#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxh n GLU 2 N 0.00 0.00 -1.57 2.12 4.71 -1.26 -4.65 120.64 119.99 1gxh n GLU 2 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 57.16 56.66 1gxh n GLU 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 1gxh n GLU 2 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1gxh n LEU 3 N 0.00 1.44 -4.69 -4.62 4.77 -1.26 -4.75 117.00 107.89 1gxh n LEU 3 Ca 0.00 1.15 -0.44 0.00 -0.03 0.00 0.00 56.01 56.69 1gxh n LEU 3 Cb 0.00 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1gxh n LEU 3 CO 0.00 -1.38 1.41 0.29 -1.33 0.00 0.00 177.39 176.38 1gxh n LYS 4 N 1.62 2.59 0.00 3.23 4.76 -1.26 -4.80 118.16 124.30 1gxh n LYS 4 Ca 0.15 0.94 0.11 0.00 -2.87 0.00 0.00 58.31 56.63 1gxh n LYS 4 Cb 0.25 -2.80 0.60 0.00 -1.84 0.00 0.00 35.03 31.24 1gxh n LYS 4 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1gxh n ASN 5 N 5.08 0.00 -3.71 4.39 5.03 -1.26 -4.68 115.26 120.11 1gxh n ASN 5 Ca 0.18 -0.39 -0.06 0.00 0.87 0.00 0.00 54.58 55.18 1gxh n ASN 5 Cb 0.34 -0.13 -0.02 0.00 -1.02 0.00 0.00 39.78 38.96 1gxh n ASN 5 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1gxh s SER 6 N -2.25 -0.26 0.45 6.41 0.01 -1.26 -5.02 113.70 111.77 1gxh s SER 6 Ca 0.27 -0.35 0.16 0.00 1.31 0.00 0.00 55.95 57.34 1gxh s SER 6 Cb 0.15 0.54 1.10 0.00 0.21 0.00 0.00 66.02 68.02 1gxh s SER 6 CO 0.28 -0.97 1.97 0.40 0.41 0.00 0.00 173.24 175.33 1gxh h ILE 7 N 2.00 0.85 0.00 1.44 1.08 -1.83 -0.82 117.51 120.22 1gxh h ILE 7 Ca -0.23 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 1gxh h ILE 7 Cb 1.24 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1gxh h ILE 7 CO 0.27 0.06 -0.04 -1.28 -0.69 0.00 0.00 178.15 176.47 1gxh h SER 8 N 0.34 0.00 0.91 1.72 0.87 -1.92 -1.79 113.55 113.67 1gxh h SER 8 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1gxh h SER 8 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1gxh h SER 8 CO -0.07 0.04 -0.69 -0.78 -0.53 0.00 0.00 176.83 174.79 1gxh h ASP 9 N 0.00 0.00 -1.09 6.23 3.58 -1.54 -3.38 116.42 120.22 1gxh h ASP 9 Ca -0.00 -0.17 -0.66 0.00 0.42 0.00 0.00 57.03 56.61 1gxh h ASP 9 Cb 0.61 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.53 1gxh h ASP 9 CO 0.01 0.09 1.81 -1.22 -2.88 0.00 0.00 179.24 177.04 1gxh n TYR 10 N -2.24 2.26 -0.94 0.28 4.01 -0.67 -4.91 117.16 114.94 1gxh n TYR 10 Ca 0.03 -2.55 -0.30 0.00 -0.16 0.00 0.00 57.90 54.91 1gxh n TYR 10 Cb 0.46 -1.71 -0.00 0.00 -0.31 0.00 0.00 39.34 37.78 1gxh n TYR 10 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1gxh n THR 11 N 1.52 0.48 -0.33 -0.72 -2.24 -1.26 -3.65 114.28 108.08 1gxh n THR 11 Ca 0.59 -0.36 0.28 0.00 -2.27 0.00 0.00 64.05 62.28 1gxh n THR 11 Cb 0.34 0.00 0.60 0.00 -2.10 0.00 0.00 70.33 69.18 1gxh n THR 11 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1gxh h GLU 12 N 0.24 0.23 0.21 -0.78 4.81 -1.48 0.44 114.58 118.24 1gxh h GLU 12 Ca -0.27 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.63 1gxh h GLU 12 Cb 1.05 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.40 1gxh h GLU 12 CO 0.34 0.15 -1.46 1.15 -0.73 0.00 0.00 179.01 178.46 1gxh h THR 13 N 0.23 1.29 -0.35 0.32 2.02 -1.86 -2.59 112.91 111.98 1gxh h THR 13 Ca 0.60 -2.78 -0.07 0.00 0.77 0.00 0.00 66.41 64.93 1gxh h THR 13 Cb 1.84 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 71.22 1gxh h THR 13 CO -0.21 0.84 -0.06 -0.33 0.37 0.00 0.00 175.52 176.14 1gxh h GLU 14 N 0.12 0.66 -0.79 6.66 5.08 -0.51 -0.77 114.58 125.04 1gxh h GLU 14 Ca -0.24 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 57.84 1gxh h GLU 14 Cb 2.11 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.28 1gxh h GLU 14 CO 0.24 0.81 0.32 0.35 -1.00 0.00 0.00 179.01 179.73 1gxh h PHE 15 N 0.46 1.19 -0.48 4.33 3.57 -0.97 -1.80 116.94 123.24 1gxh h PHE 15 Ca 