#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 4.66 0.50 3.17 -0.21 -1.26 -1.08 119.66 125.44 1xqq s GLN 2 Ca 0.00 1.28 0.02 0.00 0.02 0.00 0.00 55.36 56.68 1xqq s GLN 2 Cb 0.00 -3.31 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 1xqq s GLN 2 CO 0.00 0.44 0.04 0.96 -2.12 0.00 0.00 175.29 174.61 1xqq s ILE 3 N -0.76 1.30 -0.17 1.08 -4.36 0.65 -0.82 121.20 118.13 1xqq s ILE 3 Ca 0.40 -1.95 -0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1xqq s ILE 3 Cb -0.23 -2.25 0.05 0.00 1.25 0.00 0.00 42.46 41.28 1xqq s ILE 3 CO 0.28 0.00 0.03 -0.36 0.24 0.00 0.00 174.94 175.13 1xqq s PHE 4 N -2.85 0.93 -0.35 1.37 0.08 0.32 -1.79 117.98 115.69 1xqq s PHE 4 Ca 0.12 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.29 1xqq s PHE 4 Cb 0.02 -0.97 -0.01 0.00 -0.57 0.00 0.00 43.02 41.49 1xqq s PHE 4 CO 0.06 -0.55 0.46 0.08 -0.10 0.00 0.00 175.22 175.17 1xqq s VAL 5 N 1.89 5.07 -0.07 -0.44 1.01 0.15 -0.32 120.40 127.68 1xqq s VAL 5 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1xqq s VAL 5 Cb -0.16 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 1xqq s VAL 5 CO -0.07 -0.17 -0.00 -0.75 0.00 0.00 0.00 175.10 174.10 1xqq s LYS 6 N 2.25 2.94 0.47 2.72 2.20 0.76 -0.81 119.74 130.27 1xqq s LYS 6 Ca 0.16 -0.44 0.08 0.00 -0.36 0.00 0.00 55.97 55.41 1xqq s LYS 6 Cb -0.16 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1xqq s LYS 6 CO 0.13 0.69 0.57 0.95 -0.36 0.00 0.00 175.35 177.33 1xqq s THR 7 N -0.90 2.63 0.12 3.43 -4.23 -1.19 -0.14 115.64 115.35 1xqq s THR 7 Ca 0.14 -1.10 -0.18 0.00 -1.18 0.00 0.00 61.69 59.36 1xqq s THR 7 Cb -0.11 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1xqq s THR 7 CO 0.03 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.07 1xqq h LEU 8 N 0.61 0.37 -1.23 4.79 5.85 -1.94 -2.59 115.31 121.17 1xqq h LEU 8 Ca -0.38 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 1xqq h LEU 8 Cb 1.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1xqq h LEU 8 CO 0.47 0.36 -0.32 0.71 -0.34 0.00 0.00 178.44 179.33 1xqq h THR 9 N 0.34 0.92 -0.54 1.05 1.35 -1.95 -3.48 112.91 110.60 1xqq h THR 9 Ca 0.10 -1.25 0.00 0.00 -0.55 0.00 0.00 66.41 64.71 1xqq h THR 9 Cb 0.08 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1xqq h THR 9 CO -0.01 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.18 1xqq n GLY 10 N -0.15 0.84 3.98 5.82 0.00 -0.98 -5.13 105.19 109.58 1xqq n GLY 10 Ca -0.01 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.18 2.45 -0.04 1.61 -2.85 -1.26 -4.93 119.74 112.54 1xqq s LYS 11 Ca 0.00 -1.61 0.03 0.00 -1.00 0.00 0.00 55.97 53.39 1xqq s LYS 11 Cb 0.00 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 1xqq s LYS 11 CO 0.00 -0.57 -0.14 0.99 0.10 0.00 0.00 175.35 175.74 1xqq s THR 12 N -2.58 1.17 -0.23 3.79 2.01 -1.26 -3.19 115.64 115.34 1xqq s THR 12 Ca 0.53 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 1xqq s THR 12 Cb -0.06 -1.03 