#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 4.30 0.18 3.17 -0.21 -1.26 -0.70 119.66 125.13 1xqq s GLN 2 Ca 0.00 0.57 0.11 0.00 0.02 0.00 0.00 55.36 56.06 1xqq s GLN 2 Cb 0.00 -3.39 -0.04 0.00 1.00 0.00 0.00 33.01 30.58 1xqq s GLN 2 CO 0.00 0.27 -0.24 0.96 -2.12 0.00 0.00 175.29 174.16 1xqq s ILE 3 N 0.21 2.39 -0.08 1.08 -4.36 -0.48 -0.35 121.20 119.61 1xqq s ILE 3 Ca 0.28 -1.95 0.03 0.00 -0.26 0.00 0.00 60.65 58.75 1xqq s ILE 3 Cb -0.16 -2.13 -0.02 0.00 1.25 0.00 0.00 42.46 41.40 1xqq s ILE 3 CO 0.13 -0.07 -0.16 -0.36 0.24 0.00 0.00 174.94 174.73 1xqq s PHE 4 N -1.54 2.70 -0.25 1.37 0.08 -0.38 -1.65 117.98 118.31 1xqq s PHE 4 Ca 0.20 -0.45 -0.10 0.00 0.12 0.00 0.00 56.93 56.69 1xqq s PHE 4 Cb -0.08 -1.71 -0.05 0.00 -0.57 0.00 0.00 43.02 40.61 1xqq s PHE 4 CO 0.09 -0.04 0.15 0.08 -0.10 0.00 0.00 175.22 175.40 1xqq s VAL 5 N -0.21 5.22 -0.17 -0.44 1.01 -0.86 -0.46 120.40 124.49 1xqq s VAL 5 Ca -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1xqq s VAL 5 Cb -0.13 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1xqq s VAL 5 CO 0.03 0.33 -0.02 -0.54 0.00 0.00 0.00 175.10 174.90 1xqq s LYS 6 N 1.22 3.66 0.86 2.72 -0.14 -0.50 -1.26 119.74 126.30 1xqq s LYS 6 Ca 0.07 -0.52 -0.13 0.00 -1.36 0.00 0.00 55.97 54.04 1xqq s LYS 6 Cb -0.14 -2.97 0.13 0.00 -1.68 0.00 0.00 37.83 33.17 1xqq s LYS 6 CO 0.06 0.17 1.21 0.95 -0.76 0.00 0.00 175.35 176.98 1xqq s THR 7 N 0.56 2.04 0.34 2.17 -4.23 -0.51 -1.35 115.64 114.65 1xqq s THR 7 Ca -0.02 -0.06 0.19 0.00 -1.18 0.00 0.00 61.69 60.62 1xqq s THR 7 Cb -0.14 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.89 1xqq s THR 7 CO 0.02 0.00 1.89 -0.07 -0.54 0.00 0.00 174.62 175.92 1xqq h LEU 8 N -1.23 0.00 -0.01 4.79 3.38 -1.92 -3.25 115.31 117.06 1xqq h LEU 8 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1xqq h LEU 8 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1xqq h LEU 8 CO 0.52 0.28 -0.10 0.71 0.09 0.00 0.00 178.44 179.94 1xqq h THR 9 N 0.00 1.53 0.00 0.22 1.35 -1.94 -3.49 112.91 110.58 1xqq h THR 9 Ca -0.00 -1.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1xqq h THR 9 Cb 0.59 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1xqq h THR 9 CO 0.04 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1xqq n GLY 10 N 0.81 0.59 3.10 5.82 0.00 -1.23 -5.17 105.19 109.11 1xqq n GLY 10 Ca -0.09 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.14 1xqq n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xqq s LYS 11 N -0.12 0.65 -0.24 1.61 -2.85 -1.26 -4.93 119.74 112.59 1xqq s LYS 11 Ca 0.00 -1.24 0.01 0.00 -1.00 0.00 0.00 55.97 53.74 1xqq s LYS 11 Cb 0.00 0.18 0.06 0.00 -2.06 0.00 0.00 37.83 36.01 1xqq s LYS 11 CO 0.00 -0.11 -0.06 0.99 0.10 0.00 0.00 175.35 176.27 1xqq s THR 12 N -3.90 1.69 -0.15 3.79 2.01 -1.25 -1.43 115.64 116.40 1xqq s THR 12 Ca 0.09 -1.35 