#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 4.11 -0.14 3.17 -0.21 -1.26 -1.26 119.66 124.06 1xqq s GLN 2 Ca 0.00 2.09 -0.02 0.00 0.02 0.00 0.00 55.36 57.45 1xqq s GLN 2 Cb 0.00 -3.99 -0.02 0.00 1.00 0.00 0.00 33.01 30.00 1xqq s GLN 2 CO 0.00 -0.93 -0.08 0.96 -2.12 0.00 0.00 175.29 173.12 1xqq s ILE 3 N 4.26 3.52 -0.23 1.08 -4.36 -0.66 -1.28 121.20 123.52 1xqq s ILE 3 Ca 0.73 -0.49 -0.19 0.00 -0.26 0.00 0.00 60.65 60.43 1xqq s ILE 3 Cb -0.32 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 40.85 1xqq s ILE 3 CO 0.29 0.51 0.56 -0.36 0.24 0.00 0.00 174.94 176.18 1xqq s PHE 4 N 0.34 3.31 -0.31 1.37 0.08 -0.54 0.39 117.98 122.62 1xqq s PHE 4 Ca -0.07 0.76 0.00 0.00 0.12 0.00 0.00 56.93 57.74 1xqq s PHE 4 Cb -0.15 -2.75 0.07 0.00 -0.57 0.00 0.00 43.02 39.62 1xqq s PHE 4 CO 0.04 -0.23 0.01 0.08 -0.10 0.00 0.00 175.22 175.03 1xqq s VAL 5 N 2.11 2.70 -0.41 -0.44 1.01 0.88 -0.91 120.40 125.34 1xqq s VAL 5 Ca 0.24 -1.73 -0.25 0.00 0.00 0.00 0.00 61.98 60.24 1xqq s VAL 5 Cb -0.16 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.56 1xqq s VAL 5 CO 0.09 -0.27 0.91 -0.75 0.00 0.00 0.00 175.10 175.08 1xqq s LYS 6 N 1.13 3.69 0.14 2.72 2.20 -0.44 -0.81 119.74 128.38 1xqq s LYS 6 Ca -0.01 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 1xqq s LYS 6 Cb -0.20 -3.86 -0.07 0.00 -1.51 0.00 0.00 37.83 32.19 1xqq s LYS 6 CO -0.04 -1.06 1.06 0.99 -0.36 0.00 0.00 175.35 175.95 1xqq s THR 7 N 3.55 4.09 -0.04 3.43 2.01 -0.95 -0.36 115.64 127.37 1xqq s THR 7 Ca 0.37 1.75 -0.25 0.00 0.31 0.00 0.00 61.69 63.86 1xqq s THR 7 Cb -0.11 -4.12 -0.21 0.00 0.01 0.00 0.00 72.50 68.07 1xqq s THR 7 CO 0.22 0.27 1.14 -0.07 -0.69 0.00 0.00 174.62 175.49 1xqq h LEU 8 N 5.41 0.12 -8.13 4.42 3.38 -1.89 -3.24 115.31 115.38 1xqq h LEU 8 Ca -0.44 -0.64 -0.70 0.00 0.09 0.00 0.00 57.88 56.20 1xqq h LEU 8 Cb 1.21 -0.03 -0.19 0.00 0.09 0.00 0.00 40.66 41.74 1xqq h LEU 8 CO 0.73 0.74 0.26 -0.89 0.09 0.00 0.00 178.44 179.37 1xqq s THR 9 N -3.65 4.78 0.00 0.22 2.01 -1.26 -4.79 115.64 112.95 1xqq s THR 9 Ca -0.16 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.78 1xqq s THR 9 Cb 0.01 -4.55 0.00 0.00 0.01 0.00 0.00 72.50 67.97 1xqq s THR 9 CO 0.71 -1.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.03 1xqq n GLY 10 N 5.23 0.07 3.75 4.40 0.00 -1.24 -5.12 105.19 112.28 1xqq n GLY 10 Ca -0.03 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 1.72 -0.62 1.61 -2.85 -1.22 -4.91 119.74 113.46 1xqq s LYS 11 Ca 0.00 -1.12 -0.28 0.00 -1.00 0.00 0.00 55.97 53.58 1xqq s LYS 11 Cb 0.00 0.56 0.03 0.00 -2.06 0.00 0.00 37.83 36.36 1xqq s LYS 11 CO 0.00 -0.76 1.22 0.99 0.10 0.00 0.00 175.35 176.90 1xqq s THR 12 N -3.89 3.94 0.53 3.79 2.01 -1.26 -2.23 115.64 118.53 1xqq s THR 12 Ca 0.16 0.78 -0.02 0.00 0.31 0.00 0.00 61.69 62.92 1xqq s THR 12 Cb -0.04 -4.77 0.01 0.00 0.01 0.00 0.00 72.50 67.71 1xqq s THR 12 CO 