0.01 0.00 0.01 0.00 0.00 72.50 71.44 1xqq s THR 12 CO 0.32 0.35 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.90 1xqq s ILE 13 N 0.24 2.96 -0.51 1.82 1.01 0.01 -4.95 121.20 121.78 1xqq s ILE 13 Ca -0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.51 1xqq s ILE 13 Cb -0.12 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.97 1xqq s ILE 13 CO 0.02 0.31 0.95 -0.89 0.00 0.00 0.00 174.94 175.33 1xqq s THR 14 N 1.38 4.40 -0.14 2.92 2.01 -1.26 0.32 115.64 125.27 1xqq s THR 14 Ca 0.03 0.54 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 1xqq s THR 14 Cb -0.15 -4.50 -0.04 0.00 0.01 0.00 0.00 72.50 67.81 1xqq s THR 14 CO -0.05 -1.00 0.08 -0.76 -0.69 0.00 0.00 174.62 172.21 1xqq s LEU 15 N 3.92 4.02 -0.20 4.42 1.43 -0.74 -4.98 118.68 126.55 1xqq s LEU 15 Ca 0.34 0.26 -0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1xqq s LEU 15 Cb -0.11 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1xqq s LEU 15 CO 0.23 0.31 0.15 -0.70 0.23 0.00 0.00 176.35 176.56 1xqq s GLU 16 N -0.43 4.18 0.11 1.70 2.12 -1.26 -0.25 118.70 124.86 1xqq s GLU 16 Ca 0.10 -0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.10 1xqq s GLU 16 Cb -0.12 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.86 1xqq s GLU 16 CO 0.02 0.26 0.32 0.14 -0.54 0.00 0.00 175.26 175.46 1xqq s VAL 17 N 0.46 0.10 0.25 3.70 -7.23 -0.24 -5.00 120.40 112.44 1xqq s VAL 17 Ca 0.09 -0.79 0.07 0.00 -1.81 0.00 0.00 61.98 59.54 1xqq s VAL 17 Cb -0.11 -1.21 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1xqq s VAL 17 CO -0.01 -0.44 0.16 -1.61 -0.31 0.00 0.00 175.10 172.89 1xqq s GLU 18 N -3.73 2.81 0.00 4.82 0.41 -1.26 -0.50 118.70 121.25 1xqq s GLU 18 Ca 0.03 -1.10 0.19 0.00 -0.41 0.00 0.00 54.97 53.68 1xqq s GLU 18 Cb 0.03 -2.50 0.93 0.00 -1.78 0.00 0.00 34.13 30.81 1xqq s GLU 18 CO -0.11 0.40 1.59 -2.30 -0.49 0.00 0.00 175.26 174.35 1xqq n PRO 19 N -1.07 0.22 0.19 0.39 -0.02 -1.26 -1.83 135.00 131.62 1xqq n PRO 19 Ca -0.08 0.12 0.06 0.00 -2.02 0.00 0.00 63.50 61.58 1xqq n PRO 19 Cb 0.58 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.88 1xqq n PRO 19 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xqq h SER 20 N 0.00 0.00 -4.25 2.55 4.64 -1.99 -3.04 113.55 111.46 1xqq h SER 20 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1xqq h SER 20 Cb 0.21 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.45 1xqq h SER 20 CO 0.00 0.38 0.31 -1.81 -0.87 0.00 0.00 176.83 174.84 1xqq s ASP 21 N -6.43 3.99 0.38 4.97 1.01 -0.76 -4.79 116.67 115.03 1xqq s ASP 21 Ca 0.00 2.11 0.07 0.00 0.71 0.00 0.00 52.55 55.44 1xqq s ASP 21 Cb 0.11 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 1xqq s ASP 21 CO 0.69 -2.39 0.48 0.42 0.21 0.00 0.00 175.17 174.58 1xqq s THR 22 N -2.50 3.44 0.30 -1.27 -4.23 -1.26 -1.48 115.64 108.65 1xqq s THR 22 Ca 0.67 -1.07 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 1xqq s THR 22 Cb -0.23 -3.18 0.14 0.00 1.34 0.00 0.00 72.50 70.57 1xqq s THR 22 CO 0.52 -0.08 1.82 0.40 -0.54 0.00 0.00 174.62 176.74 1xqq h ILE 23 N 0.84 1.22 -0.80 2.99 1.08 -1.20 -1.84 117.51 119.80 1xqq h ILE 23 Ca -0.43 -0.90 0.17 0.00 -0.39 0.00 0.00 64.86 63.32 1xqq h ILE 23 Cb 1.27 0.94 -0.15 0.00 -3.07 0.00 0.00 36.82 35.81 1xqq h ILE 23 CO 0.51 0.31 -0.10 -0.08 -0.69 0.00 0.00 178.15 178.09 1xqq h GLU 24 N 0.59 0.04 -0.77 2.37 4.81 -0.90 0.27 114.58 120.98 1xqq h GLU 24 Ca 0.12 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1xqq h GLU 24 Cb 0.40 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 1xqq h GLU 24 CO 0.02 0.02 0.34 -0.91 -0.73 0.00 0.00 179.01 177.75 1xqq h ASN 25 N 0.04 1.04 0.50 1.04 -0.26 -1.73 0.43 115.58 116.64 1xqq h ASN 25 Ca 0.41 -0.15 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 1xqq h ASN 25 Cb 0.70 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1xqq h ASN 25 CO -0.77 0.90 -0.50 0.58 -1.06 0.00 0.00 177.43 176.58 1xqq h VAL 26 N 1.10 0.02 0.00 2.81 2.07 -0.50 -1.26 116.25 120.50 1xqq h VAL 26 Ca 0.26 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 1xqq h VAL 26 Cb 0.16 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1xqq h VAL 26 CO -0.03 0.00 -0.07 0.11 0.02 0.00 0.00 177.57 177.61 1xqq h LYS 27 N -1.01 0.00 -0.02 1.57 1.57 -0.36 -2.59 116.57 115.74 1xqq h LYS 27 Ca -0.06 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.54 1xqq h LYS 27 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1xqq h LYS 27 CO -0.06 0.07 -0.77 0.00 -0.57 0.00 0.00 179.45 178.12 1xqq h ALA 28 N 1.93 0.66 0.00 3.86 0.00 -0.44 -0.74 119.26 124.53 1xqq h ALA 28 Ca -0.00 -0.65 -0.07 0.00 0.00 0.00 0.00 54.91 54.18 1xqq h ALA 28 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xqq h ALA 28 CO 0.01 0.85 -0.33 0.87 0.00 0.00 0.00 179.25 180.64 1xqq h LYS 29 N 0.12 0.00 -0.27 0.00 1.57 -0.91 -0.64 116.57 116.44 1xqq h LYS 29 Ca -0.03 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1xqq h LYS 29 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1xqq h LYS 29 CO 0.12 0.33 -0.48 0.82 -0.57 0.00 0.00 179.45 179.67 1xqq h ILE 30 N 0.00 1.29 -0.31 1.86 1.08 -1.44 -1.56 117.51 118.43 1xqq h ILE 30 Ca -0.00 -1.67 -0.08 0.00 -0.39 0.00 0.00 64.86 62.72 1xqq h ILE 30 Cb 0.76 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 1xqq h ILE 30 CO 0.04 0.54 -0.11 -0.61 -0.69 0.00 0.00 178.15 177.32 1xqq h GLN 31 N 0.58 0.63 0.00 2.37 -0.00 0.24 -1.61 115.11 117.31 1xqq h GLN 31 Ca 0.03 -0.26 0.00 0.00 -0.00 0.00 0.00 58.65 58.42 1xqq h GLN 31 Cb 1.04 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 28.49 1xqq h GLN 31 CO 0.10 0.83 -0.05 0.22 0.00 0.00 0.00 178.83 179.93 1xqq h ASP 32 N 0.40 -0.15 0.12 -0.69 3.58 -1.25 -3.08 116.42 115.35 1xqq h ASP 32 Ca 0.07 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1xqq h ASP 32 Cb 0.62 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1xqq