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 1xqq s THR 12 Cb 0.08 -1.93 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 1xqq s THR 12 CO -0.09 -0.10 0.26 -0.63 -0.69 0.00 0.00 174.62 173.37 1xqq s ILE 13 N 1.32 5.32 -0.77 1.82 1.09 -0.39 -4.87 121.20 124.72 1xqq s ILE 13 Ca -0.06 0.48 -0.21 0.00 -1.10 0.00 0.00 60.65 59.76 1xqq s ILE 13 Cb -0.19 -3.59 0.09 0.00 -1.06 0.00 0.00 42.46 37.71 1xqq s ILE 13 CO -0.06 0.44 1.03 -0.89 -0.10 0.00 0.00 174.94 175.36 1xqq s THR 14 N 0.15 4.47 -0.25 2.92 2.01 -1.26 -2.03 115.64 121.65 1xqq s THR 14 Ca 0.16 -0.83 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 1xqq s THR 14 Cb -0.13 -4.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.63 1xqq s THR 14 CO 0.04 -1.48 0.05 -0.76 -0.69 0.00 0.00 174.62 171.77 1xqq s LEU 15 N 3.56 3.36 -0.20 4.42 1.43 -0.66 -4.97 118.68 125.62 1xqq s LEU 15 Ca 0.26 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.87 1xqq s LEU 15 Cb -0.12 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1xqq s LEU 15 CO 0.02 -0.04 0.65 -1.61 0.23 0.00 0.00 176.35 175.60 1xqq s GLU 16 N 1.58 4.21 0.08 1.70 2.02 -1.26 -1.38 118.70 125.65 1xqq s GLU 16 Ca 0.06 0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.72 1xqq s GLU 16 Cb -0.15 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 1xqq s GLU 16 CO 0.02 -0.27 -0.09 0.14 0.02 0.00 0.00 175.26 175.08 1xqq s VAL 17 N 2.01 0.78 0.23 2.63 -7.23 0.12 -4.90 120.40 114.03 1xqq s VAL 17 Ca 0.29 -1.49 0.07 0.00 -1.81 0.00 0.00 61.98 59.05 1xqq s VAL 17 Cb -0.16 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 1xqq s VAL 17 CO 0.10 -0.53 0.13 -1.61 -0.31 0.00 0.00 175.10 172.88 1xqq s GLU 18 N -2.51 2.76 0.54 4.82 2.02 -1.26 -0.47 118.70 124.59 1xqq s GLU 18 Ca 0.01 -1.08 0.32 0.00 0.02 0.00 0.00 54.97 54.24 1xqq s GLU 18 Cb -0.04 -2.49 1.42 0.00 0.10 0.00 0.00 34.13 33.12 1xqq s GLU 18 CO -0.01 0.42 2.01 -1.35 0.02 0.00 0.00 175.26 176.36 1xqq h PRO 19 N 1.89 0.00 0.00 0.39 0.11 -1.94 -2.54 132.00 129.91 1xqq h PRO 19 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xqq h PRO 19 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xqq h PRO 19 CO 0.61 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.33 1xqq n SER 20 N -3.23 0.25 -4.72 -2.05 3.41 -1.26 -1.04 113.62 104.98 1xqq n SER 20 Ca -0.00 0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 58.77 1xqq n SER 20 Cb 0.29 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.47 7.45 0.59 4.04 1.01 -0.96 -4.89 116.67 120.44 1xqq s ASP 21 Ca 0.04 1.79 -0.16 0.00 0.71 0.00 0.00 52.55 54.93 1xqq s ASP 21 Cb 0.08 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1xqq s ASP 21 CO 0.26 -0.13 1.06 0.42 0.21 0.00 0.00 175.17 177.00 1xqq s THR 22 N 0.22 3.80 -1.08 -1.27 -4.23 -1.26 -2.10 115.64 109.72 1xqq s THR 22 Ca 0.48 0.87 0.24 0.00 -1.18 0.00 0.00 61.69 62.10 1xqq s THR 22 Cb -0.23 -3.38 