#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 2.82 -0.16 6.00 2.46 -1.26 -1.57 115.29 123.59 1gyx s HIS 2 Ca 0.00 -1.21 -0.02 0.00 0.47 0.00 0.00 55.06 54.30 1gyx s HIS 2 Cb 0.00 -1.95 -0.02 0.00 -0.13 0.00 0.00 32.58 30.48 1gyx s HIS 2 CO 0.00 -0.60 -0.07 0.42 -2.47 0.00 0.00 174.74 172.02 1gyx s ILE 3 N 1.12 3.51 -0.17 0.89 1.09 0.19 -4.99 121.20 122.85 1gyx s ILE 3 Ca 0.01 -0.49 -0.01 0.00 -1.10 0.00 0.00 60.65 59.06 1gyx s ILE 3 Cb -0.14 -2.53 -0.00 0.00 -1.06 0.00 0.00 42.46 38.73 1gyx s ILE 3 CO -0.05 0.49 -0.12 -0.62 -0.10 0.00 0.00 174.94 174.54 1gyx s ASP 4 N 0.52 3.87 -0.21 3.58 -1.08 -1.26 -0.60 116.67 121.48 1gyx s ASP 4 Ca -0.05 -0.43 -0.02 0.00 -0.52 0.00 0.00 52.55 51.53 1gyx s ASP 4 Cb -0.15 -1.61 0.01 0.00 -1.46 0.00 0.00 42.92 39.71 1gyx s ASP 4 CO 0.03 0.07 -0.10 -0.63 0.52 0.00 0.00 175.17 175.06 1gyx s ILE 5 N 0.92 2.81 -0.10 4.11 1.01 0.18 -4.97 121.20 125.15 1gyx s ILE 5 Ca -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1gyx s ILE 5 Cb -0.15 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1gyx s ILE 5 CO -0.01 0.42 -0.04 -0.54 0.00 0.00 0.00 174.94 174.77 1gyx s LYS 6 N 1.38 3.10 0.20 2.79 1.02 -1.26 -0.53 119.74 126.44 1gyx s LYS 6 Ca 0.04 -0.51 -0.17 0.00 0.02 0.00 0.00 55.97 55.36 1gyx s LYS 6 Cb -0.14 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 1gyx s LYS 6 CO -0.07 0.54 0.52 0.00 -0.92 0.00 0.00 175.35 175.42 1gyx s PHE 8 N -3.88 2.45 0.59 0.00 0.40 -1.26 -0.21 117.98 116.07 1gyx s PHE 8 Ca 0.10 1.58 -0.20 0.00 -0.60 0.00 0.00 56.93 57.81 1gyx s PHE 8 Cb -0.01 -3.18 -0.03 0.00 0.51 0.00 0.00 43.02 40.31 1gyx s PHE 8 CO -0.02 -1.94 1.30 -2.14 0.70 0.00 0.00 175.22 173.13 1gyx s PRO 9 N -4.41 2.89 0.06 0.24 0.02 -1.25 -4.72 135.00 127.82 1gyx s PRO 9 Ca 0.66 2.09 -0.26 0.00 0.02 0.00 0.00 61.00 63.51 1gyx s PRO 9 Cb -0.20 -2.04 0.07 0.00 0.02 0.00 0.00 34.50 32.34 1gyx s PRO 9 CO 0.49 -1.35 0.61 -0.98 -0.33 0.00 0.00 177.00 175.44 1gyx s ARG 10 N -3.16 1.15 -0.45 5.54 3.03 -1.26 -5.09 118.95 118.71 1gyx s ARG 10 Ca 0.77 -0.16 -0.29 0.00 2.03 0.00 0.00 55.73 58.08 1gyx s ARG 10 Cb -0.37 0.53 0.02 0.00 -1.03 0.00 0.00 34.95 34.10 1gyx s ARG 10 CO 0.42 -0.44 1.25 -1.83 -1.13 0.00 0.00 175.30 173.56 1gyx s GLU 11 N -2.58 3.66 -0.12 3.89 1.03 -1.26 -4.99 118.70 118.34 1gyx s GLU 11 Ca -0.05 0.71 -0.01 0.00 0.03 0.00 0.00 54.97 55.65 1gyx s GLU 11 Cb -0.01 -3.95 0.03 0.00 -0.80 0.00 0.00 34.13 29.40 1gyx s GLU 11 CO -0.03 -1.46 -0.04 -0.51 -1.33 0.00 0.00 175.26 171.90 1gyx s LEU 12 N 4.84 1.07 0.86 1.83 1.43 -1.26 -5.12 118.68 122.33 1gyx s LEU 12 Ca 0.53 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1gyx s LEU 12 Cb -0.10 -0.71 0.17 0.00 0.03 0.00 0.00 46.19 45.58 1gyx s LEU 12 CO 0.32 -0.17 1.19 1.51 0.23 0.00 0.00 176.35 179.43 1gyx s ASP 13 N 1.79 3.65 0.30 2.29 1.47 -1.26 -4.82 116.67 120.08 1gyx s ASP 13 Ca 0.04 0.03 0.01 0.00 1.18 0.00 0.00 52.55 53.81 1gyx s ASP 13 