#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gyx s HIS 2 N 0.00 2.52 -0.16 6.00 2.46 -1.26 -1.73 115.29 123.12 1gyx s HIS 2 Ca 0.00 -1.35 -0.02 0.00 0.47 0.00 0.00 55.06 54.16 1gyx s HIS 2 Cb 0.00 -1.75 -0.02 0.00 -0.13 0.00 0.00 32.58 30.68 1gyx s HIS 2 CO 0.00 -0.65 -0.09 0.42 -2.47 0.00 0.00 174.74 171.95 1gyx s ILE 3 N 1.07 3.33 -0.16 0.89 1.09 -0.15 -4.99 121.20 122.27 1gyx s ILE 3 Ca -0.02 -0.55 -0.00 0.00 -1.10 0.00 0.00 60.65 58.98 1gyx s ILE 3 Cb -0.14 -2.44 -0.00 0.00 -1.06 0.00 0.00 42.46 38.81 1gyx s ILE 3 CO -0.06 0.49 -0.14 -0.62 -0.10 0.00 0.00 174.94 174.52 1gyx s ASP 4 N 0.60 3.78 -0.26 3.58 2.15 -1.26 -0.58 116.67 124.68 1gyx s ASP 4 Ca -0.05 -0.44 -0.02 0.00 0.43 0.00 0.00 52.55 52.46 1gyx s ASP 4 Cb -0.15 -1.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.90 1gyx s ASP 4 CO 0.03 0.08 -0.04 -0.63 -0.17 0.00 0.00 175.17 174.43 1gyx s ILE 5 N 0.86 3.00 -0.13 4.11 1.01 -0.00 -4.97 121.20 125.07 1gyx s ILE 5 Ca -0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1gyx s ILE 5 Cb -0.15 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 1gyx s ILE 5 CO -0.00 0.17 -0.01 -0.54 0.00 0.00 0.00 174.94 174.56 1gyx s LYS 6 N 1.34 3.44 0.20 2.79 1.02 -1.26 -0.30 119.74 126.98 1gyx s LYS 6 Ca 0.00 -0.45 -0.17 0.00 0.02 0.00 0.00 55.97 55.37 1gyx s LYS 6 Cb -0.17 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1gyx s LYS 6 CO -0.04 0.43 0.53 0.00 -0.92 0.00 0.00 175.35 175.35 1gyx s PHE 8 N -3.89 2.17 0.41 0.00 0.40 -1.26 -0.30 117.98 115.51 1gyx s PHE 8 Ca 0.11 1.59 -0.27 0.00 -0.60 0.00 0.00 56.93 57.76 1gyx s PHE 8 Cb -0.01 -3.16 -0.09 0.00 0.51 0.00 0.00 43.02 40.26 1gyx s PHE 8 CO -0.01 -2.30 1.42 -2.14 0.70 0.00 0.00 175.22 172.89 1gyx s PRO 9 N -4.80 3.91 -0.04 0.24 0.02 -1.25 -4.70 135.00 128.38 1gyx s PRO 9 Ca 0.64 2.42 -0.30 0.00 0.02 0.00 0.00 61.00 63.78 1gyx s PRO 9 Cb -0.19 -2.80 0.08 0.00 0.02 0.00 0.00 34.50 31.61 1gyx s PRO 9 CO 0.57 -0.63 0.75 -0.98 -0.33 0.00 0.00 177.00 176.38 1gyx s ARG 10 N -2.26 0.97 -0.33 5.54 3.03 -1.26 -5.08 118.95 119.56 1gyx s ARG 10 Ca 0.57 0.11 -0.26 0.00 2.03 0.00 0.00 55.73 58.18 1gyx s ARG 10 Cb -0.44 0.46 0.01 0.00 -1.03 0.00 0.00 34.95 33.95 1gyx s ARG 10 CO 0.57 -0.33 0.92 -1.83 -1.13 0.00 0.00 175.30 173.51 1gyx s GLU 11 N -1.62 3.95 -0.12 3.89 1.03 -1.26 -5.03 118.70 119.54 1gyx s GLU 11 Ca -0.06 0.72 0.03 0.00 0.03 0.00 0.00 54.97 55.68 1gyx s GLU 11 Cb -0.00 -3.76 0.01 0.00 -0.80 0.00 0.00 34.13 29.58 1gyx s GLU 11 CO 0.04 -0.84 -0.20 -0.51 -1.33 0.00 0.00 175.26 172.41 1gyx s LEU 12 N 3.35 2.00 0.86 1.83 2.01 -1.26 -5.12 118.68 122.35 1gyx s LEU 12 Ca 0.38 -0.55 -0.10 0.00 0.01 0.00 0.00 54.13 53.88 1gyx s LEU 12 Cb -0.13 -1.34 0.17 0.00 0.01 0.00 0.00 46.19 44.90 1gyx s LEU 12 CO 0.16 0.08 1.18 1.51 1.01 0.00 0.00 176.35 180.29 1gyx s ASP 13 N 0.78 3.66 0.21 2.29 1.47 -1.26 -4.88 116.67 118.95 1gyx s ASP 13 Ca -0.09 0.03 -0.08 0.00 1.18 0.00 0.00 52.55 