0.24 0.00 1.34 0.00 0.00 72.50 70.46 1xqq s THR 22 CO 0.30 -0.49 1.77 -0.38 -0.54 0.00 0.00 174.62 175.28 1xqq n ILE 23 N -1.98 0.34 0.06 2.99 -0.00 -1.00 -2.01 119.36 117.76 1xqq n ILE 23 Ca 0.09 0.09 -0.13 0.00 -0.00 0.00 0.00 62.75 62.80 1xqq n ILE 23 Cb 0.53 -0.68 -0.02 0.00 -0.00 0.00 0.00 39.64 39.46 1xqq n ILE 23 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1xqq h GLU 24 N 0.00 0.43 -0.79 0.38 4.81 -1.49 -2.42 114.58 115.50 1xqq h GLU 24 Ca 0.00 -0.42 0.03 0.00 -0.13 0.00 0.00 59.36 58.83 1xqq h GLU 24 Cb 0.38 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1xqq h GLU 24 CO 0.00 1.08 0.51 -0.97 -0.73 0.00 0.00 179.01 178.89 1xqq h ASN 25 N 0.26 0.85 -0.07 1.04 -1.24 -1.70 -2.73 115.58 112.00 1xqq h ASN 25 Ca -0.06 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 56.85 1xqq h ASN 25 Cb 1.48 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.33 1xqq h ASN 25 CO 0.15 0.59 -0.21 0.58 -1.29 0.00 0.00 177.43 177.26 1xqq h VAL 26 N 1.00 1.25 -0.02 2.57 2.07 -1.58 -2.47 116.25 119.07 1xqq h VAL 26 Ca 0.31 -1.17 -0.12 0.00 0.82 0.00 0.00 66.70 66.54 1xqq h VAL 26 Cb -0.02 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1xqq h VAL 26 CO -0.10 0.37 -0.55 0.11 0.02 0.00 0.00 177.57 177.42 1xqq h LYS 27 N 0.42 0.04 0.00 1.57 1.57 -1.14 -1.43 116.57 117.61 1xqq h LYS 27 Ca 0.07 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1xqq h LYS 27 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1xqq h LYS 27 CO 0.04 0.59 -0.30 0.00 -0.57 0.00 0.00 179.45 179.21 1xqq h ALA 28 N 1.41 1.10 0.00 3.86 0.00 -1.31 -2.28 119.26 122.04 1xqq h ALA 28 Ca -0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.36 1xqq h ALA 28 Cb 0.99 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1xqq h ALA 28 CO 0.07 0.37 -1.56 -0.22 0.00 0.00 0.00 179.25 177.92 1xqq h LYS 29 N 0.00 0.00 -0.06 0.00 1.63 -0.89 -2.76 116.57 114.49 1xqq h LYS 29 Ca -0.00 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.58 1xqq h LYS 29 Cb 0.73 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.37 1xqq h LYS 29 CO 0.04 0.58 -0.86 0.82 -3.45 0.00 0.00 179.45 176.57 1xqq h ILE 30 N 0.00 1.34 -1.05 2.00 2.04 -1.24 -2.82 117.51 117.78 1xqq h ILE 30 Ca -0.23 -2.21 0.28 0.00 1.00 0.00 0.00 64.86 63.70 1xqq h ILE 30 Cb 1.95 2.22 -0.12 0.00 -0.74 0.00 0.00 36.82 40.13 1xqq h ILE 30 CO 0.09 0.68 0.64 -0.61 0.00 0.00 0.00 178.15 178.94 1xqq h GLN 31 N 0.35 0.41 0.16 2.37 4.15 -1.43 0.93 115.11 122.05 1xqq h GLN 31 Ca -0.07 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1xqq h GLN 31 Cb 1.48 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.08 1xqq h GLN 31 CO 0.16 0.27 -0.08 0.22 -1.93 0.00 0.00 178.83 177.48 1xqq h ASP 32 N 0.42 -0.18 0.32 -0.69 1.82 -1.39 -2.87 116.42 113.85 1xqq h ASP 32 Ca 0.66 -0.36 -0.02 0.00 -0.39 0.00 0.00 57.03 56.92 1xqq h ASP 32 Cb 1.53 0.05 