h ASP 32 CO 0.04 -0.05 -0.06 0.50 -2.88 0.00 0.00 179.24 176.79 1xqq h LYS 33 N -0.06 -0.16 0.00 0.28 3.64 -1.28 -3.40 116.57 115.59 1xqq h LYS 33 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xqq h LYS 33 Cb 0.07 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xqq h LYS 33 CO -0.03 0.27 -0.10 0.93 -2.27 0.00 0.00 179.45 178.25 1xqq h GLU 34 N -0.65 0.00 0.00 1.90 4.39 -1.49 -3.50 114.58 115.24 1xqq h GLU 34 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1xqq h GLU 34 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1xqq h GLU 34 CO 0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.29 1xqq n GLY 35 N 1.81 0.41 3.74 -3.84 0.00 -1.16 -5.05 105.19 101.10 1xqq n GLY 35 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.60 5.33 0.66 -0.61 1.01 -1.26 -5.03 121.20 120.72 1xqq s ILE 36 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.94 1xqq s ILE 36 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.90 1xqq s ILE 36 CO 0.00 0.43 1.12 -2.84 0.00 0.00 0.00 174.94 173.65 1xqq s PRO 37 N 0.27 2.73 0.36 2.79 0.02 -1.26 -4.26 135.00 135.65 1xqq s PRO 37 Ca 0.14 1.44 0.25 0.00 0.02 0.00 0.00 61.00 62.86 1xqq s PRO 37 Cb -0.13 -1.94 0.69 0.00 0.02 0.00 0.00 34.50 33.14 1xqq s PRO 37 CO 0.03 -1.31 1.72 -1.00 -0.33 0.00 0.00 177.00 176.11 1xqq h PRO 38 N 0.02 0.00 0.00 5.54 0.13 -1.94 -2.81 132.00 132.94 1xqq h PRO 38 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xqq h PRO 38 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1xqq h PRO 38 CO 0.54 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.69 1xqq h ASP 39 N 0.00 0.00 0.50 1.44 2.03 -1.91 -3.07 116.42 115.41 1xqq h ASP 39 Ca 0.00 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.01 1xqq h ASP 39 Cb 0.79 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.26 1xqq h ASP 39 CO 0.00 0.00 -1.60 -0.61 -1.03 0.00 0.00 179.24 176.00 1xqq h GLN 40 N 0.00 0.11 -6.81 4.15 4.15 -1.76 -3.01 115.11 111.94 1xqq h GLN 40 Ca 0.00 -0.19 -0.51 0.00 0.77 0.00 0.00 58.65 58.71 1xqq h GLN 40 Cb 0.75 0.07 0.04 0.00 0.21 0.00 0.00 27.48 28.55 1xqq h GLN 40 CO 0.00 0.86 0.56 -0.65 -1.93 0.00 0.00 178.83 177.66 1xqq s GLN 41 N -2.61 4.50 -0.05 1.69 -0.21 -1.16 -0.69 119.66 121.13 1xqq s GLN 41 Ca -0.08 1.98 0.02 0.00 0.02 0.00 0.00 55.36 57.31 1xqq s GLN 41 Cb 0.08 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.95 1xqq s GLN 41 CO 0.82 -0.00 -0.09 0.50 -2.12 0.00 0.00 175.29 174.40 1xqq s ARG 42 N -1.34 1.18 -0.19 2.91 3.52 0.11 -4.84 118.95 120.31 1xqq s ARG 42 Ca 0.48 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.76 1xqq s ARG 42 Cb -0.35 -1.06 -0.02 0.00 -1.56 0.00 0.00 34.95 31.95 1xqq s ARG 42 CO 0.45 0.02 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.42 1xqq s LEU 43 N 0.60 3.18 -0.26 -0.88 1.43 -1.26 -0.61 118.68 120.88 1xqq s LEU 43 Ca -0.10 -0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.78 