#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 3.41 0.46 3.17 -2.07 -1.26 -1.02 119.66 122.35 1xqq s GLN 2 Ca 0.00 -0.66 0.04 0.00 -1.82 0.00 0.00 55.36 52.92 1xqq s GLN 2 Cb 0.00 -2.74 -0.04 0.00 -1.09 0.00 0.00 33.01 29.14 1xqq s GLN 2 CO 0.00 0.12 0.01 0.96 -1.32 0.00 0.00 175.29 175.06 1xqq s ILE 3 N 0.60 1.53 0.07 3.63 -4.36 -0.54 -0.53 121.20 121.59 1xqq s ILE 3 Ca -0.06 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.42 1xqq s ILE 3 Cb -0.15 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.98 1xqq s ILE 3 CO 0.03 0.00 -0.25 -0.36 0.24 0.00 0.00 174.94 174.60 1xqq s PHE 4 N -2.82 2.21 -0.08 1.37 0.08 -0.06 -1.55 117.98 117.13 1xqq s PHE 4 Ca 0.20 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 1xqq s PHE 4 Cb 0.06 -1.29 0.02 0.00 -0.57 0.00 0.00 43.02 41.24 1xqq s PHE 4 CO 0.10 0.17 -0.04 0.08 -0.10 0.00 0.00 175.22 175.43 1xqq s VAL 5 N -0.87 0.66 0.01 -0.44 1.01 -0.15 -1.84 120.40 118.76 1xqq s VAL 5 Ca 0.11 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1xqq s VAL 5 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 1xqq s VAL 5 CO 0.03 0.29 -0.06 -0.75 0.00 0.00 0.00 175.10 174.62 1xqq s LYS 6 N 1.60 0.44 0.15 2.72 2.20 -0.20 -1.57 119.74 125.08 1xqq s LYS 6 Ca 0.01 -0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 55.28 1xqq s LYS 6 Cb -0.13 -0.38 0.03 0.00 -1.51 0.00 0.00 37.83 35.85 1xqq s LYS 6 CO -0.05 0.10 0.20 0.25 -0.36 0.00 0.00 175.35 175.49 1xqq n THR 7 N 2.62 0.00 0.01 3.43 -2.24 -1.09 -1.01 114.28 116.00 1xqq n THR 7 Ca -0.15 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 1xqq n THR 7 Cb 0.57 -1.88 -0.09 0.00 -2.10 0.00 0.00 70.33 66.83 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 0.89 -0.06 3.22 5.85 -1.93 -3.34 115.31 119.94 1xqq h LEU 8 Ca -0.07 -0.70 -0.05 0.00 0.84 0.00 0.00 57.88 57.91 1xqq h LEU 8 Cb 0.18 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1xqq h LEU 8 CO 0.05 1.46 -0.15 0.71 -0.34 0.00 0.00 178.44 180.16 1xqq h THR 9 N 0.40 1.44 0.00 1.05 1.35 -1.96 -3.48 112.91 111.71 1xqq h THR 9 Ca -0.09 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 1xqq h THR 9 Cb 1.54 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.26 1xqq h THR 9 CO 0.18 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 1xqq n GLY 10 N 0.54 0.36 3.65 5.82 0.00 -1.26 -5.14 105.19 109.17 1xqq n GLY 10 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.18 -0.10 1.61 2.20 -1.26 -4.80 119.74 121.57 1xqq s LYS 11 Ca 0.00 0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 56.29 1xqq s LYS 11 Cb 0.00 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1xqq s LYS 11 CO 0.00 -0.36 -0.02 0.99 -0.36 0.00 0.00 175.35 175.59 1xqq s THR 12 N 2.33 4.08 -0.04 3.43 2.01 -1.26 -2.66 115.64 123.52 1xqq s THR 12 Ca 0.30 -0.32 0.05 0.00 0.31 0.00 0.00 61.69 62.03 1xqq s THR 12 Cb -0.16 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1xqq