0.00 0.00 0.68 0.00 0.00 39.33 41.59 1xqq h ASP 32 CO -0.43 0.35 -0.16 0.11 -1.61 0.00 0.00 179.24 177.51 1xqq h LYS 33 N -0.80 -0.42 0.08 0.28 1.57 -1.32 -3.39 116.57 112.57 1xqq h LYS 33 Ca -0.02 0.03 -0.36 0.00 -1.87 0.00 0.00 60.65 58.42 1xqq h LYS 33 Cb 0.53 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1xqq h LYS 33 CO 0.04 -0.14 -2.09 0.39 -0.57 0.00 0.00 179.45 177.07 1xqq n GLU 34 N -5.07 0.72 -0.68 3.15 -0.58 0.28 -5.03 120.64 113.43 1xqq n GLU 34 Ca -0.07 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1xqq n GLU 34 Cb 0.24 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 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 2.00 1.12 3.70 0.62 0.00 -0.96 -5.01 105.19 106.65 1xqq n GLY 35 Ca -0.33 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.22 5.35 0.32 -0.61 1.01 -1.26 -4.94 121.20 118.86 1xqq s ILE 36 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1xqq s ILE 36 Cb 0.00 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 1xqq s ILE 36 CO 0.00 0.37 1.34 -2.84 0.00 0.00 0.00 174.94 173.81 1xqq s PRO 37 N 0.76 4.32 0.00 2.79 0.02 -1.26 -3.43 135.00 138.20 1xqq s PRO 37 Ca 0.11 2.26 0.29 0.00 0.02 0.00 0.00 61.00 63.67 1xqq s PRO 37 Cb -0.13 -3.07 1.22 0.00 0.02 0.00 0.00 34.50 32.54 1xqq s PRO 37 CO 0.03 -0.25 1.88 -0.35 -0.33 0.00 0.00 177.00 177.97 1xqq n PRO 38 N 1.01 0.30 0.09 5.54 -0.04 -1.26 -2.62 135.00 138.01 1xqq n PRO 38 Ca 0.01 -0.06 -0.01 0.00 -0.04 0.00 0.00 63.50 63.40 1xqq n PRO 38 Cb 0.41 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 1xqq n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1xqq h ASP 39 N 0.15 0.28 0.03 3.54 3.58 -1.96 -2.92 116.42 119.12 1xqq h ASP 39 Ca 0.00 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 1xqq h ASP 39 Cb 0.40 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.38 1xqq h ASP 39 CO 0.00 0.58 -0.01 1.56 -2.88 0.00 0.00 179.24 178.49 1xqq h GLN 40 N 0.25 -0.03 -7.02 0.28 4.20 -1.88 -3.47 115.11 107.43 1xqq h GLN 40 Ca 0.03 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.20 1xqq h GLN 40 Cb 0.66 0.01 0.14 0.00 0.30 0.00 0.00 27.48 28.59 1xqq h GLN 40 CO 0.05 0.39 0.63 1.04 -0.67 0.00 0.00 178.83 180.27 1xqq n GLN 41 N -4.90 1.87 -4.13 1.46 6.02 -1.11 -3.66 117.38 112.95 1xqq n GLN 41 Ca -0.08 0.68 -0.30 0.00 -0.01 0.00 0.00 57.00 57.28 1xqq n GLN 41 Cb 0.23 -2.59 -0.16 0.00 1.02 0.00 0.00 30.24 28.74 1xqq n GLN 41 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1xqq s ARG 42 N -2.73 2.44 -0.25 -1.09 0.52 -0.73 -5.01 118.95 112.10 1xqq s ARG 42 Ca 0.68 -0.62 -0.08 0.00 -0.52 0.00 0.00 55.73 55.19 1xqq s ARG 42 Cb -0.43 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1xqq s ARG 42 CO 0.52 -0.20 0.10 -0.51 0.02 0.00 0.00 175.30 175.24 1xqq s LEU 43 N 1.36 3.67 -0.12 2.53 1.43 -1.26 -2.30 118.68 123.99 1xqq s LEU 43 Ca 0.03 