53.59 1gyx s ASP 13 Cb -0.16 -0.22 0.17 0.00 -0.34 0.00 0.00 42.92 42.36 1gyx s ASP 13 CO 0.00 -2.35 1.81 -0.33 0.68 0.00 0.00 175.17 174.98 1gyx h GLU 14 N -1.17 1.16 -0.55 2.11 4.39 -2.00 -1.05 114.58 117.46 1gyx h GLU 14 Ca -0.41 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.10 1gyx h GLU 14 Cb 1.25 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1gyx h GLU 14 CO 0.40 0.89 0.26 0.37 -1.16 0.00 0.00 179.01 179.77 1gyx h GLN 15 N 1.14 0.80 -0.51 2.33 4.15 -1.99 -1.19 115.11 119.85 1gyx h GLN 15 Ca 0.28 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.56 1gyx h GLN 15 Cb 0.11 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1gyx h GLN 15 CO -0.04 0.67 0.27 1.96 -1.93 0.00 0.00 178.83 179.76 1gyx h GLN 16 N 0.75 0.72 -0.63 1.69 4.20 -1.83 -1.15 115.11 118.85 1gyx h GLN 16 Ca 0.19 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1gyx h GLN 16 Cb 0.13 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1gyx h GLN 16 CO -0.02 0.58 0.25 0.87 -0.67 0.00 0.00 178.83 179.84 1gyx h LYS 17 N 0.68 0.95 -0.30 1.46 1.57 -0.98 -1.32 116.57 118.63 1gyx h LYS 17 Ca 0.18 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1gyx h LYS 17 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1gyx h LYS 17 CO -0.03 0.80 -0.35 0.00 -0.57 0.00 0.00 179.45 179.30 1gyx h ALA 18 N 1.10 0.81 -0.34 3.86 0.00 -1.02 -0.79 119.26 122.87 1gyx h ALA 18 Ca 0.21 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1gyx h ALA 18 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gyx h ALA 18 CO -0.02 0.64 -0.29 0.00 0.00 0.00 0.00 179.25 179.59 1gyx h ALA 19 N 1.04 0.50 -0.42 0.00 0.00 -1.02 -0.30 119.26 119.05 1gyx h ALA 19 Ca 0.06 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1gyx h ALA 19 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1gyx h ALA 19 CO 0.08 0.52 0.24 1.25 0.00 0.00 0.00 179.25 181.33 1gyx h LEU 20 N 0.58 0.53 -1.13 0.00 5.85 -1.15 -1.27 115.31 118.72 1gyx h LEU 20 Ca 0.06 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1gyx h LEU 20 Cb 0.86 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 1gyx h LEU 20 CO 0.07 0.46 0.59 0.00 -0.34 0.00 0.00 178.44 179.22 1gyx h ALA 21 N 1.09 1.40 -0.35 1.25 0.00 -0.91 -1.01 119.26 120.74 1gyx h ALA 21 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1gyx h ALA 21 Cb 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1gyx h ALA 21 CO -0.03 0.53 -0.13 0.00 0.00 0.00 0.00 179.25 179.62 1gyx h ALA 22 N 1.46 0.49 -0.64 0.00 0.00 -0.67 0.13 119.26 120.02 1gyx h ALA 22 Ca 0.34 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1gyx h ALA 22 Cb -0.06 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1gyx h ALA 22 CO -0.09 0.38 0.25 -0.44 0.00 0.00 0.00 179.25 179.35 1gyx h ASP 23 N 0.49 0.89 -0.43 0.00 5.19 -0.90 -1.89 116.42 119.78 1gyx h ASP 23 Ca 0.08 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.30 1gyx h ASP 23 Cb 0.66 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.92 