0.08 -1.47 0.78 0.27 -0.69 0.00 0.00 174.62 173.59 1xqq s ILE 13 N 5.16 3.61 -0.14 1.82 -4.36 0.01 -4.91 121.20 122.39 1xqq s ILE 13 Ca 0.41 -0.33 0.02 0.00 -0.26 0.00 0.00 60.65 60.49 1xqq s ILE 13 Cb -0.08 -3.38 0.01 0.00 1.25 0.00 0.00 42.46 40.26 1xqq s ILE 13 CO 0.23 -0.32 -0.20 -0.89 0.24 0.00 0.00 174.94 174.00 1xqq s THR 14 N -2.77 2.28 -0.14 8.37 2.01 -1.26 -0.08 115.64 124.05 1xqq s THR 14 Ca 0.52 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.62 1xqq s THR 14 Cb -0.10 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1xqq s THR 14 CO 0.41 0.54 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.96 1xqq s LEU 15 N 0.80 2.49 -0.79 4.42 1.43 0.16 -4.97 118.68 122.23 1xqq s LEU 15 Ca -0.07 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.39 1xqq s LEU 15 Cb -0.15 -1.56 0.10 0.00 0.03 0.00 0.00 46.19 44.61 1xqq s LEU 15 CO -0.01 0.12 1.01 -1.61 0.23 0.00 0.00 176.35 176.09 1xqq s GLU 16 N 0.63 3.34 0.26 1.70 2.02 -1.26 -1.66 118.70 123.73 1xqq s GLU 16 Ca -0.09 -1.35 0.07 0.00 0.02 0.00 0.00 54.97 53.62 1xqq s GLU 16 Cb -0.16 -4.57 -0.03 0.00 0.10 0.00 0.00 34.13 29.46 1xqq s GLU 16 CO 0.03 -1.76 0.21 0.14 0.02 0.00 0.00 175.26 173.89 1xqq s VAL 17 N 3.22 4.32 0.05 2.63 -7.23 -0.39 -4.79 120.40 118.21 1xqq s VAL 17 Ca 0.26 -1.40 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1xqq s VAL 17 Cb -0.12 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.40 1xqq s VAL 17 CO -0.00 -0.33 0.27 -1.61 -0.31 0.00 0.00 175.10 173.13 1xqq s GLU 18 N -3.86 3.54 0.21 4.82 2.02 -1.26 -0.21 118.70 123.96 1xqq s GLU 18 Ca 0.34 -0.19 0.16 0.00 0.02 0.00 0.00 54.97 55.30 1xqq s GLU 18 Cb -0.08 -3.01 0.81 0.00 0.10 0.00 0.00 34.13 31.95 1xqq s GLU 18 CO 0.25 0.60 1.49 -0.35 0.02 0.00 0.00 175.26 177.26 1xqq n PRO 19 N 0.64 0.10 0.00 0.39 -0.04 -1.26 -3.57 135.00 131.26 1xqq n PRO 19 Ca -0.07 0.54 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 1xqq n PRO 19 Cb 0.52 -1.80 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 1xqq n PRO 19 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xqq n SER 20 N -2.01 1.40 -4.66 3.54 7.64 -1.26 -1.21 113.62 117.07 1xqq n SER 20 Ca -0.00 -1.20 -0.29 0.00 1.01 0.00 0.00 58.87 58.39 1xqq n SER 20 Cb 0.07 0.79 0.12 0.00 -1.01 0.00 0.00 64.21 64.17 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 -2.79 4.09 0.42 6.43 1.01 -1.23 -4.68 116.67 119.91 1xqq s ASP 21 Ca 0.12 0.58 -0.01 0.00 0.71 0.00 0.00 52.55 53.95 1xqq s ASP 21 Cb 0.17 -0.94 -0.02 0.00 1.01 0.00 0.00 42.92 43.14 1xqq s ASP 21 CO 0.75 -2.14 0.66 0.42 0.21 0.00 0.00 175.17 175.07 1xqq s THR 22 N -3.65 4.60 0.40 -1.27 -4.23 -1.26 -1.20 115.64 109.03 1xqq s THR 22 Ca 0.66 -0.32 0.13 0.00 -1.18 0.00 0.00 61.69 60.98 1xqq s THR 22 Cb -0.09 -3.71 0.13 0.00 1.34 0.00 0.00 72.50 70.18 1xqq s THR 22 CO 0.50 -0.53 1.90 0.40 -0.54 0.00 0.00 174.62 176.35 1xqq h ILE 23 N 