Cb -0.13 -0.22 0.47 0.00 -0.34 0.00 0.00 42.92 42.69 1gyx s ASP 13 CO -0.07 -2.36 1.81 -0.33 0.68 0.00 0.00 175.17 174.89 1gyx h GLU 14 N -1.18 0.64 -0.58 2.11 4.39 -2.01 -0.99 114.58 116.95 1gyx h GLU 14 Ca -0.41 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.07 1gyx h GLU 14 Cb 1.25 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 1gyx h GLU 14 CO 0.40 0.67 0.14 0.37 -1.16 0.00 0.00 179.01 179.43 1gyx h GLN 15 N 0.60 0.94 -0.59 2.33 4.15 -1.99 -0.50 115.11 120.05 1gyx h GLN 15 Ca 0.12 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 1gyx h GLN 15 Cb 0.41 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1gyx h GLN 15 CO 0.02 0.87 0.14 1.96 -1.93 0.00 0.00 178.83 179.88 1gyx h GLN 16 N 0.84 0.94 -0.66 1.69 4.20 -1.82 -1.47 115.11 118.83 1gyx h GLN 16 Ca 0.18 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1gyx h GLN 16 Cb 0.35 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 1gyx h GLN 16 CO 0.00 0.87 0.13 0.87 -0.67 0.00 0.00 178.83 180.03 1gyx h LYS 17 N 0.85 1.08 -0.39 1.46 1.57 -0.95 -1.98 116.57 118.21 1gyx h LYS 17 Ca 0.18 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1gyx h LYS 17 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1gyx h LYS 17 CO 0.00 0.97 -0.10 0.00 -0.57 0.00 0.00 179.45 179.75 1gyx h ALA 18 N 1.11 1.09 -0.39 3.86 0.00 -0.89 -0.79 119.26 123.26 1gyx h ALA 18 Ca 0.21 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1gyx h ALA 18 Cb 0.41 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1gyx h ALA 18 CO 0.01 0.56 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 1gyx h ALA 19 N 1.26 0.55 -0.20 0.00 0.00 -1.06 -0.54 119.26 119.26 1gyx h ALA 19 Ca 0.11 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1gyx h ALA 19 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1gyx h ALA 19 CO 0.03 0.47 0.12 1.25 0.00 0.00 0.00 179.25 181.12 1gyx h LEU 20 N 0.61 0.20 -0.76 0.00 5.85 -1.20 -2.15 115.31 117.86 1gyx h LEU 20 Ca 0.09 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1gyx h LEU 20 Cb 0.70 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1gyx h LEU 20 CO 0.05 0.15 0.48 0.00 -0.34 0.00 0.00 178.44 178.78 1gyx h ALA 21 N 1.09 1.01 -0.67 1.25 0.00 -0.87 -1.33 119.26 119.74 1gyx h ALA 21 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gyx h ALA 21 Cb -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1gyx h ALA 21 CO -0.03 0.25 0.31 0.00 0.00 0.00 0.00 179.25 179.78 1gyx h ALA 22 N 1.34 0.86 -0.35 0.00 0.00 -0.92 -0.70 119.26 119.49 1gyx h ALA 22 Ca 0.31 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1gyx h ALA 22 Cb 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1gyx h ALA 22 CO -0.13 0.44 -0.42 -0.44 0.00 0.00 0.00 179.25 178.70 1gyx h ASP 23 N 0.93 0.94 -0.72 0.00 5.19 -0.98 -1.59 116.42 120.18 1gyx h ASP 23 Ca 0.23 -0.44 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 1gyx h ASP 23 Cb 0.14 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1gyx