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1xqq s LEU 43 Cb -0.13 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1xqq s LEU 43 CO -0.09 -0.01 -0.20 -0.63 0.23 0.00 0.00 176.35 175.64 1xqq s ILE 44 N 1.48 2.37 -0.42 -0.59 1.01 0.23 -0.66 121.20 124.62 1xqq s ILE 44 Ca 0.06 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1xqq s ILE 44 Cb -0.15 -1.94 0.07 0.00 0.01 0.00 0.00 42.46 40.44 1xqq s ILE 44 CO 0.05 0.55 0.28 0.12 0.00 0.00 0.00 174.94 175.94 1xqq s PHE 45 N 0.42 3.29 0.00 3.97 5.36 -0.20 -1.18 117.98 129.63 1xqq s PHE 45 Ca -0.15 -1.26 0.00 0.00 -0.96 0.00 0.00 56.93 54.56 1xqq s PHE 45 Cb -0.17 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.62 1xqq s PHE 45 CO 0.07 -0.79 0.00 0.00 -1.46 0.00 0.00 175.22 173.04 1xqq n ALA 46 N 5.00 0.00 0.00 11.12 0.00 -1.26 -1.39 120.51 133.98 1xqq n ALA 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xqq n ALA 46 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.06 3.64 0.00 0.00 -1.26 -4.98 105.19 102.65 1xqq n GLY 47 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.95 4.16 -0.18 1.61 2.20 -0.48 -4.99 119.74 120.11 1xqq s LYS 48 Ca -0.00 0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 55.96 1xqq s LYS 48 Cb 0.00 -3.62 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1xqq s LYS 48 CO 0.02 -0.36 1.02 -1.14 -0.36 0.00 0.00 175.35 174.53 1xqq s GLN 49 N 2.31 4.32 0.19 4.03 0.74 -1.26 -1.04 119.66 128.96 1xqq s GLN 49 Ca 0.29 1.36 -0.30 0.00 0.05 0.00 0.00 55.36 56.76 1xqq s GLN 49 Cb -0.16 -3.60 -0.08 0.00 1.10 0.00 0.00 33.01 30.27 1xqq s GLN 49 CO 0.09 -0.50 1.24 -0.51 -0.55 0.00 0.00 175.29 175.06 1xqq s LEU 50 N 2.71 4.44 -0.15 3.68 1.43 0.17 -4.98 118.68 125.97 1xqq s LEU 50 Ca 0.46 2.30 -0.14 0.00 -1.03 0.00 0.00 54.13 55.71 1xqq s LEU 50 Cb -0.16 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.40 1xqq s LEU 50 CO 0.11 -0.43 0.32 -1.61 0.23 0.00 0.00 176.35 174.97 1xqq s GLU 51 N -0.23 4.26 0.25 1.70 2.02 -1.26 -4.55 118.70 120.89 1xqq s GLU 51 Ca 0.54 0.15 -0.03 0.00 0.02 0.00 0.00 54.97 55.65 1xqq s GLU 51 Cb -0.34 -3.42 0.45 0.00 0.10 0.00 0.00 34.13 30.91 1xqq s GLU 51 CO 0.38 0.23 1.79 -0.44 0.02 0.00 0.00 175.26 177.24 1xqq h ASP 52 N 6.66 0.63 -0.11 -0.19 5.19 -1.96 -1.52 116.42 125.12 1xqq h ASP 52 Ca -0.41 0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.06 1xqq h ASP 52 Cb 1.17 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1xqq h ASP 52 CO 0.75 0.33 0.00 0.61 -3.12 0.00 0.00 179.24 177.81 1xqq n GLY 53 N -1.32 -0.24 3.96 2.75 0.00 -1.26 -1.32 105.19 107.76 1xqq n GLY 53 Ca 0.15 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.86 3.16 0.45 1.61 0.52 -0.57 -4.94 118.95 117.31 1xqq s ARG 54 Ca 0.29 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1xqq s ARG 54 Cb 0.15 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.98 1xqq s ARG 54 CO 