1gyx h ASP 23 CO 0.04 0.83 0.21 0.40 -3.12 0.00 0.00 179.24 177.60 1gyx h ILE 24 N 0.91 1.18 -0.42 0.35 1.08 -1.06 -2.70 117.51 116.84 1gyx h ILE 24 Ca 0.21 -0.50 0.08 0.00 -0.39 0.00 0.00 64.86 64.26 1gyx h ILE 24 Cb 0.22 0.72 -0.07 0.00 -3.07 0.00 0.00 36.82 34.63 1gyx h ILE 24 CO -0.02 0.19 0.02 0.74 -0.69 0.00 0.00 178.15 178.40 1gyx h THR 25 N 0.55 0.70 -0.28 -0.27 2.02 -0.66 -0.90 112.91 114.07 1gyx h THR 25 Ca 0.15 -0.05 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 1gyx h THR 25 Cb 0.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1gyx h THR 25 CO -0.02 0.02 -0.25 0.44 0.37 0.00 0.00 175.52 176.09 1gyx h ASP 26 N 0.13 0.55 -0.37 4.18 3.32 -1.27 0.45 116.42 123.41 1gyx h ASP 26 Ca 0.21 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1gyx h ASP 26 Cb 0.29 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1gyx h ASP 26 CO -0.33 0.79 0.18 0.58 -1.72 0.00 0.00 179.24 178.73 1gyx h VAL 27 N 0.48 1.17 -0.52 -1.35 2.07 -1.08 -1.08 116.25 115.93 1gyx h VAL 27 Ca 0.07 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1gyx h VAL 27 Cb 0.69 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1gyx h VAL 27 CO 0.05 0.18 0.18 0.40 0.02 0.00 0.00 177.57 178.40 1gyx h ILE 28 N 0.46 1.23 -0.60 4.57 1.08 -0.66 -1.85 117.51 121.73 1gyx h ILE 28 Ca 0.13 -0.73 0.06 0.00 -0.39 0.00 0.00 64.86 63.92 1gyx h ILE 28 Cb 0.12 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 1gyx h ILE 28 CO -0.02 0.27 0.32 0.40 -0.69 0.00 0.00 178.15 178.43 1gyx h ILE 29 N 0.70 0.95 0.02 -0.67 2.04 -0.77 0.26 117.51 120.05 1gyx h ILE 29 Ca 0.17 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1gyx h ILE 29 Cb 0.24 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1gyx h ILE 29 CO -0.01 0.11 -0.01 0.03 0.00 0.00 0.00 178.15 178.27 1gyx h ARG 30 N 0.60 -0.02 0.00 2.37 3.08 -0.89 -1.84 114.38 117.67 1gyx h ARG 30 Ca 0.27 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.09 1gyx h ARG 30 Cb 0.18 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1gyx h ARG 30 CO -0.18 0.17 -1.23 0.45 -1.07 0.00 0.00 179.97 178.11 1gyx h HIS 31 N -0.21 0.00 -0.11 3.04 3.86 -1.23 -3.36 115.15 117.14 1gyx h HIS 31 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1gyx h HIS 31 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1gyx h HIS 31 CO -0.01 0.99 0.00 1.28 0.86 0.00 0.00 177.93 181.04 1gyx n LEU 32 N -3.24 2.35 -3.05 2.43 4.77 0.07 -4.99 117.00 115.35 1gyx n LEU 32 Ca -0.06 -1.23 -0.23 0.00 -0.03 0.00 0.00 56.01 54.47 1gyx n LEU 32 Cb 0.97 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 42.04 1gyx n LEU 32 CO 0.46 0.48 0.00 -3.20 -1.33 0.00 0.00 177.39 173.81 1gyx n ASN 33 N 0.76 -6.09 -4.89 -1.43 5.15 -0.70 -4.96 115.26 103.10 1gyx n ASN 33 Ca 0.09 -0.30 -0.29 0.00 -0.60 0.00 0.00 54.58 53.48 1gyx n ASN 33 Cb 0.37 -4.92 0.05 0.00 -0.53 0.00 0.00 39.78 34.75 1gyx n ASN 33 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1gyx