h ASP 23 CO -0.03 1.22 0.43 0.40 -3.12 0.00 0.00 179.24 178.14 1gyx h ILE 24 N 0.71 1.21 -0.32 0.35 1.08 -1.13 -2.35 117.51 117.06 1gyx h ILE 24 Ca 0.05 -0.48 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1gyx h ILE 24 Cb 1.00 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 1gyx h ILE 24 CO 0.10 0.22 0.18 0.74 -0.69 0.00 0.00 178.15 178.70 1gyx h THR 25 N 0.99 1.03 -0.78 -0.27 2.02 -0.86 -0.80 112.91 114.25 1gyx h THR 25 Ca 0.26 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.31 1gyx h THR 25 Cb -0.02 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1gyx h THR 25 CO -0.05 0.07 0.51 0.44 0.37 0.00 0.00 175.52 176.86 1gyx h ASP 26 N 0.38 0.90 -0.41 4.18 3.32 -1.10 -0.69 116.42 123.00 1gyx h ASP 26 Ca 0.13 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1gyx h ASP 26 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1gyx h ASP 26 CO -0.06 0.66 0.22 0.58 -1.72 0.00 0.00 179.24 178.92 1gyx h VAL 27 N 1.06 1.16 -0.53 -1.35 2.07 -0.91 -2.47 116.25 115.28 1gyx h VAL 27 Ca 0.28 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 1gyx h VAL 27 Cb -0.11 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1gyx h VAL 27 CO -0.06 0.17 0.15 0.40 0.02 0.00 0.00 177.57 178.25 1gyx h ILE 28 N 0.53 1.24 -0.33 4.57 1.08 -0.79 -0.69 117.51 123.11 1gyx h ILE 28 Ca 0.14 -0.83 0.04 0.00 -0.39 0.00 0.00 64.86 63.82 1gyx h ILE 28 Cb 0.08 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 1gyx h ILE 28 CO -0.02 0.31 0.11 0.40 -0.69 0.00 0.00 178.15 178.25 1gyx h ILE 29 N 0.74 0.89 -0.04 -0.67 2.04 -1.12 0.04 117.51 119.40 1gyx h ILE 29 Ca 0.17 -0.08 -0.15 0.00 1.00 0.00 0.00 64.86 65.80 1gyx h ILE 29 Cb 0.31 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1gyx h ILE 29 CO -0.00 0.04 -0.65 0.03 0.00 0.00 0.00 178.15 177.58 1gyx h ARG 30 N 0.24 0.17 0.00 2.37 3.08 -1.10 -2.31 114.38 116.84 1gyx h ARG 30 Ca 0.15 -0.12 -0.32 0.00 0.07 0.00 0.00 59.98 59.75 1gyx h ARG 30 Cb 0.13 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 1gyx h ARG 30 CO -0.16 0.76 -1.95 0.72 -1.07 0.00 0.00 179.97 178.26 1gyx n HIS 31 N -3.82 0.67 -0.18 3.04 8.25 -0.30 -4.36 115.22 118.52 1gyx n HIS 31 Ca -0.02 0.24 0.07 0.00 -0.26 0.00 0.00 57.72 57.75 1gyx n HIS 31 Cb 0.64 -1.12 0.19 0.00 1.12 0.00 0.00 29.99 30.82 1gyx n HIS 31 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1gyx n LEU 32 N -2.97 3.14 -3.73 2.41 4.77 -0.01 -4.97 117.00 115.64 1gyx n LEU 32 Ca -0.23 -1.95 -0.23 0.00 -0.03 0.00 0.00 56.01 53.57 1gyx n LEU 32 Cb 1.09 -0.28 0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1gyx n LEU 32 CO 0.44 0.78 -0.02 -3.20 -1.33 0.00 0.00 177.39 174.06 1gyx n ASN 33 N 0.80 -2.01 -4.33 -1.43 2.85 -0.89 -4.96 115.26 105.29 1gyx n ASN 33 Ca 0.15 -0.80 -0.16 0.00 -0.11 0.00 0.00 54.58 53.66 1gyx n ASN 33 Cb 0.47 -4.09 0.06 0.00 1.24 0.00 0.00 39.78 37.46 1gyx n ASN 33 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1gyx