0.23 -0.11 0.65 0.95 0.02 0.00 0.00 175.30 177.04 1xqq s THR 55 N -2.42 3.62 0.44 0.02 -4.23 -1.26 -2.38 115.64 109.43 1xqq s THR 55 Ca 0.46 -0.68 0.15 0.00 -1.18 0.00 0.00 61.69 60.44 1xqq s THR 55 Cb -0.10 -3.31 0.18 0.00 1.34 0.00 0.00 72.50 70.61 1xqq s THR 55 CO 0.36 -0.19 1.98 -0.07 -0.54 0.00 0.00 174.62 176.15 1xqq h LEU 56 N 0.44 0.00 -0.41 4.79 3.38 -1.31 -3.15 115.31 119.05 1xqq h LEU 56 Ca -0.45 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1xqq h LEU 56 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1xqq h LEU 56 CO 0.54 0.20 -0.13 -1.28 0.09 0.00 0.00 178.44 177.86 1xqq h SER 57 N 0.00 0.83 -0.75 -0.43 0.87 -1.37 -2.41 113.55 110.29 1xqq h SER 57 Ca -0.00 -0.38 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 1xqq h SER 57 Cb 0.36 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.05 1xqq h SER 57 CO 0.03 1.02 0.46 0.44 -0.53 0.00 0.00 176.83 178.25 1xqq h ASP 58 N 0.63 0.75 -0.05 6.23 3.32 -1.83 -1.85 116.42 123.62 1xqq h ASP 58 Ca 0.10 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xqq h ASP 58 Cb 0.67 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1xqq h ASP 58 CO 0.05 0.51 0.00 -1.22 -1.72 0.00 0.00 179.24 176.86 1xqq n TYR 59 N -4.65 0.07 -3.85 4.55 4.01 -1.19 -4.96 117.16 111.13 1xqq n TYR 59 Ca 0.09 -0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.50 1xqq n TYR 59 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.45 -2.71 -4.52 7.72 5.03 -0.70 -4.92 115.26 114.71 1xqq n ASN 60 Ca 0.13 -1.04 -0.43 0.00 0.87 0.00 0.00 54.58 54.11 1xqq n ASN 60 Cb 0.13 -3.05 -0.07 0.00 -1.02 0.00 0.00 39.78 35.77 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 -3.72 4.91 0.72 2.41 1.01 -0.93 -5.06 121.20 120.54 1xqq s ILE 61 Ca 0.24 0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.91 1xqq s ILE 61 Cb -0.10 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1xqq s ILE 61 CO 0.89 -0.48 1.08 -1.10 0.00 0.00 0.00 174.94 175.33 1xqq s GLN 62 N 2.63 2.58 0.84 2.79 -0.21 -1.26 -4.89 119.66 122.14 1xqq s GLN 62 Ca 0.20 0.25 -0.11 0.00 0.02 0.00 0.00 55.36 55.72 1xqq s GLN 62 Cb -0.15 -2.05 0.10 0.00 1.00 0.00 0.00 33.01 31.92 1xqq s GLN 62 CO 0.17 -1.15 1.14 -1.59 -2.12 0.00 0.00 175.29 171.74 1xqq s LYS 63 N -5.35 1.53 -1.91 2.91 -2.85 -1.26 -3.59 119.74 109.20 1xqq s LYS 63 Ca 0.59 1.50 0.00 0.00 -1.00 0.00 0.00 55.97 57.06 1xqq s LYS 63 Cb -0.11 -1.79 0.00 0.00 -2.06 0.00 0.00 37.83 33.87 1xqq s LYS 63 CO 0.50 -2.25 0.00 0.39 0.10 0.00 0.00 175.35 174.09 1xqq n GLU 64 N -3.78 -1.58 -2.57 1.78 1.02 0.53 -4.96 120.64 111.07 1xqq n GLU 64 Ca 0.11 1.07 -0.42 0.00 -0.02 0.00 0.00 57.16 57.90 1xqq n GLU 64 Cb 0.52 -5.58 -0.03 0.00 -0.02 0.00 0.00 31.44 26.34 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 -2.38 7.15 -0.08 1.62 0.01 -1.24 -4.77 113.70 114.01 1xqq s SER 65 Ca 0.00 1.