0.47 1.20 0.00 2.99 1.08 -1.25 -1.25 117.51 120.75 1xqq h ILE 23 Ca -0.48 -0.97 -0.03 0.00 -0.39 0.00 0.00 64.86 63.00 1xqq h ILE 23 Cb 1.23 1.51 -0.00 0.00 -3.07 0.00 0.00 36.82 36.49 1xqq h ILE 23 CO 0.60 0.28 -0.14 -0.08 -0.69 0.00 0.00 178.15 178.12 1xqq h GLU 24 N 0.01 0.00 0.00 2.37 4.57 -1.79 -0.94 114.58 118.80 1xqq h GLU 24 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xqq h GLU 24 Cb 0.50 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1xqq h GLU 24 CO 0.04 0.14 -0.24 -0.97 -1.18 0.00 0.00 179.01 176.79 1xqq h ASN 25 N 0.00 0.00 0.10 1.04 -0.73 -1.55 -3.20 115.58 111.24 1xqq h ASN 25 Ca -0.00 -0.02 -0.31 0.00 1.87 0.00 0.00 56.30 57.84 1xqq h ASN 25 Cb 0.62 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.19 1xqq h ASN 25 CO 0.02 0.01 -1.63 0.58 -0.37 0.00 0.00 177.43 176.04 1xqq h VAL 26 N 0.00 0.84 -0.23 2.57 2.07 -1.32 -3.35 116.25 116.83 1xqq h VAL 26 Ca 0.00 -2.33 0.07 0.00 0.82 0.00 0.00 66.70 65.25 1xqq h VAL 26 Cb 0.92 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1xqq h VAL 26 CO 0.00 0.71 0.31 0.11 0.02 0.00 0.00 177.57 178.72 1xqq h LYS 27 N -0.28 0.00 0.00 1.57 1.57 -1.30 -2.01 116.57 116.11 1xqq h LYS 27 Ca -0.36 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 1xqq h LYS 27 Cb 1.79 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.08 1xqq h LYS 27 CO 0.02 0.00 -0.51 0.00 -0.57 0.00 0.00 179.45 178.39 1xqq h ALA 28 N 1.60 1.10 0.09 3.86 0.00 -1.68 -1.91 119.26 122.32 1xqq h ALA 28 Ca 0.11 -0.47 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 1xqq h ALA 28 Cb 0.73 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1xqq h ALA 28 CO -0.00 0.64 -1.60 0.87 0.00 0.00 0.00 179.25 179.16 1xqq h LYS 29 N 0.00 0.20 -0.12 0.00 1.79 -1.51 -2.80 116.57 114.12 1xqq h LYS 29 Ca -0.01 -0.34 0.04 0.00 -2.18 0.00 0.00 60.65 58.17 1xqq h LYS 29 Cb 0.94 0.13 -0.05 0.00 -1.58 0.00 0.00 32.23 31.67 1xqq h LYS 29 CO 0.07 1.02 -0.17 0.82 -1.08 0.00 0.00 179.45 180.10 1xqq h ILE 30 N 0.05 0.56 -0.39 1.86 2.04 -1.47 0.87 117.51 121.04 1xqq h ILE 30 Ca -0.26 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.67 1xqq h ILE 30 Cb 2.01 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 1xqq h ILE 30 CO 0.14 0.00 -0.03 -0.61 0.00 0.00 0.00 178.15 177.64 1xqq h GLN 31 N -0.22 0.06 0.25 2.37 4.15 -1.39 0.29 115.11 120.63 1xqq h GLN 31 Ca 0.09 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.52 1xqq h GLN 31 Cb 0.36 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1xqq h GLN 31 CO -0.25 0.04 -0.43 -0.44 -1.93 0.00 0.00 178.83 175.82 1xqq h ASP 32 N 0.06 -1.23 0.06 -0.69 3.32 -1.41 -3.08 116.42 113.45 1xqq h ASP 32 Ca 0.19 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xqq h ASP 32 Cb 0.28 0.44 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1xqq h ASP 32 CO -0.35 -0.53 -0.03 0.50 -1.72 0.00 0.00 179.24 177.11 1xqq h LYS 33 