n SER 34 N -3.02 1.64 -4.31 1.20 7.64 -1.06 -5.04 113.62 110.67 1gyx n SER 34 Ca -0.23 -2.20 -0.22 0.00 1.01 0.00 0.00 58.87 57.23 1gyx n SER 34 Cb 0.65 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 1gyx n SER 34 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1gyx s LYS 35 N -4.14 1.20 0.21 1.43 -0.14 -1.26 -4.74 119.74 112.29 1gyx s LYS 35 Ca 0.49 -1.30 -0.10 0.00 -1.36 0.00 0.00 55.97 53.71 1gyx s LYS 35 Cb -0.04 -1.32 0.25 0.00 -1.68 0.00 0.00 37.83 35.05 1gyx s LYS 35 CO 0.31 0.28 1.77 0.22 -0.76 0.00 0.00 175.35 177.17 1gyx h ASP 36 N 3.60 0.34 0.11 2.83 1.82 -1.96 -1.63 116.42 121.52 1gyx h ASP 36 Ca -0.44 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.26 1gyx h ASP 36 Cb 1.20 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.21 1gyx h ASP 36 CO 0.46 0.21 -0.03 0.77 -1.61 0.00 0.00 179.24 179.04 1gyx h SER 37 N 0.50 0.00 1.42 2.28 4.64 -2.03 -2.26 113.55 118.11 1gyx h SER 37 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1gyx h SER 37 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1gyx h SER 37 CO -0.25 0.03 -0.26 0.77 -0.87 0.00 0.00 176.83 176.25 1gyx h SER 38 N 0.00 0.00 -3.35 4.97 4.64 -1.67 -3.47 113.55 114.67 1gyx h SER 38 Ca -0.00 -0.05 -0.59 0.00 -0.47 0.00 0.00 61.79 60.68 1gyx h SER 38 Cb 0.10 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.09 1gyx h SER 38 CO 0.00 0.02 -0.23 -0.63 -0.87 0.00 0.00 176.83 175.13 1gyx s ILE 39 N -3.18 5.24 0.04 0.95 1.01 -0.85 -1.64 121.20 122.77 1gyx s ILE 39 Ca 0.07 0.73 0.07 0.00 0.00 0.00 0.00 60.65 61.52 1gyx s ILE 39 Cb 0.10 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 1gyx s ILE 39 CO 0.67 0.33 -0.19 -0.94 0.00 0.00 0.00 174.94 174.81 1gyx s SER 40 N 0.66 2.31 -0.03 3.58 1.04 -0.61 -4.98 113.70 115.67 1gyx s SER 40 Ca 0.21 -0.50 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 1gyx s SER 40 Cb -0.14 -0.19 0.03 0.00 0.10 0.00 0.00 66.02 65.82 1gyx s SER 40 CO 0.07 0.14 0.02 -0.63 0.98 0.00 0.00 173.24 173.82 1gyx s ILE 41 N -0.80 0.04 -0.01 -1.02 1.01 -1.26 -0.64 121.20 118.53 1gyx s ILE 41 Ca 0.06 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.94 1gyx s ILE 41 Cb -0.09 -0.20 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1gyx s ILE 41 CO 0.02 0.14 -0.02 0.00 0.00 0.00 0.00 174.94 175.07 1gyx s ALA 42 N 1.37 3.19 -0.18 9.38 0.00 0.23 -4.98 121.76 130.76 1gyx s ALA 42 Ca -0.05 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1gyx s ALA 42 Cb -0.13 -1.28 0.04 0.00 0.00 0.00 0.00 23.12 21.76 1gyx s ALA 42 CO -0.03 0.63 -0.07 -1.17 0.00 0.00 0.00 175.76 175.12 1gyx s LEU 43 N -1.43 1.94 -0.18 0.00 2.96 -1.26 -0.65 118.68 120.07 1gyx s LEU 43 Ca 0.18 -0.80 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1gyx s LEU 43 Cb -0.11 -1.05 0.02 0.00 0.50 0.00 0.00 46.19 45.54 1gyx s LEU 43 CO 0.08 -0.18 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.64 1gyx s GLN 44 N 1.53 3.02 -0.17 1.98 -0.21 0.32 -4.98 119.66 121.15 1gyx s GLN 44 Ca -0.01 -0.82 -0.19 0.00 0.02 0.00 0.00 55.36 54.36 1gyx s GLN 44 Cb -0.16 -2.58 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1gyx s GLN 44 CO -0.08 -0.18 0.53 -0.65 -2.12 0.00 0.00 175.29 172.79 1gyx s GLN 45 N 1.23 4.26 -0.15 2.91 -0.21 -1.26 -2.10 119.66 124.33 1gyx s GLN 45 Ca 0.03 0.48 0.02 0.00 0.02 0.00 0.00 55.36 55.92 1gyx s GLN 45 Cb -0.13 -3.52 0.01 0.00 1.00 0.00 0.00 33.01 30.37 1gyx s GLN 45 CO -0.11 -0.05 -0.21 0.42 -2.12 0.00 0.00 175.29 173.22 1gyx s ILE 46 N 1.30 2.03 0.60 1.08 -1.09 0.70 -4.90 121.20 120.93 1gyx s ILE 46 Ca 0.26 -0.95 -0.20 0.00 -2.23 0.00 0.00 60.65 57.54 1gyx s ILE 46 Cb -0.16 -1.81 -0.03 0.00 -1.58 0.00 0.00 42.46 38.89 1gyx s ILE 46 CO 0.10 0.54 1.30 -1.10 -1.23 0.00 0.00 174.94 174.55 1gyx s GLN 47 N 0.95 2.85 0.33 2.79 -1.52 -1.26 -3.88 119.66 119.93 1gyx s GLN 47 Ca -0.04 2.07 0.07 0.00 -1.95 0.00 0.00 55.36 55.51 1gyx s GLN 47 Cb -0.15 -2.01 0.74 0.00 -0.22 0.00 0.00 33.01 31.37 1gyx s GLN 47 CO -0.05 -1.37 1.86 -1.35 -0.25 0.00 0.00 175.29 174.14 1gyx h PRO 48 N 0.95 0.76 -0.09 2.91 0.11 -1.99 -0.16 132.00 134.49 1gyx h PRO 48 Ca -0.51 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.58 1gyx h PRO 48 Cb 1.32 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1gyx h PRO 48 CO 0.55 0.50 0.08 0.93 -0.21 0.00 0.00 178.00 179.85 1gyx h GLU 49 N 0.78 0.00 -0.59 1.05 3.07 -2.06 -1.79 114.58 115.05 1gyx h GLU 49 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1gyx h GLU 49 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1gyx h GLU 49 CO -0.22 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 177.82 1gyx n SER 50 N -4.21 3.53 0.13 1.42 7.64 -0.08 -4.22 113.62 117.84 1gyx n SER 50 Ca -0.01 -1.99 -0.01 0.00 1.01 0.00 0.00 58.87 57.88 1gyx n SER 50 Cb 0.19 -0.39 0.13 0.00 -1.01 0.00 0.00 64.21 63.13 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 4.05 0.00 -0.87 1.43 2.91 -1.29 -3.11 115.95 119.07 1gyx h TRP 51 Ca 0.00 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.12 1gyx h TRP 51 Cb 0.92 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.50 1gyx h TRP 51 CO 0.39 0.64 0.56 0.37 -1.03 0.00 0.00 178.44 179.37 1gyx h GLN 52 N 0.00 0.83 -0.28 2.65 5.75 -1.77 -0.02 115.11 122.26 1gyx h GLN 52 Ca -0.01 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1gyx h GLN 52 Cb 1.22 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1gyx h GLN 52 CO 0.08 0.55 -0.07 0.00 -2.65 0.00 0.00 178.83 176.74 1gyx h ALA 53 N 1.56 1.35 -0.21 3.38 0.00 -1.86 0.31 119.26 123.80 1gyx h ALA 53 Ca 0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1gyx h ALA 53 Cb 0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1gyx h ALA 53 CO -0.17 0.44 -0.24 0.82 0.00 0.00 0.00 179.25 180.10 1gyx h ILE 54 N 0.43 1.33 -0.20 0.00 1.08 -1.19 -1.12 117.51 117.85 1gyx h ILE 54 Ca 0.09 -1.42 0.04 0.00 -0.39 0.00 0.00 64.86 63.18 1gyx h ILE 54 Cb 0.40 1.