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.65 1xqq s SER 65 Cb 0.00 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1xqq s SER 65 CO 0.00 -0.51 1.00 -0.89 0.41 0.00 0.00 173.24 173.25 1xqq s THR 66 N 2.04 4.80 0.08 1.44 2.01 -1.26 -1.25 115.64 123.50 1xqq s THR 66 Ca 0.52 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.59 1xqq s THR 66 Cb -0.22 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 67.94 1xqq s THR 66 CO 0.20 0.04 0.12 -0.76 -0.69 0.00 0.00 174.62 173.54 1xqq s LEU 67 N 1.78 3.98 -0.24 4.42 1.43 0.40 -4.67 118.68 125.78 1xqq s LEU 67 Ca 0.49 0.08 -0.10 0.00 -1.03 0.00 0.00 54.13 53.57 1xqq s LEU 67 Cb -0.19 -2.64 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 1xqq s LEU 67 CO 0.20 0.17 0.14 -1.00 0.23 0.00 0.00 176.35 176.09 1xqq s HIS 68 N -1.44 3.26 -0.19 0.29 3.76 -0.33 -1.41 115.29 119.24 1xqq s HIS 68 Ca 0.31 0.10 -0.13 0.00 -0.15 0.00 0.00 55.06 55.19 1xqq s HIS 68 Cb -0.12 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.27 1xqq s HIS 68 CO 0.24 -0.01 0.27 -1.17 -0.85 0.00 0.00 174.74 173.22 1xqq s LEU 69 N 1.13 4.20 0.20 0.89 2.96 -0.46 -0.60 118.68 127.00 1xqq s LEU 69 Ca 0.07 0.41 0.10 0.00 -0.22 0.00 0.00 54.13 54.48 1xqq s LEU 69 Cb -0.14 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1xqq s LEU 69 CO 0.05 0.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.30 1xqq s VAL 70 N 0.75 2.87 0.54 1.68 1.01 -0.97 -3.73 120.40 122.55 1xqq s VAL 70 Ca 0.15 -1.86 0.08 0.00 0.00 0.00 0.00 61.98 60.34 1xqq s VAL 70 Cb -0.13 -2.43 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1xqq s VAL 70 CO 0.04 -0.16 0.61 -0.76 0.00 0.00 0.00 175.10 174.83 1xqq s LEU 71 N -2.90 3.00 -0.28 3.92 1.43 -1.26 -1.76 118.68 120.83 1xqq s LEU 71 Ca 0.24 -0.97 -0.08 0.00 -1.03 0.00 0.00 54.13 52.29 1xqq s LEU 71 Cb -0.08 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1xqq s LEU 71 CO 0.14 -1.18 0.11 -0.60 0.23 0.00 0.00 176.35 175.05 1xqq s ARG 72 N -4.47 3.52 -0.38 1.70 3.52 -1.24 -4.90 118.95 116.71 1xqq s ARG 72 Ca 0.50 -0.58 -0.13 0.00 -0.13 0.00 0.00 55.73 55.38 1xqq s ARG 72 Cb -0.04 -3.44 0.01 0.00 -1.56 0.00 0.00 34.95 29.91 1xqq s ARG 72 CO 0.31 -0.29 0.26 -1.17 -0.81 0.00 0.00 175.30 173.60 1xqq s LEU 73 N 1.62 4.80 0.10 -0.88 2.96 -1.26 -4.82 118.68 121.21 1xqq s LEU 73 Ca 0.05 -0.73 0.00 0.00 -0.22 0.00 0.00 54.13 53.24 1xqq s LEU 73 Cb -0.16 -2.13 0.00 0.00 0.50 0.00 0.00 46.19 44.40 1xqq s LEU 73 CO 0.05 -0.35 0.00 0.54 -1.32 0.00 0.00 176.35 175.27 1xqq n ARG 74 N 5.11 0.00 0.00 1.98 1.74 -1.26 -5.07 116.66 119.16 1xqq n ARG 74 Ca -0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1xqq n ARG 74 Cb 0.48 -0.23 0.00 0.00 -1.02 0.00 0.00 32.46 31.69 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 2.29 -0.40 0.00 -0.13 0.00 -1.26 -5.38 105.19 100.32 1xqq n GLY 75 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93