1xqq s LEU 43 Cb -0.13 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.34 1xqq s LEU 43 CO 0.02 0.09 -0.06 -0.63 0.23 0.00 0.00 176.35 175.99 1xqq s ILE 44 N 0.83 2.70 -0.31 -0.59 -1.09 0.99 -2.34 121.20 121.38 1xqq s ILE 44 Ca -0.00 -1.28 -0.11 0.00 -2.23 0.00 0.00 60.65 57.03 1xqq s ILE 44 Cb -0.14 -2.46 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 1xqq s ILE 44 CO 0.02 0.07 0.19 0.12 -1.23 0.00 0.00 174.94 174.11 1xqq s PHE 45 N 1.25 3.20 0.00 3.97 5.36 -1.01 -1.45 117.98 129.30 1xqq s PHE 45 Ca -0.03 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1xqq s PHE 45 Cb -0.18 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.10 1xqq s PHE 45 CO -0.04 -0.37 0.00 0.00 -1.46 0.00 0.00 175.22 173.35 1xqq n ALA 46 N 5.04 0.00 -1.78 11.12 0.00 -1.26 -1.46 120.51 132.18 1xqq n ALA 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xqq n ALA 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 3.72 0.00 0.00 -1.26 -5.10 105.19 102.49 1xqq n GLY 47 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.02 -0.16 1.61 1.02 -0.53 -5.08 119.74 120.63 1xqq s LYS 48 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.45 1xqq s LYS 48 Cb 0.00 -3.33 -0.01 0.00 -0.52 0.00 0.00 37.83 33.97 1xqq s LYS 48 CO 0.00 0.36 1.22 -0.65 -0.92 0.00 0.00 175.35 175.36 1xqq s GLN 49 N 0.17 4.26 -0.23 1.68 -0.21 -1.26 -2.39 119.66 121.66 1xqq s GLN 49 Ca 0.08 1.62 -0.20 0.00 0.02 0.00 0.00 55.36 56.87 1xqq s GLN 49 Cb -0.11 -3.72 -0.02 0.00 1.00 0.00 0.00 33.01 30.16 1xqq s GLN 49 CO -0.01 -0.66 0.63 -0.51 -2.12 0.00 0.00 175.29 172.62 1xqq s LEU 50 N 3.26 4.09 0.29 2.90 1.43 -0.99 -5.03 118.68 124.63 1xqq s LEU 50 Ca 0.53 0.75 -0.26 0.00 -1.03 0.00 0.00 54.13 54.13 1xqq s LEU 50 Cb -0.21 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.05 1xqq s LEU 50 CO 0.15 -0.33 0.91 -1.61 0.23 0.00 0.00 176.35 175.69 1xqq s GLU 51 N 2.28 4.58 0.18 1.70 2.02 -1.26 -4.71 118.70 123.49 1xqq s GLU 51 Ca 0.27 1.28 -0.11 0.00 0.02 0.00 0.00 54.97 56.43 1xqq s GLU 51 Cb -0.16 -2.90 0.10 0.00 0.10 0.00 0.00 34.13 31.27 1xqq s GLU 51 CO 0.09 0.34 1.76 -0.44 0.02 0.00 0.00 175.26 177.03 1xqq h ASP 52 N 3.40 0.87 0.76 -0.19 5.19 -1.97 -3.09 116.42 121.39 1xqq h ASP 52 Ca -0.47 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 1xqq h ASP 52 Cb 1.19 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1xqq h ASP 52 CO 0.65 0.78 0.00 0.61 -3.12 0.00 0.00 179.24 178.17 1xqq n GLY 53 N -0.90 -1.37 3.91 2.75 0.00 -1.26 -0.29 105.19 108.03 1xqq n GLY 53 Ca 0.05 -0.12 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.77 3.29 0.46 1.61 0.52 -1.17 -4.95 118.95 115.94 1xqq s ARG 54 Ca 0.22 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 1xqq s ARG 54 Cb 0.19 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.81 1xqq s ARG 54 CO 0.49 0.50 0.66 0.95 0.02 0.00 0.00 175.30 177.92 1xqq s THR 55 N -1.79 3.45 