s THR 12 CO 0.09 0.58 -0.19 0.27 -0.69 0.00 0.00 174.62 174.68 1xqq s ILE 13 N -0.56 1.58 -0.22 1.82 -4.36 -0.61 -4.98 121.20 113.87 1xqq s ILE 13 Ca 0.09 -0.82 -0.27 0.00 -0.26 0.00 0.00 60.65 59.40 1xqq s ILE 13 Cb -0.12 -1.34 -0.00 0.00 1.25 0.00 0.00 42.46 42.25 1xqq s ILE 13 CO 0.02 0.45 0.92 -0.89 0.24 0.00 0.00 174.94 175.67 1xqq s THR 14 N -0.15 4.78 -0.10 8.37 2.01 -1.26 -0.98 115.64 128.30 1xqq s THR 14 Ca -0.00 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.79 1xqq s THR 14 Cb -0.11 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.19 1xqq s THR 14 CO 0.01 -0.09 -0.15 -0.76 -0.69 0.00 0.00 174.62 172.94 1xqq s LEU 15 N 2.81 2.61 -0.30 4.42 1.43 -0.60 -5.01 118.68 124.05 1xqq s LEU 15 Ca 0.39 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1xqq s LEU 15 Cb -0.16 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1xqq s LEU 15 CO 0.08 0.21 0.09 -0.70 0.23 0.00 0.00 176.35 176.26 1xqq s GLU 16 N 0.06 3.14 0.11 1.70 2.12 -1.26 -1.47 118.70 123.09 1xqq s GLU 16 Ca -0.06 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.45 1xqq s GLU 16 Cb -0.15 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 30.81 1xqq s GLU 16 CO 0.05 -0.43 -0.02 0.14 -0.54 0.00 0.00 175.26 174.46 1xqq s VAL 17 N 1.52 0.47 0.33 3.70 -7.23 -0.19 -4.93 120.40 114.06 1xqq s VAL 17 Ca 0.03 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 1xqq s VAL 17 Cb -0.17 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1xqq s VAL 17 CO 0.03 -0.73 0.61 -1.61 -0.31 0.00 0.00 175.10 173.09 1xqq s GLU 18 N -3.91 3.66 0.61 4.82 2.02 -1.26 0.10 118.70 124.73 1xqq s GLU 18 Ca 0.16 0.11 0.34 0.00 0.02 0.00 0.00 54.97 55.60 1xqq s GLU 18 Cb 0.06 -2.58 1.96 0.00 0.10 0.00 0.00 34.13 33.68 1xqq s GLU 18 CO -0.03 0.14 2.26 -1.35 0.02 0.00 0.00 175.26 176.30 1xqq h PRO 19 N 1.49 0.00 0.00 0.39 0.11 -1.95 -0.67 132.00 131.37 1xqq h PRO 19 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xqq h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xqq h PRO 19 CO 0.65 0.02 0.00 0.77 -0.21 0.00 0.00 178.00 179.23 1xqq h SER 20 N 0.00 0.00 -4.04 -2.05 0.02 -1.97 -1.58 113.55 103.94 1xqq h SER 20 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1xqq h SER 20 Cb 0.06 0.00 0.10 0.00 0.14 0.00 0.00 62.40 62.70 1xqq h SER 20 CO 0.00 0.00 0.53 -1.81 -1.14 0.00 0.00 176.83 174.41 1xqq s ASP 21 N -5.20 5.64 0.77 3.07 1.01 -0.26 -4.76 116.67 116.93 1xqq s ASP 21 Ca 0.02 2.49 -0.08 0.00 0.71 0.00 0.00 52.55 55.69 1xqq s ASP 21 Cb 0.09 -2.61 0.10 0.00 1.01 0.00 0.00 42.92 41.51 1xqq s ASP 21 CO 0.48 -1.29 1.08 0.42 0.21 0.00 0.00 175.17 176.07 1xqq s THR 22 N -1.47 2.18 0.01 -1.27 -4.23 -1.26 -1.90 115.64 107.70 1xqq s THR 22 Ca 0.69 -0.25 0.13 0.00 -1.18 0.00 0.00 61.69 61.08 1xqq s THR 22 Cb -0.33 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 1xqq s THR 22 CO 0.39 0.00 1.45 0.40 -0.54 0.00 0.00 174.62 