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.86 1gyx h ILE 54 CO 0.02 0.44 -0.03 -0.25 -0.69 0.00 0.00 178.15 177.63 1gyx h TRP 55 N 0.23 -0.07 -0.36 1.37 2.91 -0.73 0.37 115.95 119.66 1gyx h TRP 55 Ca 0.03 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 59.93 1gyx h TRP 55 Cb 0.80 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 29.50 1gyx h TRP 55 CO 0.08 -0.07 -0.31 -0.44 -1.03 0.00 0.00 178.44 176.67 1gyx h ASP 56 N 0.02 0.82 0.34 2.65 3.32 -0.88 0.86 116.42 123.54 1gyx h ASP 56 Ca 0.09 -0.34 -0.32 0.00 0.02 0.00 0.00 57.03 56.49 1gyx h ASP 56 Cb 0.14 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1gyx h ASP 56 CO -0.19 1.07 -1.91 0.00 -1.72 0.00 0.00 179.24 176.49 1gyx n ALA 57 N -2.51 1.44 -0.04 3.45 0.00 -0.43 -4.43 120.51 117.98 1gyx n ALA 57 Ca -0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 53.44 52.46 1gyx n ALA 57 Cb 0.49 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.03 0.19 -0.05 0.00 -0.58 0.07 -4.75 120.64 112.50 1gyx n GLU 58 Ca -0.23 0.07 -0.01 0.00 -0.42 0.00 0.00 57.16 56.58 1gyx n GLU 58 Cb 1.07 -0.93 -0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1gyx n GLU 58 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1gyx h ILE 59 N -0.21 0.00 -0.25 -3.67 2.04 -1.22 -3.30 117.51 110.89 1gyx h ILE 59 Ca -0.21 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.71 1gyx h ILE 59 Cb 1.23 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1gyx h ILE 59 CO -0.10 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.10 1gyx h ALA 60 N -1.03 0.26 0.00 1.87 0.00 -1.09 -2.35 119.26 116.91 1gyx h ALA 60 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1gyx h ALA 60 Cb 0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gyx h ALA 60 CO 0.00 -0.37 -0.18 -1.35 0.00 0.00 0.00 179.25 177.35 1gyx h PRO 61 N 0.14 0.00 -0.33 0.00 0.11 -1.77 -2.24 132.00 127.92 1gyx h PRO 61 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1gyx h PRO 61 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1gyx h PRO 61 CO -0.15 0.18 0.00 1.04 -0.21 0.00 0.00 178.00 178.86 1gyx n GLN 62 N -4.17 2.03 -0.35 1.05 6.02 -0.98 -4.51 117.38 116.48 1gyx n GLN 62 Ca -0.02 -1.58 0.15 0.00 -0.01 0.00 0.00 57.00 55.54 1gyx n GLN 62 Cb 0.25 -1.41 0.36 0.00 1.02 0.00 0.00 30.24 30.46 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 2.90 0.65 0.00 -1.09 4.05 -0.89 0.22 114.93 120.78 1gyx h MET 63 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1gyx h MET 63 Cb 0.65 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1gyx h MET 63 CO 0.00 0.43 0.00 1.05 0.23 0.00 0.00 176.91 178.62 1gyx h GLU 64 N 0.67 0.00 0.00 0.39 4.11 -1.83 -3.16 114.58 114.76 1gyx h GLU 64 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.04 1gyx h GLU 64 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1gyx h GLU 64 CO -0.42 0.00 -0.31 0.00 0.07 0.00 0.00 179.01 178.34 1gyx n ALA 65 N -2.05 1.75 -1.63 1.06 