s SER 34 N -2.72 5.30 0.14 1.20 0.01 -1.20 -5.04 113.70 111.38 1gyx s SER 34 Ca 0.32 1.02 0.02 0.00 1.31 0.00 0.00 55.95 58.62 1gyx s SER 34 Cb -0.14 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 1gyx s SER 34 CO 0.39 -1.41 0.27 -0.54 0.41 0.00 0.00 173.24 172.37 1gyx s LYS 35 N -5.36 3.44 0.24 12.44 -0.14 -1.26 -4.72 119.74 124.38 1gyx s LYS 35 Ca 0.58 -0.58 -0.05 0.00 -1.36 0.00 0.00 55.97 54.57 1gyx s LYS 35 Cb -0.11 -2.98 0.37 0.00 -1.68 0.00 0.00 37.83 33.44 1gyx s LYS 35 CO 0.51 0.53 1.83 0.22 -0.76 0.00 0.00 175.35 177.68 1gyx h ASP 36 N 2.27 0.76 0.49 2.83 3.58 -1.97 -2.49 116.42 121.89 1gyx h ASP 36 Ca -0.48 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1gyx h ASP 36 Cb 1.19 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 1gyx h ASP 36 CO 0.70 0.46 -0.04 0.28 -2.88 0.00 0.00 179.24 177.76 1gyx h SER 37 N 0.88 0.00 1.38 2.28 0.02 -2.02 -2.19 113.55 113.89 1gyx h SER 37 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1gyx h SER 37 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1gyx h SER 37 CO -0.21 0.04 -0.01 -1.54 -1.14 0.00 0.00 176.83 173.97 1gyx n SER 38 N -3.25 0.65 -4.76 3.07 3.41 -0.94 -4.86 113.62 106.96 1gyx n SER 38 Ca -0.01 0.56 -0.37 0.00 -0.26 0.00 0.00 58.87 58.79 1gyx n SER 38 Cb 0.21 -0.73 -0.07 0.00 -0.26 0.00 0.00 64.21 63.36 1gyx n SER 38 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1gyx s ILE 39 N -3.08 5.29 0.05 -1.33 1.01 -0.83 -1.20 121.20 121.11 1gyx s ILE 39 Ca 0.11 0.55 0.05 0.00 0.00 0.00 0.00 60.65 61.36 1gyx s ILE 39 Cb 0.14 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 1gyx s ILE 39 CO 0.58 0.44 -0.14 -0.94 0.00 0.00 0.00 174.94 174.88 1gyx s SER 40 N 0.12 1.71 -0.03 3.58 1.04 -0.71 -4.98 113.70 114.42 1gyx s SER 40 Ca 0.17 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1gyx s SER 40 Cb -0.13 -0.10 0.03 0.00 0.10 0.00 0.00 66.02 65.91 1gyx s SER 40 CO 0.05 0.02 0.02 -0.63 0.98 0.00 0.00 173.24 173.68 1gyx s ILE 41 N -0.93 0.06 0.04 -1.02 1.01 -1.26 -0.98 121.20 118.13 1gyx s ILE 41 Ca 0.01 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.90 1gyx s ILE 41 Cb -0.08 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1gyx s ILE 41 CO 0.01 0.14 -0.07 0.00 0.00 0.00 0.00 174.94 175.03 1gyx s ALA 42 N 1.32 3.04 -0.20 9.38 0.00 0.25 -4.99 121.76 130.56 1gyx s ALA 42 Ca -0.06 -1.08 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1gyx s ALA 42 Cb -0.13 -1.08 0.05 0.00 0.00 0.00 0.00 23.12 21.96 1gyx s ALA 42 CO -0.03 0.63 -0.03 -1.17 0.00 0.00 0.00 175.76 175.17 1gyx s LEU 43 N -1.71 1.87 -0.20 0.00 2.96 -1.26 -0.82 118.68 119.51 1gyx s LEU 43 Ca 0.19 -0.90 -0.02 0.00 -0.22 0.00 0.00 54.13 53.18 1gyx s LEU 43 Cb -0.11 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1gyx s LEU 43 CO 0.10 -0.24 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.69 1gyx s GLN 44 N 1.60 3.20 -0.24 1.98 -0.21 0.59 -4.98 119.66 121.59 1gyx s GLN 44 Ca -0.02 -0.72 -0.23 0.00 0.02 0.00 0.00 55.36 54.41 1gyx s GLN 44 Cb -0.17 -2.82 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 1gyx s GLN 44 CO -0.07 -0.21 0.73 -0.65 -2.12 0.00 0.00 175.29 172.97 1gyx s GLN 45 N 1.39 4.16 -0.17 2.91 -0.21 -1.26 -2.26 119.66 124.22 1gyx s GLN 45 Ca 0.05 0.76 -0.04 0.00 0.02 0.00 0.00 55.36 56.16 1gyx s GLN 45 Cb -0.14 -3.64 -0.02 0.00 1.00 0.00 0.00 33.01 30.21 1gyx s GLN 45 CO -0.08 -0.45 -0.03 0.42 -2.12 0.00 0.00 175.29 173.03 1gyx s ILE 46 N 2.61 3.80 0.62 1.08 -1.09 0.59 -4.85 121.20 123.96 1gyx s ILE 46 Ca 0.31 -0.38 -0.17 0.00 -2.23 0.00 0.00 60.65 58.18 1gyx s ILE 46 Cb -0.15 -2.68 -0.02 0.00 -1.58 0.00 0.00 42.46 38.03 1gyx s ILE 46 CO 0.08 0.47 1.17 -1.10 -1.23 0.00 0.00 174.94 174.33 1gyx s GLN 47 N 0.62 2.87 0.27 2.79 -1.52 -1.26 -3.91 119.66 119.51 1gyx s GLN 47 Ca -0.02 1.68 -0.02 0.00 -1.95 0.00 0.00 55.36 55.05 1gyx s GLN 47 Cb -0.14 -1.93 0.45 0.00 -0.22 0.00 0.00 33.01 31.16 1gyx s GLN 47 CO 0.02 -1.25 1.85 -1.35 -0.25 0.00 0.00 175.29 174.31 1gyx h PRO 48 N 0.56 1.00 0.00 2.91 0.11 -1.98 0.51 132.00 135.10 1gyx h PRO 48 Ca -0.49 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.55 1gyx h PRO 48 Cb 1.28 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1gyx h PRO 48 CO 0.54 0.66 -0.02 0.93 -0.21 0.00 0.00 178.00 179.90 1gyx h GLU 49 N 1.03 0.00 -0.17 1.05 3.07 -2.06 -2.03 114.58 115.47 1gyx h GLU 49 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1gyx h GLU 49 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1gyx h GLU 49 CO -0.22 0.02 0.00 0.43 -1.40 0.00 0.00 179.01 177.84 1gyx n SER 50 N -3.24 2.69 0.09 1.42 7.64 0.16 -4.39 113.62 118.00 1gyx n SER 50 Ca -0.02 -1.87 -0.04 0.00 1.01 0.00 0.00 58.87 57.95 1gyx n SER 50 Cb 0.16 -0.10 0.13 0.00 -1.01 0.00 0.00 64.21 63.39 1gyx n SER 50 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1gyx h TRP 51 N 3.85 0.26 -0.99 1.43 2.91 -1.28 -3.05 115.95 119.08 1gyx h TRP 51 Ca 0.00 -0.10 0.11 0.00 1.13 0.00 0.00 58.89 60.03 1gyx h TRP 51 Cb 0.83 -0.05 -0.08 0.00 -0.51 0.00 0.00 29.16 29.36 1gyx h TRP 51 CO 0.10 0.75 0.63 0.37 -1.03 0.00 0.00 178.44 179.26 1gyx h GLN 52 N 0.15 0.97 -0.80 2.65 5.75 -1.77 0.06 115.11 122.12 1gyx h GLN 52 Ca -0.01 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1gyx h GLN 52 Cb 1.09 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 1gyx h GLN 52 CO 0.09 0.64 0.43 0.00 -2.65 0.00 0.00 178.83 177.34 1gyx h ALA 53 N 1.53 1.25 -0.22 3.38 0.00 -1.84 0.11 119.26 123.47 1gyx h ALA 53 Ca 0.48 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1gyx h ALA 53 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gyx h ALA 53 CO -0.24 0.60 -0.05 0.82 0.00 0.00 0.00 179.25 180.38 1gyx h ILE 54 N 1.12 1.28 -0.23 0.00 1.08 -1.13 -1.65 117.51 117.98 1gyx h ILE 54 Ca 0.28 -1.04 0.05 0.00 -0.39 0.00 0.00 64.86 63.76 1gyx h ILE 54 Cb 0.04 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.26 1gyx h ILE 54 