176.32 1xqq h ILE 23 N -0.83 1.18 0.07 2.99 1.08 -1.43 -1.56 117.51 119.01 1xqq h ILE 23 Ca -0.43 -2.48 0.02 0.00 -0.39 0.00 0.00 64.86 61.58 1xqq h ILE 23 Cb 1.29 2.46 -0.05 0.00 -3.07 0.00 0.00 36.82 37.45 1xqq h ILE 23 CO 0.53 0.63 -0.52 -0.08 -0.69 0.00 0.00 178.15 178.02 1xqq h GLU 24 N 0.00 -0.68 -0.57 2.37 4.81 -1.57 -1.88 114.58 117.06 1xqq h GLU 24 Ca -0.01 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1xqq h GLU 24 Cb 1.40 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.88 1xqq h GLU 24 CO 0.08 -0.45 0.24 -0.97 -0.73 0.00 0.00 179.01 177.18 1xqq h ASN 25 N -0.71 0.27 0.03 1.04 -0.73 -1.85 0.04 115.58 113.67 1xqq h ASN 25 Ca 0.01 0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.24 1xqq h ASN 25 Cb 0.74 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.35 1xqq h ASN 25 CO -0.32 0.18 -0.02 0.58 -0.37 0.00 0.00 177.43 177.49 1xqq h VAL 26 N 0.44 0.98 -0.57 2.57 2.07 -1.08 -2.27 116.25 118.39 1xqq h VAL 26 Ca 0.27 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.70 1xqq h VAL 26 Cb 0.28 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1xqq h VAL 26 CO -0.25 0.01 0.17 0.11 0.02 0.00 0.00 177.57 177.63 1xqq h LYS 27 N -0.06 0.86 0.00 1.57 1.57 -1.12 -0.97 116.57 118.42 1xqq h LYS 27 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1xqq h LYS 27 Cb 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1xqq h LYS 27 CO 0.01 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 1xqq n ALA 28 N -2.46 1.24 -0.05 3.86 0.00 -0.02 -0.85 120.51 122.24 1xqq n ALA 28 Ca 0.04 0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1xqq n ALA 28 Cb 0.21 -1.25 -0.13 0.00 0.00 0.00 0.00 19.45 18.27 1xqq n ALA 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1xqq h LYS 29 N 0.00 0.04 -0.03 0.00 1.57 -0.81 -2.49 116.57 114.86 1xqq h LYS 29 Ca 0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xqq h LYS 29 Cb 0.11 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xqq h LYS 29 CO 0.00 1.03 0.01 0.82 -0.57 0.00 0.00 179.45 180.74 1xqq h ILE 30 N -0.91 1.01 -0.22 1.86 2.04 -1.45 0.94 117.51 120.78 1xqq h ILE 30 Ca -0.02 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 1xqq h ILE 30 Cb 1.09 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1xqq h ILE 30 CO 0.02 0.02 -0.32 -0.61 0.00 0.00 0.00 178.15 177.25 1xqq h GLN 31 N 0.04 0.61 -0.22 2.37 4.15 -1.08 -0.24 115.11 120.73 1xqq h GLN 31 Ca 0.01 -0.36 0.04 0.00 0.77 0.00 0.00 58.65 59.11 1xqq h GLN 31 Cb 0.02 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 1xqq h GLN 31 CO -0.00 0.97 -0.01 0.22 -1.93 0.00 0.00 178.83 178.07 1xqq h ASP 32 N 0.30 -0.11 0.00 -0.69 3.58 -1.10 -2.93 116.42 115.46 1xqq h ASP 32 Ca 0.02 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.53 1xqq h ASP 32 Cb 0.91 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1xqq h ASP 32 CO 0.07 -0.03 0.00 0.29 -2.88 0.00 0.00 179.24 176.70 