0.00 0.54 -5.07 120.51 115.11 1gyx n ALA 65 Ca -0.02 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.98 1gyx n ALA 65 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.56 1gyx n ALA 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1gyx n LEU 66 N -1.03 2.45 0.18 0.00 4.77 0.07 -4.87 117.00 118.56 1gyx n LEU 66 Ca 0.00 1.19 0.12 0.00 -0.03 0.00 0.00 56.01 57.29 1gyx n LEU 66 Cb 0.00 -1.36 0.21 0.00 -2.33 0.00 0.00 43.42 39.94 1gyx n LEU 66 CO 0.00 -1.06 0.75 0.16 -1.33 0.00 0.00 177.39 175.91 1gyx h ILE 67 N 2.19 0.00 -3.13 -0.08 3.07 -1.93 -3.41 117.51 114.22 1gyx h ILE 67 Ca -0.42 -0.87 -0.34 0.00 1.55 0.00 0.00 64.86 64.79 1gyx h ILE 67 Cb 1.32 1.81 -0.37 0.00 -0.27 0.00 0.00 36.82 39.31 1gyx h ILE 67 CO 0.61 0.00 -0.68 -0.75 -1.05 0.00 0.00 178.15 176.28 1gyx s LYS 68 N -3.20 0.01 0.33 0.16 2.20 -1.26 -5.15 119.74 112.83 1gyx s LYS 68 Ca 0.07 0.42 -0.18 0.00 -0.36 0.00 0.00 55.97 55.92 1gyx s LYS 68 Cb 0.07 -0.56 -0.09 0.00 -1.51 0.00 0.00 37.83 35.74 1gyx s LYS 68 CO 0.66 -0.37 0.79 0.15 -0.36 0.00 0.00 175.35 176.22 1gyx s LYS 69 N 2.24 4.12 0.78 4.03 1.02 -1.26 -5.05 119.74 125.63 1gyx s LYS 69 Ca 0.04 0.83 -0.13 0.00 0.02 0.00 0.00 55.97 56.73 1gyx s LYS 69 Cb -0.13 -2.48 0.07 0.00 -0.52 0.00 0.00 37.83 34.77 1gyx s LYS 69 CO -0.05 0.17 1.17 -1.25 -0.92 0.00 0.00 175.35 174.46 1gyx s PRO 70 N -2.79 1.88 -0.11 -1.68 0.04 -1.26 -4.94 135.00 126.14 1gyx s PRO 70 Ca 0.53 1.60 0.12 0.00 0.04 0.00 0.00 61.00 63.30 1gyx s PRO 70 Cb -0.12 -1.82 0.55 0.00 0.04 0.00 0.00 34.50 33.15 1gyx s PRO 70 CO 0.17 -2.00 1.40 0.41 0.04 0.00 0.00 177.00 177.02 1gyx n GLY 71 N 0.09 2.17 3.14 0.56 0.00 -1.26 -4.89 105.19 104.99 1gyx n GLY 71 Ca 0.12 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 1gyx n GLY 71 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1gyx s TYR 72 N -1.90 0.73 0.02 1.61 1.13 -1.26 -5.17 117.35 112.51 1gyx s TYR 72 Ca 0.38 -1.16 0.06 0.00 -1.41 0.00 0.00 57.07 54.94 1gyx s TYR 72 Cb 0.26 -0.43 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1gyx s TYR 72 CO 0.16 -0.48 -0.17 -1.54 -2.51 0.00 0.00 175.55 171.01 1gyx s SER 73 N -3.00 2.06 -0.26 -0.18 1.04 -1.26 -5.05 113.70 107.04 1gyx s SER 73 Ca 0.18 -0.41 0.22 0.00 0.48 0.00 0.00 55.95 56.42 1gyx s SER 73 Cb 0.07 -0.19 0.51 0.00 0.10 0.00 0.00 66.02 66.51 1gyx s SER 73 CO -0.02 0.15 1.11 0.23 0.98 0.00 0.00 173.24 175.69 1gyx n MET 74 N 2.22 1.87 -2.22 4.02 2.81 -1.26 -5.08 117.12 119.48 1gyx n MET 74 Ca -0.16 -3.56 -0.42 0.00 -1.81 0.00 0.00 57.70 51.75 1gyx n MET 74 Cb 0.54 -1.66 -0.03 0.00 -0.71 0.00 0.00 33.22 31.36 1gyx n MET 74 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1gyx s ASN 75 N -3.79 6.87 0.00 7.83 0.02 -1.26 -4.95 114.94 119.66 1gyx s ASN 75 Ca 0.29 2.22 0.10 0.00 -1.02 0.00 0.00 52.86 54.44 1gyx s ASN 75 Cb 0.33 -2.58 0.08 0.00 0.02 0.00 0.00 41.25 39.10 1gyx s ASN 75 CO -0.03 -0.65 0.80 0.00 0.02 0.00 0.00 177.10 177.24