CO -0.04 0.32 -0.07 -0.25 -0.69 0.00 0.00 178.15 177.42 1gyx h TRP 55 N 0.16 -0.14 -0.39 1.37 2.91 -0.66 0.92 115.95 120.11 1gyx h TRP 55 Ca 0.06 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 60.02 1gyx h TRP 55 Cb 0.51 0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.24 1gyx h TRP 55 CO 0.05 -0.11 -0.09 -0.44 -1.03 0.00 0.00 178.44 176.82 1gyx h ASP 56 N -0.01 0.65 0.39 2.65 3.32 -0.74 -0.03 116.42 122.65 1gyx h ASP 56 Ca 0.11 -0.18 -0.31 0.00 0.02 0.00 0.00 57.03 56.68 1gyx h ASP 56 Cb 0.18 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 1gyx h ASP 56 CO -0.24 0.78 -1.85 0.00 -1.72 0.00 0.00 179.24 176.21 1gyx n ALA 57 N -2.48 1.49 -0.01 3.45 0.00 -0.63 -4.41 120.51 117.93 1gyx n ALA 57 Ca 0.01 -0.88 -0.00 0.00 0.00 0.00 0.00 53.44 52.57 1gyx n ALA 57 Cb 0.33 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1gyx n ALA 57 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gyx n GLU 58 N -2.99 1.96 -0.06 0.00 1.02 0.30 -4.78 120.64 116.08 1gyx n GLU 58 Ca -0.20 -0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 56.86 1gyx n GLU 58 Cb 1.07 -1.06 -0.02 0.00 -0.02 0.00 0.00 31.44 31.41 1gyx n GLU 58 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1gyx n ILE 59 N -1.85 1.10 -0.10 -3.67 5.41 -0.92 -4.67 119.36 114.65 1gyx n ILE 59 Ca -0.02 0.24 -0.06 0.00 1.00 0.00 0.00 62.75 63.91 1gyx n ILE 59 Cb 0.34 -2.10 0.02 0.00 -0.71 0.00 0.00 39.64 37.18 1gyx n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1gyx h ALA 60 N -1.22 0.38 0.00 -1.39 0.00 -1.28 -1.73 119.26 114.02 1gyx h ALA 60 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gyx h ALA 60 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gyx h ALA 60 CO 0.00 -0.33 0.00 -1.00 0.00 0.00 0.00 179.25 177.92 1gyx h PRO 61 N 0.20 0.00 -0.49 0.00 0.14 -1.79 -2.90 132.00 127.16 1gyx h PRO 61 Ca 0.17 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.31 1gyx h PRO 61 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.33 1gyx h PRO 61 CO -0.22 0.00 0.00 1.04 0.14 0.00 0.00 178.00 178.96 1gyx n GLN 62 N -3.03 2.94 -0.17 0.86 6.02 -0.98 -4.84 117.38 118.18 1gyx n GLN 62 Ca 0.01 -2.40 -0.04 0.00 -0.01 0.00 0.00 57.00 54.57 1gyx n GLN 62 Cb 0.31 -1.48 0.03 0.00 1.02 0.00 0.00 30.24 30.12 1gyx n GLN 62 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 1gyx h MET 63 N 2.93 -0.10 -0.60 -1.09 4.05 -1.11 -0.53 114.93 118.47 1gyx h MET 63 Ca 0.00 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 1gyx h MET 63 Cb 0.95 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1gyx h MET 63 CO 0.04 -0.07 0.40 0.93 0.23 0.00 0.00 176.91 178.45 1gyx h GLU 64 N -0.11 0.77 0.00 0.39 5.08 -1.88 -2.71 114.58 116.13 1gyx h GLU 64 Ca 0.24 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1gyx h GLU 64 Cb 0.49 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1gyx h GLU 64 CO -0.60 0.51 -0.28 0.00 -1.00 0.00 0.00 179.01 177.64 1gyx h ALA 65 N 1.63 0.85 -2.59 3.43 