1xqq n LYS 33 N -5.16 0.00 -0.16 0.28 5.02 0.29 -4.53 118.16 113.90 1xqq n LYS 33 Ca -0.02 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1xqq n LYS 33 Cb 0.12 -0.77 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1xqq n LYS 33 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1xqq h GLU 34 N 0.00 0.76 -1.40 1.97 4.39 -1.26 -3.48 114.58 115.56 1xqq h GLU 34 Ca 0.00 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1xqq h GLU 34 Cb 0.00 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1xqq h GLU 34 CO 0.00 0.77 0.00 0.41 -1.16 0.00 0.00 179.01 179.03 1xqq n GLY 35 N -0.55 0.37 3.03 -3.84 0.00 -0.89 -5.03 105.19 98.28 1xqq n GLY 35 Ca 0.01 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.47 1.23 0.42 -0.61 1.01 -1.25 -5.02 121.20 114.51 1xqq s ILE 36 Ca 0.00 -0.52 -0.25 0.00 0.00 0.00 0.00 60.65 59.88 1xqq s ILE 36 Cb 0.00 -1.13 -0.08 0.00 0.01 0.00 0.00 42.46 41.26 1xqq s ILE 36 CO 0.00 0.38 1.27 -2.84 0.00 0.00 0.00 174.94 173.75 1xqq s PRO 37 N 0.79 3.91 0.27 2.79 0.02 -1.26 -4.26 135.00 137.25 1xqq s PRO 37 Ca -0.12 2.06 0.23 0.00 0.02 0.00 0.00 61.00 63.19 1xqq s PRO 37 Cb -0.16 -2.67 1.02 0.00 0.02 0.00 0.00 34.50 32.71 1xqq s PRO 37 CO 0.02 -0.51 1.70 -0.35 -0.33 0.00 0.00 177.00 177.53 1xqq n PRO 38 N -0.02 0.18 0.01 5.54 -0.04 -1.26 -1.38 135.00 138.04 1xqq n PRO 38 Ca 0.05 0.47 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 1xqq n PRO 38 Cb 0.45 -1.89 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 1xqq n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xqq n ASP 39 N -2.25 0.35 0.24 3.54 5.75 -1.26 -3.34 116.55 119.58 1xqq n ASP 39 Ca 0.01 0.14 0.12 0.00 -0.01 0.00 0.00 54.79 55.06 1xqq n ASP 39 Cb 0.19 1.18 0.51 0.00 -1.03 0.00 0.00 41.12 41.98 1xqq n ASP 39 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1xqq h GLN 40 N 0.00 0.00 -6.24 0.11 4.20 -1.50 -3.43 115.11 108.25 1xqq h GLN 40 Ca -0.10 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.05 1xqq h GLN 40 Cb 1.27 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.01 1xqq h GLN 40 CO 0.01 0.15 0.62 -0.65 -0.67 0.00 0.00 178.83 178.29 1xqq s GLN 41 N -3.64 4.39 -0.21 1.46 -0.21 -0.81 -2.18 119.66 118.45 1xqq s GLN 41 Ca 0.01 1.43 -0.04 0.00 0.02 0.00 0.00 55.36 56.78 1xqq s GLN 41 Cb 0.10 -3.56 -0.01 0.00 1.00 0.00 0.00 33.01 30.53 1xqq s GLN 41 CO 0.61 -0.38 -0.03 1.03 -2.12 0.00 0.00 175.29 174.40 1xqq s ARG 42 N 2.22 3.46 -0.11 2.91 0.52 -0.89 -4.94 118.95 122.13 1xqq s ARG 42 Ca 0.49 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 55.11 1xqq s ARG 42 Cb -0.19 -3.01 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1xqq s ARG 42 CO 0.17 -0.10 -0.13 -0.51 0.02 0.00 0.00 175.30 174.75 1xqq s LEU 43 N 1.26 2.76 -0.11 2.53 1.43 -1.26 -1.17 118.68 124.11 1xqq s LEU 43 Ca 0.03 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1xqq s LEU 43 Cb -0.14 