0.09 0.02 -4.23 -1.26 -1.38 115.64 110.54 1xqq s THR 55 Ca 0.34 -0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.84 1xqq s THR 55 Cb -0.10 -3.25 -0.15 0.00 1.34 0.00 0.00 72.50 70.33 1xqq s THR 55 CO 0.27 -0.16 1.62 -0.07 -0.54 0.00 0.00 174.62 175.75 1xqq h LEU 56 N 0.39 -0.85 -0.98 4.79 3.38 -1.40 -2.61 115.31 118.04 1xqq h LEU 56 Ca -0.44 0.06 0.37 0.00 0.09 0.00 0.00 57.88 57.96 1xqq h LEU 56 Cb 1.27 0.26 -0.13 0.00 0.09 0.00 0.00 40.66 42.16 1xqq h LEU 56 CO 0.53 -0.50 0.59 -0.24 0.09 0.00 0.00 178.44 178.92 1xqq n SER 57 N -5.46 0.22 -0.04 -0.43 2.88 -1.15 -0.56 113.62 109.09 1xqq n SER 57 Ca -0.11 1.23 -0.14 0.00 -1.33 0.00 0.00 58.87 58.51 1xqq n SER 57 Cb 0.35 -0.60 -0.09 0.00 -0.75 0.00 0.00 64.21 63.12 1xqq n SER 57 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1xqq h ASP 58 N 0.00 0.33 0.14 -3.46 3.32 -1.79 -2.76 116.42 112.20 1xqq h ASP 58 Ca 0.70 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1xqq h ASP 58 Cb 2.08 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 41.54 1xqq h ASP 58 CO -0.49 0.87 0.00 -1.22 -1.72 0.00 0.00 179.24 176.68 1xqq n TYR 59 N -4.52 0.00 -2.09 4.55 4.01 -1.16 -4.89 117.16 113.06 1xqq n TYR 59 Ca -0.08 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.50 1xqq n TYR 59 Cb 0.43 -0.17 -0.02 0.00 -0.31 0.00 0.00 39.34 39.27 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 -1.17 -4.83 -4.61 7.72 5.03 -0.95 -4.95 115.26 111.50 1xqq n ASN 60 Ca 0.07 0.09 -0.42 0.00 0.87 0.00 0.00 54.58 55.19 1xqq n ASN 60 Cb 0.08 -3.90 -0.04 0.00 -1.02 0.00 0.00 39.78 34.89 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 -2.75 4.71 0.00 2.41 1.01 0.28 -4.93 121.20 121.92 1xqq s ILE 61 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.89 1xqq s ILE 61 Cb 0.00 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1xqq s ILE 61 CO 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 174.94 174.59 1xqq n GLN 62 N 6.42 1.80 -2.61 2.79 6.02 -1.26 -4.33 117.38 126.20 1xqq n GLN 62 Ca 0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.71 1xqq n GLN 62 Cb 0.48 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.70 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1xqq s LYS 63 N 0.18 3.91 -1.42 -1.09 -2.85 -1.26 -3.27 119.74 113.94 1xqq s LYS 63 Ca 0.00 1.29 -0.07 0.00 -1.00 0.00 0.00 55.97 56.19 1xqq s LYS 63 Cb 0.00 -2.12 0.04 0.00 -2.06 0.00 0.00 37.83 33.69 1xqq s LYS 63 CO 0.00 -0.33 0.58 0.39 0.10 0.00 0.00 175.35 176.09 1xqq n GLU 64 N -0.90 -4.30 -3.08 1.78 1.02 0.00 -4.95 120.64 110.22 1xqq n GLU 64 Ca 0.09 0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 57.52 1xqq n GLU 64 Cb 0.53 -5.48 -0.05 0.00 -0.02 0.00 0.00 31.44 26.41 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 -2.75 7.08 -0.29 1.62 0.01 -1.20 -4.81 113.70 113.35 1xqq s SER 65 Ca 0.37 1.29 -0.16 0.00 1.31 0.00 0.00 55.95 58.76 1xqq s SER 65 Cb -0.18 -2.42 