N -0.75 -0.07 0.06 3.56 3.64 -0.43 -3.39 116.57 119.18 1xqq h LYS 33 Ca -0.01 0.01 -0.34 0.00 -1.27 0.00 0.00 60.65 59.03 1xqq h LYS 33 Cb 0.72 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 1xqq h LYS 33 CO -0.17 0.40 -1.99 0.39 -2.27 0.00 0.00 179.45 175.81 1xqq n GLU 34 N -4.77 0.70 -0.56 1.90 -0.58 1.00 -5.04 120.64 113.29 1xqq n GLU 34 Ca -0.06 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1xqq n GLU 34 Cb 0.25 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 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 1.86 0.41 2.75 0.62 0.00 -1.09 -5.03 105.19 104.71 1xqq n GLY 35 Ca -0.29 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.37 0.11 0.83 -0.61 1.01 -1.26 -5.00 121.20 113.91 1xqq s ILE 36 Ca 0.00 0.23 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 1xqq s ILE 36 Cb 0.00 -0.29 0.09 0.00 0.01 0.00 0.00 42.46 42.27 1xqq s ILE 36 CO 0.00 0.19 1.09 -2.16 0.00 0.00 0.00 174.94 174.06 1xqq s PRO 37 N 1.72 1.83 0.00 2.79 0.04 -1.26 -3.52 135.00 136.60 1xqq s PRO 37 Ca -0.00 0.78 0.30 0.00 0.04 0.00 0.00 61.00 62.12 1xqq s PRO 37 Cb -0.13 -1.88 1.47 0.00 0.04 0.00 0.00 34.50 34.01 1xqq s PRO 37 CO -0.03 -1.83 1.99 -0.35 0.04 0.00 0.00 177.00 176.81 1xqq n PRO 38 N -3.60 1.11 0.06 0.56 -0.04 -1.26 -2.23 135.00 129.59 1xqq n PRO 38 Ca 0.07 -0.35 0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1xqq n PRO 38 Cb 0.55 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.65 0.52 0.05 3.54 5.75 -1.26 -3.96 116.55 120.54 1xqq n ASP 39 Ca 0.20 0.20 -0.14 0.00 -0.01 0.00 0.00 54.79 55.04 1xqq n ASP 39 Cb 0.23 1.05 -0.14 0.00 -1.03 0.00 0.00 41.12 41.23 1xqq n ASP 39 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1xqq h GLN 40 N 0.00 0.16 -6.93 0.11 4.15 -1.68 -3.45 115.11 107.47 1xqq h GLN 40 Ca 0.00 -0.27 -0.51 0.00 0.77 0.00 0.00 58.65 58.64 1xqq h GLN 40 Cb 1.00 0.10 0.05 0.00 0.21 0.00 0.00 27.48 28.84 1xqq h GLN 40 CO 0.00 0.99 0.52 -0.65 -1.93 0.00 0.00 178.83 177.75 1xqq s GLN 41 N -2.63 4.12 -0.22 1.69 -0.21 -1.07 -0.80 119.66 120.54 1xqq s GLN 41 Ca -0.07 1.87 -0.09 0.00 0.02 0.00 0.00 55.36 57.10 1xqq s GLN 41 Cb 0.08 -2.74 0.09 0.00 1.00 0.00 0.00 33.01 31.43 1xqq s GLN 41 CO 0.84 -0.27 0.48 0.50 -2.12 0.00 0.00 175.29 174.72 1xqq s ARG 42 N -2.20 0.43 -0.21 2.91 3.52 -1.00 -4.78 118.95 117.62 1xqq s ARG 42 Ca 0.55 1.06 -0.08 0.00 -0.13 0.00 0.00 55.73 57.13 1xqq s ARG 42 Cb -0.32 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 1xqq s ARG 42 CO 0.40 -0.21 0.10 -0.51 -0.81 0.00 0.00 175.30 174.27 1xqq s LEU 43 N 2.22 3.86 -0.08 -0.88 1.43 -1.26 -0.72 118.68 123.24 1xqq s LEU 43 Ca -0.05 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.13 1xqq s LEU 43 Cb -0.10 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1xqq s LEU 43 CO -0.15 0.11 -0.22 -0.63 0.23 0.00 0.00 176.35 175.70 1xqq s ILE 44 N 0.78 2.33 -0.64 -0.59 -1.09 