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.50 1xqq s LEU 43 CO -0.01 0.23 -0.06 -0.63 0.23 0.00 0.00 176.35 176.11 1xqq s ILE 44 N -0.01 0.94 -0.45 -0.59 -1.09 -0.35 -2.60 121.20 117.05 1xqq s ILE 44 Ca -0.03 -0.27 -0.19 0.00 -2.23 0.00 0.00 60.65 57.93 1xqq s ILE 44 Cb -0.14 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.77 1xqq s ILE 44 CO 0.04 0.32 0.57 0.12 -1.23 0.00 0.00 174.94 174.76 1xqq s PHE 45 N 1.74 3.09 0.00 3.97 5.36 -0.43 -0.07 117.98 131.65 1xqq s PHE 45 Ca 0.05 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 1xqq s PHE 45 Cb -0.13 -3.25 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 1xqq s PHE 45 CO -0.08 -0.86 0.00 0.00 -1.46 0.00 0.00 175.22 172.82 1xqq n ALA 46 N 6.03 0.00 -2.63 11.12 0.00 -1.26 0.18 120.51 133.95 1xqq n ALA 46 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xqq n ALA 46 Cb 0.47 0.00 0.05 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 1.53 3.44 0.00 0.00 -1.26 -5.04 105.19 103.86 1xqq n GLY 47 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1xqq n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xqq s LYS 48 N -1.65 3.61 0.12 1.61 1.02 0.13 -5.11 119.74 119.47 1xqq s LYS 48 Ca 0.21 -0.52 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 1xqq s LYS 48 Cb 0.33 -3.11 -0.06 0.00 -0.52 0.00 0.00 37.83 34.46 1xqq s LYS 48 CO -0.08 -0.03 0.89 -1.14 -0.92 0.00 0.00 175.35 174.07 1xqq s GLN 49 N 1.11 4.66 -0.11 1.68 0.74 -1.26 -1.31 119.66 125.17 1xqq s GLN 49 Ca 0.03 1.33 -0.22 0.00 0.05 0.00 0.00 55.36 56.55 1xqq s GLN 49 Cb -0.14 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1xqq s GLN 49 CO 0.02 0.32 0.66 -0.51 -0.55 0.00 0.00 175.29 175.23 1xqq s LEU 50 N -0.33 4.26 0.09 3.68 2.01 -1.07 -4.98 118.68 122.34 1xqq s LEU 50 Ca 0.43 1.05 -0.30 0.00 0.01 0.00 0.00 54.13 55.32 1xqq s LEU 50 Cb -0.23 -3.00 -0.05 0.00 0.01 0.00 0.00 46.19 42.92 1xqq s LEU 50 CO 0.28 -0.16 1.02 -0.70 1.01 0.00 0.00 176.35 177.80 1xqq s GLU 51 N 1.14 4.61 0.25 1.70 2.56 -1.26 -4.80 118.70 122.90 1xqq s GLU 51 Ca 0.34 1.53 -0.04 0.00 0.00 0.00 0.00 54.97 56.80 1xqq s GLU 51 Cb -0.17 -3.37 0.49 0.00 2.00 0.00 0.00 34.13 33.08 1xqq s GLU 51 CO 0.15 0.06 1.69 -0.44 -0.56 0.00 0.00 175.26 176.16 1xqq h ASP 52 N 5.94 0.05 -0.23 -1.70 3.32 -1.97 -2.69 116.42 119.15 1xqq h ASP 52 Ca -0.43 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1xqq h ASP 52 Cb 1.21 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.95 1xqq h ASP 52 CO 0.74 -0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1xqq n GLY 53 N -1.35 0.70 3.97 2.75 0.00 -1.26 -1.56 105.19 108.44 1xqq n GLY 53 Ca 0.15 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.71 2.95 0.31 1.61 0.52 -1.01 -4.92 118.95 116.69 1xqq s ARG 54 Ca 0.34 -0.72 -0.03 0.00 -0.52 0.00 0.00 55.73 54.80 1xqq s ARG 54 Cb 0.19 -2.