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1xqq s SER 65 CO 0.46 0.03 0.40 -0.89 0.41 0.00 0.00 173.24 173.65 1xqq s THR 66 N 0.03 5.14 0.00 1.44 2.01 -1.26 -0.52 115.64 122.48 1xqq s THR 66 Ca 0.35 0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.84 1xqq s THR 66 Cb -0.19 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1xqq s THR 66 CO 0.20 0.05 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.39 1xqq s LEU 67 N 2.13 3.35 -0.14 4.42 1.02 0.56 -4.72 118.68 125.30 1xqq s LEU 67 Ca 0.15 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.24 1xqq s LEU 67 Cb -0.16 -1.92 -0.00 0.00 0.02 0.00 0.00 46.19 44.13 1xqq s LEU 67 CO 0.11 0.28 -0.18 -1.00 0.02 0.00 0.00 176.35 175.58 1xqq s HIS 68 N -1.05 2.72 -0.28 0.29 3.76 -0.52 -0.17 115.29 120.04 1xqq s HIS 68 Ca 0.18 -1.04 -0.11 0.00 -0.15 0.00 0.00 55.06 53.94 1xqq s HIS 68 Cb -0.11 -1.84 -0.05 0.00 1.11 0.00 0.00 32.58 31.69 1xqq s HIS 68 CO 0.09 -0.45 0.19 -1.17 -0.85 0.00 0.00 174.74 172.55 1xqq s LEU 69 N 0.66 4.03 0.26 0.89 2.96 0.81 -0.01 118.68 128.28 1xqq s LEU 69 Ca -0.09 -0.03 0.11 0.00 -0.22 0.00 0.00 54.13 53.90 1xqq s LEU 69 Cb -0.16 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 1xqq s LEU 69 CO 0.02 -0.06 -0.15 0.68 -1.32 0.00 0.00 176.35 175.52 1xqq s VAL 70 N 1.76 2.74 -0.39 1.68 -7.23 0.22 -3.80 120.40 115.38 1xqq s VAL 70 Ca 0.07 -2.21 -0.20 0.00 -1.81 0.00 0.00 61.98 57.83 1xqq s VAL 70 Cb -0.16 -2.43 0.01 0.00 0.56 0.00 0.00 36.38 34.36 1xqq s VAL 70 CO 0.11 -0.35 0.59 -0.76 -0.31 0.00 0.00 175.10 174.38 1xqq s LEU 71 N -3.43 4.41 0.00 1.32 1.43 -1.26 -0.71 118.68 120.43 1xqq s LEU 71 Ca 0.29 -0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.36 1xqq s LEU 71 Cb -0.06 -2.68 0.10 0.00 0.03 0.00 0.00 46.19 43.58 1xqq s LEU 71 CO 0.16 -0.63 0.82 -2.11 0.23 0.00 0.00 176.35 174.81 1xqq n ARG 72 N 6.01 0.59 -1.56 1.70 1.85 0.13 -4.96 116.66 120.42 1xqq n ARG 72 Ca -0.03 -3.16 -0.31 0.00 -1.00 0.00 0.00 57.85 53.35 1xqq n ARG 72 Cb 0.48 -0.25 0.05 0.00 -1.05 0.00 0.00 32.46 31.70 1xqq n ARG 72 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1xqq s LEU 73 N 0.00 3.14 -0.17 2.89 1.43 -1.26 -4.77 118.68 119.94 1xqq s LEU 73 Ca 0.62 1.65 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 1xqq s LEU 73 Cb -0.05 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.67 1xqq s LEU 73 CO 0.39 -1.49 1.00 -0.13 0.23 0.00 0.00 176.35 176.36 1xqq s ARG 74 N -4.98 4.33 -0.27 1.70 0.52 -1.26 -4.65 118.95 114.35 1xqq s ARG 74 Ca 0.59 1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 56.85 1xqq s ARG 74 Cb -0.14 -3.59 0.18 0.00 0.52 0.00 0.00 34.95 31.91 1xqq s ARG 74 CO 0.54 -0.46 1.30 0.20 0.02 0.00 0.00 175.30 176.90 1xqq s GLY 75 N 1.15 0.08 0.00 -3.53 0.00 -1.14 -5.02 107.32 98.87 1xqq s GLY 75 Ca 0.45 2.86 0.00 0.00 0.00 0.00 0.00 44.72 48.03 1xqq s GLY 75 CO 0.12 1.34 0.00 0.61 0.00 0.00 0.00 173.10 175.17