0.20 -1.63 121.20 120.56 1xqq s ILE 44 Ca 0.05 -0.95 -0.09 0.00 -2.23 0.00 0.00 60.65 57.43 1xqq s ILE 44 Cb -0.13 -1.89 0.17 0.00 -1.58 0.00 0.00 42.46 39.02 1xqq s ILE 44 CO 0.02 0.56 0.52 0.12 -1.23 0.00 0.00 174.94 174.93 1xqq s PHE 45 N 0.05 3.52 0.00 3.97 5.36 0.32 -0.95 117.98 130.25 1xqq s PHE 45 Ca -0.09 -2.15 0.00 0.00 -0.96 0.00 0.00 56.93 53.73 1xqq s PHE 45 Cb -0.15 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 1xqq s PHE 45 CO 0.06 -0.95 0.00 0.00 -1.46 0.00 0.00 175.22 172.87 1xqq n ALA 46 N 4.17 0.00 -0.26 11.12 0.00 -1.26 -1.53 120.51 132.75 1xqq n ALA 46 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xqq n ALA 46 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.48 3.86 0.00 0.00 -1.26 -5.01 105.19 102.29 1xqq n GLY 47 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.10 3.87 -0.11 1.61 1.02 -0.58 -5.10 119.74 120.35 1xqq s LYS 48 Ca 0.00 0.36 -0.09 0.00 0.02 0.00 0.00 55.97 56.27 1xqq s LYS 48 Cb 0.00 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1xqq s LYS 48 CO 0.00 0.39 0.18 -1.14 -0.92 0.00 0.00 175.35 173.86 1xqq s GLN 49 N -2.44 3.60 0.31 1.68 0.74 -1.26 -0.52 119.66 121.76 1xqq s GLN 49 Ca 0.43 -0.05 -0.10 0.00 0.05 0.00 0.00 55.36 55.68 1xqq s GLN 49 Cb -0.13 -3.22 -0.07 0.00 1.10 0.00 0.00 33.01 30.69 1xqq s GLN 49 CO 0.20 0.71 0.65 -0.51 -0.55 0.00 0.00 175.29 175.79 1xqq s LEU 50 N -0.86 4.04 0.23 3.68 1.43 -0.65 -4.91 118.68 121.65 1xqq s LEU 50 Ca 0.16 1.03 0.10 0.00 -1.03 0.00 0.00 54.13 54.39 1xqq s LEU 50 Cb -0.13 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.21 1xqq s LEU 50 CO 0.05 -0.21 -0.11 -1.61 0.23 0.00 0.00 176.35 174.70 1xqq s GLU 51 N -3.24 1.96 0.05 1.70 2.02 -1.26 -4.67 118.70 115.26 1xqq s GLU 51 Ca 0.49 -1.47 -0.25 0.00 0.02 0.00 0.00 54.97 53.76 1xqq s GLU 51 Cb -0.11 -2.02 -0.17 0.00 0.10 0.00 0.00 34.13 31.93 1xqq s GLU 51 CO 0.24 0.38 1.55 -0.44 0.02 0.00 0.00 175.26 177.01 1xqq h ASP 52 N 2.48 -0.07 0.18 -0.19 3.32 -1.99 -3.36 116.42 116.79 1xqq h ASP 52 Ca -0.44 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1xqq h ASP 52 Cb 1.23 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xqq h ASP 52 CO 0.57 0.12 -0.02 0.61 -1.72 0.00 0.00 179.24 178.80 1xqq n GLY 53 N -0.65 -0.93 3.92 2.75 0.00 -1.26 -2.12 105.19 106.89 1xqq n GLY 53 Ca -0.08 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.20 3.28 0.53 1.61 0.52 -1.26 -4.85 118.95 116.58 1xqq s ARG 54 Ca 0.39 -0.81 -0.09 0.00 -0.52 0.00 0.00 55.73 54.70 1xqq s ARG 54 Cb 0.21 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 1xqq s ARG 54 CO 0.40 0.44 0.90 0.95 0.02 0.00 0.00 175.30 178.01 1xqq s THR 55 N -1.96 4.79 0.23 0.02 -4.23 -1.26 -2.80 115.64 110.43 1xqq s THR 55 Ca 0.34 0.58 -0.06 0.00 -1.18 0.00 0.00 61.69 61.37 1xqq s THR 55 Cb -0.09 -3.84 0.19 0.00 1.34 0.00 0.00 72.50 70.09 1xqq s THR 55 CO 0.28 -0.93 1.77 -0.07 -0.54 0.00 0.00 174.62 175.12 1xqq h LEU 56 N 0.15 0.43 -0.84 4.79 3.38 -1.24 -2.28 115.31 119.71 1xqq h LEU 56 Ca -0.46 0.07 0.15 0.00 0.09 0.00 0.00 57.88 57.74 1xqq h LEU 56 Cb 1.20 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 41.86 1xqq h LEU 56 CO 0.62 0.22 0.41 0.77 0.09 0.00 0.00 178.44 180.55 1xqq h SER 57 N 0.57 0.46 -0.15 -0.43 4.64 -1.43 0.16 113.55 117.36 1xqq h SER 57 Ca 0.37 0.10 0.03 0.00 -0.47 0.00 0.00 61.79 61.83 1xqq h SER 57 Cb 0.45 0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1xqq h SER 57 CO -0.31 0.18 -0.05 -0.78 -0.87 0.00 0.00 176.83 175.00 1xqq h ASP 58 N 0.57 -0.17 0.30 4.97 3.58 -1.71 -2.04 116.42 121.91 1xqq h ASP 58 Ca 0.46 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.91 1xqq h ASP 58 Cb 0.69 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 1xqq h ASP 58 CO -0.39 -0.06 -0.25 1.88 -2.88 0.00 0.00 179.24 177.54 1xqq h TYR 59 N -0.02 0.00 -2.11 0.28 0.05 -1.60 -3.48 116.97 110.10 1xqq h TYR 59 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1xqq h TYR 59 Cb 0.13 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.87 1xqq h TYR 59 CO -0.19 0.25 0.00 0.09 -1.05 0.00 0.00 178.16 177.25 1xqq n ASN 60 N -4.12 -1.65 -4.84 3.88 5.03 -0.68 -5.08 115.26 107.80 1xqq n ASN 60 Ca -0.02 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.10 1xqq n ASN 60 Cb 0.31 -0.41 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 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 4.62 0.00 2.41 1.01 0.46 -4.99 121.20 121.96 1xqq s ILE 61 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1xqq s ILE 61 Cb 0.00 -3.65 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1xqq s ILE 61 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 174.94 174.79 1xqq n GLN 62 N -0.24 0.00 -2.55 2.79 10.64 -1.26 -4.69 117.38 122.07 1xqq n GLN 62 Ca 0.03 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.79 1xqq n GLN 62 Cb 0.53 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.87 1xqq n GLN 62 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1xqq s LYS 63 N 0.27 4.55 -0.02 2.61 -2.85 -1.26 -3.59 119.74 119.44 1xqq s LYS 63 Ca 0.00 1.65 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 1xqq s LYS 63 Cb 0.00 -3.34 0.00 0.00 -2.06 0.00 0.00 37.83 32.43 1xqq s LYS 63 CO 0.00 -0.04 0.00 0.39 0.10 0.00 0.00 175.35 175.80 1xqq n GLU 64 N 3.19 -0.55 -1.75 1.78 1.02 -0.40 -4.98 120.64 118.93 1xqq n GLU 64 Ca 0.05 0.15 -0.41 0.00 -0.02 0.00 0.00 57.16 56.94 1xqq n GLU 64 Cb 0.47 -3.58 0.01 0.00 -0.02 0.00 0.00 31.44 28.32 1xqq n GLU 64 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1xqq n SER 65 N -0.25 3.41 -4.15 1.62 7.64 -1.24 -4.67 113.62 115.99 1xqq n SER 65 Ca -0.00 1.18 -0.37 0.00 1.01 0.00 0.00 58.87 60.69 1xqq n SER 65 Cb 0.14 -1.59 -0.12 0.00 -1.01 0.00 0.00 64.21 61.64 1xqq n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xqq s THR 66 N -1.14 3.40 0.20 0.44 2.01 -1.26 -1.47 115.64 117.82 1xqq s THR 66 Ca 0.56 -1.