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.00 1xqq s ARG 54 CO 0.28 -0.29 0.56 0.95 0.02 0.00 0.00 175.30 176.81 1xqq s THR 55 N -2.50 5.04 0.24 0.02 -4.23 -1.26 -2.78 115.64 110.16 1xqq s THR 55 Ca 0.50 -0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.88 1xqq s THR 55 Cb -0.10 -3.77 0.21 0.00 1.34 0.00 0.00 72.50 70.17 1xqq s THR 55 CO 0.36 -0.40 1.71 -0.07 -0.54 0.00 0.00 174.62 175.68 1xqq h LEU 56 N 1.38 0.16 -1.35 4.79 3.38 -1.40 -2.80 115.31 119.49 1xqq h LEU 56 Ca -0.48 0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.68 1xqq h LEU 56 Cb 1.20 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 1xqq h LEU 56 CO 0.65 0.05 0.50 -1.28 0.09 0.00 0.00 178.44 178.45 1xqq h SER 57 N 0.36 0.69 0.14 -0.43 0.87 -1.53 -2.91 113.55 110.74 1xqq h SER 57 Ca 0.39 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.91 1xqq h SER 57 Cb 0.60 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1xqq h SER 57 CO -0.42 0.43 -0.19 -0.78 -0.53 0.00 0.00 176.83 175.34 1xqq h ASP 58 N 0.77 0.10 -0.03 6.23 3.58 -1.79 0.49 116.42 125.78 1xqq h ASP 58 Ca 0.34 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1xqq h ASP 58 Cb 0.31 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xqq h ASP 58 CO -0.12 0.30 0.00 -1.22 -2.88 0.00 0.00 179.24 175.32 1xqq n TYR 59 N -4.26 0.02 -3.29 0.28 4.01 -1.11 -4.92 117.16 107.89 1xqq n TYR 59 Ca -0.02 -0.01 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1xqq n TYR 59 Cb 0.28 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.12 -2.34 -4.54 7.72 4.13 0.16 -5.00 115.26 115.28 1xqq n ASN 60 Ca 0.20 -0.55 -0.42 0.00 1.68 0.00 0.00 54.58 55.49 1xqq n ASN 60 Cb 0.28 -4.61 -0.07 0.00 -1.54 0.00 0.00 39.78 33.85 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 -3.32 4.88 0.00 2.41 -1.09 -1.16 -5.05 121.20 117.87 1xqq s ILE 61 Ca 0.04 0.27 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1xqq s ILE 61 Cb -0.02 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.73 1xqq s ILE 61 CO 0.65 -0.46 0.00 0.00 -1.23 0.00 0.00 174.94 173.90 1xqq n GLN 62 N 6.11 1.15 -2.54 2.79 1.13 -1.26 -4.58 117.38 120.18 1xqq n GLN 62 Ca -0.02 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.78 1xqq n GLN 62 Cb 0.48 0.00 0.03 0.00 0.11 0.00 0.00 30.24 30.86 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 1xqq s LYS 63 N -0.19 2.94 0.00 -1.09 -2.85 -1.26 -4.31 119.74 112.97 1xqq s LYS 63 Ca 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 55.97 54.83 1xqq s LYS 63 Cb 0.00 -2.34 0.00 0.00 -2.06 0.00 0.00 37.83 33.43 1xqq s LYS 63 CO 0.00 -0.60 0.00 0.39 0.10 0.00 0.00 175.35 175.24 1xqq n GLU 64 N -2.46 -0.07 -3.21 1.78 1.02 0.31 -4.96 120.64 113.05 1xqq n GLU 64 Ca 0.04 0.02 -0.39 0.00 -0.02 0.00 0.00 57.16 56.81 1xqq n GLU 64 Cb 0.58 -3.20 -0.06 0.00 -0.02 0.00 0.00 31.44 28.74 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 -2.60 7.14 -0.35 1.62 0.15 -1.26 -4.73 113.70 113.66 1xqq s SER 65 Ca 0.00 1.35 -0.13 0.00 0.70 0.00 