 -1.78 0.00 0.00 34.13 28.72 1xqq s GLU 51 CO 0.04 0.02 0.65 -0.25 -0.49 0.00 0.00 175.26 175.24 1xqq n ASP 52 N 3.77 -0.16 -1.73 -0.19 9.92 -1.26 -2.32 116.55 124.58 1xqq n ASP 52 Ca 0.02 0.68 0.01 0.00 -0.53 0.00 0.00 54.79 54.97 1xqq n ASP 52 Cb 0.51 -0.24 0.30 0.00 -0.64 0.00 0.00 41.12 41.05 1xqq n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1xqq n GLY 53 N -1.04 3.00 3.90 0.44 0.00 -1.26 -1.41 105.19 108.81 1xqq n GLY 53 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.52 3.67 0.82 1.61 0.52 -0.98 -4.91 118.95 117.15 1xqq s ARG 54 Ca 0.46 0.08 -0.12 0.00 -0.52 0.00 0.00 55.73 55.63 1xqq s ARG 54 Cb 0.36 -2.63 0.08 0.00 0.52 0.00 0.00 34.95 33.28 1xqq s ARG 54 CO 0.12 0.21 1.11 0.95 0.02 0.00 0.00 175.30 177.72 1xqq s THR 55 N -2.07 2.76 0.21 0.02 -4.23 -1.26 -2.06 115.64 109.01 1xqq s THR 55 Ca 0.45 0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 61.11 1xqq s THR 55 Cb -0.11 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.84 1xqq s THR 55 CO 0.29 -0.32 1.83 -0.07 -0.54 0.00 0.00 174.62 175.81 1xqq h LEU 56 N -1.14 0.94 -2.39 4.79 3.38 -1.23 -3.29 115.31 116.37 1xqq h LEU 56 Ca -0.48 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.40 1xqq h LEU 56 Cb 1.29 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xqq h LEU 56 CO 0.61 0.76 -0.02 0.77 0.09 0.00 0.00 178.44 180.64 1xqq h SER 57 N 1.05 0.00 -0.14 -0.43 4.64 -1.39 -0.51 113.55 116.77 1xqq h SER 57 Ca 0.27 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.40 1xqq h SER 57 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1xqq h SER 57 CO -0.05 0.02 -0.60 -0.78 -0.87 0.00 0.00 176.83 174.55 1xqq h ASP 58 N 0.00 0.84 0.27 4.97 1.82 -1.85 -3.03 116.42 119.43 1xqq h ASP 58 Ca -0.00 -0.48 0.00 0.00 -0.39 0.00 0.00 57.03 56.16 1xqq h ASP 58 Cb 0.07 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.83 1xqq h ASP 58 CO 0.00 1.25 0.00 -1.22 -1.61 0.00 0.00 179.24 177.66 1xqq n TYR 59 N -3.97 0.00 -3.78 0.28 4.01 -0.78 -4.91 117.16 108.02 1xqq n TYR 59 Ca -0.05 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.46 1xqq n TYR 59 Cb 0.65 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.15 -1.29 -4.62 7.72 3.02 -0.27 -4.95 115.26 113.72 1xqq n ASN 60 Ca 0.17 -0.86 -0.43 0.00 -0.03 0.00 0.00 54.58 53.43 1xqq n ASN 60 Cb 0.16 -3.82 -0.02 0.00 -0.61 0.00 0.00 39.78 35.49 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 -3.70 4.11 0.43 2.41 -1.09 -1.02 -5.02 121.20 117.32 1xqq s ILE 61 Ca 0.07 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 59.72 1xqq s ILE 61 Cb -0.03 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1xqq s ILE 61 CO 0.83 -0.66 0.61 -1.10 -1.23 0.00 0.00 174.94 173.39 1xqq s GLN 62 N 4.42 2.95 0.51 2.79 -0.21 -1.26 -4.76 119.66 124.09 1xqq s GLN 62 Ca 0.55 -0.83 -0.21 0.00 0.02 0.00 0.00 55.36 54.89 1xqq s GLN 62 Cb -0.14 -2.66 -0.08 0.00 1.00 0.00 0.00 33.01 31.13 1xqq s GLN 62 CO 0.27 -0.24 0.89 0.36 -2.12 0.00 0.00 175.29 174.44 1xqq n LYS 63 N -1.95 1.02 -3.53 2.91 2.85 -1.26 -3.46 118.16 114.73 1xqq n LYS 63 Ca 0.03 0.38 -0.25 0.00 -1.05 0.00 0.00 58.31 57.42 1xqq n LYS 63 Cb 0.58 -2.00 0.05 0.00 -0.65 0.00 0.00 35.03 33.02 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 -0.24 -6.51 -3.92 -1.58 1.02 0.93 -4.98 120.64 105.35 1xqq n GLU 64 Ca 0.11 0.77 -0.35 0.00 -0.02 0.00 0.00 57.16 57.68 1xqq n GLU 64 Cb 0.43 -5.74 -0.09 0.00 -0.02 0.00 0.00 31.44 26.03 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 -3.15 5.86 -0.50 1.62 0.01 -1.22 -4.79 113.70 111.53 1xqq s SER 65 Ca 0.54 0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.83 1xqq s SER 65 Cb -0.25 -1.99 0.12 0.00 0.21 0.00 0.00 66.02 64.11 1xqq s SER 65 CO 0.66 0.20 0.42 -0.89 0.41 0.00 0.00 173.24 174.04 1xqq s THR 66 N 0.20 4.79 0.08 1.44 2.01 -1.26 -1.14 115.64 121.76 1xqq s THR 66 Ca 0.06 -1.54 -0.28 0.00 0.31 0.00 0.00 61.69 60.24 1xqq s THR 66 Cb -0.12 -4.06 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 1xqq s THR 66 CO -0.00 -0.78 0.89 -0.76 -0.69 0.00 0.00 174.62 173.28 1xqq s LEU 67 N 1.51 4.47 -0.62 4.42 1.43 0.11 -4.80 118.68 125.20 1xqq s LEU 67 Ca 0.04 1.66 -0.22 0.00 -1.03 0.00 0.00 54.13 54.58 1xqq s LEU 67 Cb -0.27 -3.46 0.07 0.00 0.03 0.00 0.00 46.19 42.56 1xqq s LEU 67 CO 0.02 -0.05 0.90 -1.00 0.23 0.00 0.00 176.35 176.45 1xqq s HIS 68 N 0.03 2.76 -0.24 0.29 3.76 -0.69 -1.56 115.29 119.63 1xqq s HIS 68 Ca 0.44 -0.54 -0.29 0.00 -0.15 0.00 0.00 55.06 54.52 1xqq s HIS 68 Cb -0.22 -4.17 -0.02 0.00 1.11 0.00 0.00 32.58 29.28 1xqq s HIS 68 CO 0.27 -1.51 1.54 -1.17 -0.85 0.00 0.00 174.74 173.02 1xqq s LEU 69 N 3.74 3.88 0.00 0.89 2.96 0.10 -2.42 118.68 127.83 1xqq s LEU 69 Ca 0.21 1.50 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 1xqq s LEU 69 Cb -0.18 -3.53 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 1xqq s LEU 69 CO 0.11 -1.23 0.01 1.33 -1.32 0.00 0.00 176.35 175.25 1xqq n VAL 70 N 6.39 0.00 -3.42 1.68 0.24 -0.68 -2.42 118.33 120.13 1xqq n VAL 70 Ca 0.18 -1.09 -0.38 0.00 -2.04 0.00 0.00 64.34 61.01 1xqq n VAL 70 Cb 0.46 0.25 -0.07 0.00 -1.47 0.00 0.00 33.84 33.01 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 4.20 -0.27 1.34 2.96 -1.26 -2.65 118.68 123.00 1xqq s LEU 71 Ca 0.02 0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 54.33 1xqq s LEU 71 Cb 0.00 -2.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1xqq s LEU 71 CO 0.01 -0.01 0.45 -0.60 -1.32 0.00 0.00 176.35 174.88 1xqq s ARG 72 N 0.94 4.00 0.11 1.98 3.52 -0.97 -4.86 118.95 123.66 1xqq s ARG 72 Ca 0.20 0.14 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 1xqq s ARG 72 Cb -0.14 -3.67 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 1xqq s ARG 72 CO 0.07 -0.35 0.16 -0.51 -0.81 0.00 0.00 175.30 173.87 1xqq s LEU 73 N 2.20 4.04 0.59 -0.88 1.43 -1.26 -4.75 118.68 120.06 1xqq s LEU 73 Ca 0.18 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 1xqq s LEU 73 Cb -0.16 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.36 1xqq s LEU 73 CO 0.10 0.12 1.07 -0.13 0.23 0.00 0.00 176.35 177.74 1xqq s ARG 74 N -2.74 3.29 0.00 1.70 1.81 -1.26 -4.21 118.95 117.54 1xqq s ARG 74 Ca 0.32 1.26 0.00 0.00 -1.72 0.00 0.00 55.73 55.59 1xqq s ARG 74 Cb -0.12 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 1xqq s ARG 74 CO 0.25 -0.84 0.00 0.41 -0.68 0.00 0.00 175.30 174.44 1xqq n GLY 75 N -0.81 0.92 0.00 -3.53 0.00 -1.26 -5.33 105.19 95.17 1xqq n GLY 75 Ca 0.09 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.52 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93