0.00 -1.51 -3.46 119.26 117.60 1gyx h ALA 65 Ca 0.23 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.57 1gyx h ALA 65 Cb -0.06 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.85 1gyx h ALA 65 CO -0.05 0.00 0.43 1.28 0.00 0.00 0.00 179.25 180.91 1gyx n LEU 66 N -2.70 3.61 0.20 0.00 4.77 -0.65 -4.89 117.00 117.33 1gyx n LEU 66 Ca 0.03 1.13 0.12 0.00 -0.03 0.00 0.00 56.01 57.26 1gyx n LEU 66 Cb 0.50 -1.47 0.16 0.00 -2.33 0.00 0.00 43.42 40.29 1gyx n LEU 66 CO 0.35 -0.76 0.72 0.16 -1.33 0.00 0.00 177.39 176.53 1gyx h ILE 67 N 2.12 0.00 -3.04 -0.08 3.07 -1.90 -3.41 117.51 114.26 1gyx h ILE 67 Ca -0.47 -0.96 -0.39 0.00 1.55 0.00 0.00 64.86 64.59 1gyx h ILE 67 Cb 1.30 1.90 -0.39 0.00 -0.27 0.00 0.00 36.82 39.36 1gyx h ILE 67 CO 0.60 0.00 -0.71 -0.75 -1.05 0.00 0.00 178.15 176.24 1gyx s LYS 68 N -3.22 0.04 0.37 0.16 2.20 -1.26 -5.15 119.74 112.87 1gyx s LYS 68 Ca 0.06 0.19 -0.18 0.00 -0.36 0.00 0.00 55.97 55.68 1gyx s LYS 68 Cb 0.06 -1.13 -0.10 0.00 -1.51 0.00 0.00 37.83 35.15 1gyx s LYS 68 CO 0.68 -0.52 0.84 0.15 -0.36 0.00 0.00 175.35 176.14 1gyx s LYS 69 N 2.20 4.13 0.42 4.03 3.01 -1.26 -5.05 119.74 127.22 1gyx s LYS 69 Ca 0.04 0.90 -0.25 0.00 -1.01 0.00 0.00 55.97 55.65 1gyx s LYS 69 Cb -0.14 -2.35 -0.08 0.00 -1.01 0.00 0.00 37.83 34.25 1gyx s LYS 69 CO -0.07 0.09 1.24 -1.25 0.51 0.00 0.00 175.35 175.86 1gyx s PRO 70 N -3.00 3.92 0.36 -1.68 0.04 -1.26 -4.93 135.00 128.44 1gyx s PRO 70 Ca 0.57 1.99 0.20 0.00 0.04 0.00 0.00 61.00 63.80 1gyx s PRO 70 Cb -0.10 -2.65 0.38 0.00 0.04 0.00 0.00 34.50 32.17 1gyx s PRO 70 CO 0.16 -0.48 1.59 0.78 0.04 0.00 0.00 177.00 179.09 1gyx h GLY 71 N 2.50 0.00 -1.94 0.56 0.00 -2.07 -3.45 103.07 98.67 1gyx h GLY 71 Ca -0.49 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.39 1gyx h GLY 71 CO 0.62 0.00 -0.04 -2.52 0.00 0.00 0.00 176.54 174.60 1gyx s TYR 72 N -3.21 3.02 0.01 5.60 1.13 -1.26 -5.13 117.35 117.51 1gyx s TYR 72 Ca 0.04 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 1gyx s TYR 72 Cb 0.08 -2.60 -0.01 0.00 -1.10 0.00 0.00 41.96 38.33 1gyx s TYR 72 CO 0.70 -0.70 -0.02 0.45 -2.51 0.00 0.00 175.55 173.47 1gyx s SER 73 N -4.34 0.21 -0.14 -0.18 0.15 -1.26 -5.02 113.70 103.11 1gyx s SER 73 Ca 0.54 -0.18 0.16 0.00 0.70 0.00 0.00 55.95 57.17 1gyx s SER 73 Cb -0.10 0.02 0.64 0.00 -1.71 0.00 0.00 66.02 64.86 1gyx s SER 73 CO 0.39 -0.08 1.55 0.23 1.20 0.00 0.00 173.24 176.53 1gyx n MET 74 N 2.58 3.65 -2.66 5.44 2.81 -1.26 -4.49 117.12 123.18 1gyx n MET 74 Ca -0.16 -2.82 -0.13 0.00 -1.81 0.00 0.00 57.70 52.78 1gyx n MET 74 Cb 0.58 -1.87 0.02 0.00 -0.71 0.00 0.00 33.22 31.24 1gyx n MET 74 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1gyx n ASN 75 N 0.50 2.02 -0.35 7.83 5.15 -1.26 -5.16 115.26 123.99 1gyx n ASN 75 Ca 0.23 -2.92 0.15 0.00 -0.60 0.00 0.00 54.58 51.44 1gyx n ASN 75 Cb 0.89 -0.52 0.64 0.00 -0.53 0.00 0.00 39.78 40.26 1gyx n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66