0.00 55.95 57.87 1xqq s SER 65 Cb 0.00 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1xqq s SER 65 CO 0.00 0.26 0.24 -0.89 1.20 0.00 0.00 173.24 174.05 1xqq s THR 66 N -1.13 5.17 0.20 6.45 2.01 -1.26 -0.89 115.64 126.19 1xqq s THR 66 Ca 0.31 -0.37 -0.17 0.00 0.31 0.00 0.00 61.69 61.77 1xqq s THR 66 Cb -0.20 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.51 1xqq s THR 66 CO 0.21 -0.08 0.65 -0.76 -0.69 0.00 0.00 174.62 173.95 1xqq s LEU 67 N 1.69 4.33 -0.26 4.42 1.43 -0.77 -4.82 118.68 124.70 1xqq s LEU 67 Ca 0.05 1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 54.28 1xqq s LEU 67 Cb -0.18 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1xqq s LEU 67 CO 0.10 0.05 0.34 -2.28 0.23 0.00 0.00 176.35 174.79 1xqq s HIS 68 N -1.52 3.25 -0.25 0.29 5.65 0.90 -1.03 115.29 122.57 1xqq s HIS 68 Ca 0.41 0.38 -0.16 0.00 0.25 0.00 0.00 55.06 55.94 1xqq s HIS 68 Cb -0.16 -2.53 -0.03 0.00 -1.18 0.00 0.00 32.58 28.68 1xqq s HIS 68 CO 0.20 -0.19 0.44 -1.17 -0.65 0.00 0.00 174.74 173.36 1xqq s LEU 69 N 1.93 4.06 -0.04 8.88 2.96 -0.18 -1.21 118.68 135.07 1xqq s LEU 69 Ca 0.14 0.43 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1xqq s LEU 69 Cb -0.16 -2.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1xqq s LEU 69 CO 0.10 -0.21 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.01 1xqq s VAL 70 N 2.02 2.35 0.15 1.68 1.01 -0.32 -4.24 120.40 123.06 1xqq s VAL 70 Ca 0.18 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1xqq s VAL 70 Cb -0.16 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1xqq s VAL 70 CO 0.09 0.58 0.36 -0.22 0.00 0.00 0.00 175.10 175.91 1xqq s LEU 71 N -0.47 4.26 -0.03 3.92 2.96 -1.26 -2.09 118.68 125.97 1xqq s LEU 71 Ca 0.06 0.50 0.07 0.00 -0.22 0.00 0.00 54.13 54.53 1xqq s LEU 71 Cb -0.11 -3.24 -0.02 0.00 0.50 0.00 0.00 46.19 43.32 1xqq s LEU 71 CO 0.01 0.04 -0.22 0.00 -1.32 0.00 0.00 176.35 174.85 1xqq s ARG 72 N -2.83 2.24 0.89 1.98 1.70 -0.93 -4.94 118.95 117.06 1xqq s ARG 72 Ca 0.40 -0.86 -0.12 0.00 -0.47 0.00 0.00 55.73 54.68 1xqq s ARG 72 Cb -0.12 -2.15 0.13 0.00 -0.57 0.00 0.00 34.95 32.24 1xqq s ARG 72 CO 0.26 0.58 1.11 -0.51 -1.08 0.00 0.00 175.30 175.66 1xqq s LEU 73 N -0.64 2.14 0.32 -1.89 1.43 -1.26 -4.68 118.68 114.10 1xqq s LEU 73 Ca 0.10 1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 54.11 1xqq s LEU 73 Cb -0.10 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 1xqq s LEU 73 CO -0.00 -2.50 0.98 -0.13 0.23 0.00 0.00 176.35 174.93 1xqq s ARG 74 N -5.14 4.54 0.00 1.70 1.81 -1.26 -4.67 118.95 115.93 1xqq s ARG 74 Ca 0.63 1.44 0.00 0.00 -1.72 0.00 0.00 55.73 56.08 1xqq s ARG 74 Cb -0.16 -2.86 0.00 0.00 -0.45 0.00 0.00 34.95 31.49 1xqq s ARG 74 CO 0.55 0.22 0.00 0.41 -0.68 0.00 0.00 175.30 175.80 1xqq n GLY 75 N 0.71 0.38 0.00 -3.53 0.00 -1.26 -5.30 105.19 96.20 1xqq n GLY 75 Ca 0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93