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.63 1xqq s THR 66 Cb -0.48 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 68.74 1xqq s THR 66 CO 0.61 -0.56 0.53 -0.76 -0.69 0.00 0.00 174.62 173.75 1xqq s LEU 67 N 1.21 4.21 -0.14 4.42 2.01 -0.09 -4.61 118.68 125.70 1xqq s LEU 67 Ca 0.05 0.92 0.00 0.00 0.01 0.00 0.00 54.13 55.12 1xqq s LEU 67 Cb -0.22 -3.55 -0.01 0.00 0.01 0.00 0.00 46.19 42.41 1xqq s LEU 67 CO -0.03 -0.02 -0.15 -1.00 1.01 0.00 0.00 176.35 176.16 1xqq s HIS 68 N -1.73 2.78 -0.33 0.29 3.76 -0.13 -1.32 115.29 118.61 1xqq s HIS 68 Ca 0.45 -0.85 -0.16 0.00 -0.15 0.00 0.00 55.06 54.34 1xqq s HIS 68 Cb -0.12 -1.86 -0.01 0.00 1.11 0.00 0.00 32.58 31.70 1xqq s HIS 68 CO 0.21 -0.35 0.43 -1.17 -0.85 0.00 0.00 174.74 173.02 1xqq s LEU 69 N 0.57 4.32 -0.02 0.89 2.96 0.51 0.62 118.68 128.52 1xqq s LEU 69 Ca -0.09 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 53.83 1xqq s LEU 69 Cb -0.16 -2.47 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1xqq s LEU 69 CO 0.04 -0.37 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.85 1xqq s VAL 70 N 2.20 2.98 -0.26 1.68 1.01 0.10 -3.53 120.40 124.57 1xqq s VAL 70 Ca 0.16 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1xqq s VAL 70 Cb -0.16 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 1xqq s VAL 70 CO 0.12 0.52 0.72 -0.76 0.00 0.00 0.00 175.10 175.71 1xqq s LEU 71 N -0.92 4.08 -0.07 3.92 1.43 -1.26 -2.38 118.68 123.49 1xqq s LEU 71 Ca 0.12 0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1xqq s LEU 71 Cb -0.11 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 1xqq s LEU 71 CO 0.02 -0.47 0.04 0.00 0.23 0.00 0.00 176.35 176.17 1xqq s ARG 72 N 2.70 3.04 0.00 1.70 1.70 0.02 -5.01 118.95 123.11 1xqq s ARG 72 Ca 0.30 -0.41 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1xqq s ARG 72 Cb -0.15 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 1xqq s ARG 72 CO 0.09 0.70 0.00 -0.11 -1.08 0.00 0.00 175.30 174.90 1xqq n LEU 73 N 1.85 0.00 -4.09 -1.89 7.94 -1.26 -4.54 117.00 115.02 1xqq n LEU 73 Ca -0.17 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.61 1xqq n LEU 73 Cb 0.54 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.38 1xqq n LEU 73 CO 0.31 0.00 -0.39 -0.13 -1.11 0.00 0.00 177.39 176.07 1xqq s ARG 74 N 2.61 0.59 0.00 1.96 1.81 -1.26 -4.83 118.95 119.83 1xqq s ARG 74 Ca 0.00 -0.90 0.00 0.00 -1.72 0.00 0.00 55.73 53.11 1xqq s ARG 74 Cb 0.00 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.26 1xqq s ARG 74 CO 0.00 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.05 1xqq n GLY 75 N 1.07 2.06 0.79 -3.53 0.00 -1.26 -5.31 105.19 99.01 1xqq n GLY 75 Ca -0.20 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.62 1xqq n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93