0.09 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.60 1gxh h PHE 15 Cb 0.55 -0.36 -0.09 0.00 2.79 0.00 0.00 35.95 38.84 1gxh h PHE 15 CO 0.05 0.90 -0.08 -0.22 -2.23 0.00 0.00 178.31 176.72 1gxh h LYS 16 N 1.14 0.03 -0.99 1.11 1.63 -1.17 0.43 116.57 118.75 1gxh h LYS 16 Ca 0.26 -0.00 0.08 0.00 -0.85 0.00 0.00 60.65 60.14 1gxh h LYS 16 Cb 0.21 -0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.76 1gxh h LYS 16 CO -0.02 0.02 0.63 -0.22 -3.45 0.00 0.00 179.45 176.41 1gxh h LYS 17 N 0.03 1.07 -0.10 1.90 3.11 -0.26 0.55 116.57 122.88 1gxh h LYS 17 Ca 0.24 -0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.01 1gxh h LYS 17 Cb 0.36 -0.24 -0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1gxh h LYS 17 CO -0.47 0.71 0.03 0.97 -2.81 0.00 0.00 179.45 177.88 1gxh h ILE 18 N 1.10 1.17 -0.03 2.00 2.10 -1.03 -0.41 117.51 122.41 1gxh h ILE 18 Ca 0.45 -0.52 -0.10 0.00 1.08 0.00 0.00 64.86 65.77 1gxh h ILE 18 Cb 0.27 1.33 -0.01 0.00 -1.09 0.00 0.00 36.82 37.32 1gxh h ILE 18 CO -0.20 0.15 -0.45 0.40 -1.08 0.00 0.00 178.15 176.97 1gxh h ILE 19 N -0.02 1.33 0.07 2.19 1.08 0.51 -2.36 117.51 120.30 1gxh h ILE 19 Ca 0.03 -1.57 -0.28 0.00 -0.39 0.00 0.00 64.86 62.65 1gxh h ILE 19 Cb 0.21 1.81 0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1gxh h ILE 19 CO -0.00 0.45 -1.15 -0.08 -0.69 0.00 0.00 178.15 176.68 1gxh h GLU 20 N 0.05 0.65 -0.77 2.37 4.81 -0.01 -2.97 114.58 118.72 1gxh h GLU 20 Ca 0.00 -0.80 0.13 0.00 -0.13 0.00 0.00 59.36 58.56 1gxh h GLU 20 Cb 0.82 0.25 -0.13 0.00 0.63 0.00 0.00 28.75 30.31 1gxh h GLU 20 CO 0.06 1.36 -0.36 0.22 -0.73 0.00 0.00 179.01 179.56 1gxh h ASP 21 N 0.31 -1.28 0.72 1.04 1.82 -0.53 0.33 116.42 118.84 1gxh h ASP 21 Ca -0.16 0.26 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 1gxh h ASP 21 Cb 1.82 0.66 0.01 0.00 0.68 0.00 0.00 39.33 42.49 1gxh h ASP 21 CO 0.22 -0.30 -0.35 0.16 -1.61 0.00 0.00 179.24 177.37 1gxh h ILE 22 N -0.09 0.00 -0.76 2.25 3.07 -1.63 0.54 117.51 120.89 1gxh h ILE 22 Ca 0.28 -0.28 0.14 0.00 1.55 0.00 0.00 64.86 66.55 1gxh h ILE 22 Cb 0.57 0.00 -0.05 0.00 -0.27 0.00 0.00 36.82 37.07 1gxh h ILE 22 CO -0.82 0.00 0.51 0.40 -1.05 0.00 0.00 178.15 177.19 1gxh h ILE 23 N -1.25 0.83 0.25 0.16 1.08 -1.29 -1.20 117.51 116.08 1gxh h ILE 23 Ca -0.10 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 1gxh h ILE 23 Cb 0.74 0.30 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1gxh h ILE 23 CO 0.16 0.09 -0.12 0.78 -0.69 0.00 0.00 178.15 178.37 1gxh h ASN 24 N 0.49 -0.29 -1.15 1.72 2.35 -0.99 -3.49 115.58 114.21 1gxh h ASN 24 Ca 0.37 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1gxh h ASN 24 Cb 0.76 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1gxh h ASN 24 CO -0.13 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 1gxh n GLU 26 N -0.49 1.88 0.00 0.00 2.13 -0.30 -4.52 120.64 119.35 1gxh n GLU 26 Ca 0.00 -1.14 0.00 0.00 0.66 0.00 0.00 57.16 56.68 1gxh n GLU 26 Cb 0.19 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1gxh n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gxh n GLY 27 N 3.21 -1.36 3.73 8.31 0.00 -1.26 -5.00 105.19 112.82 1gxh n GLY 27 Ca 0.40 0.47 -0.05 0.00 0.00 0.00 0.00 46.02 46.85 1gxh n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gxh s ASP 28 N -4.00 -0.24 0.22 1.61 2.15 -1.26 -5.01 116.67 110.14 1gxh s ASP 28 Ca 0.00 -0.38 -0.12 0.00 0.43 0.00 0.00 52.55 52.48 1gxh s ASP 28 Cb 0.00 0.53 0.28 0.00 -0.30 0.00 0.00 42.92 43.43 1gxh s ASP 28 CO 0.00 -0.97 1.63 -0.33 -0.17 0.00 0.00 175.17 175.34 1gxh h GLU 29 N 2.00 0.03 -0.87 4.34 5.08 -2.00 -1.41 114.58 121.76 1gxh h GLU 29 Ca -0.23 -0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1gxh h GLU 29 Cb 1.24 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 1gxh h GLU 29 CO 0.26 0.02 0.56 0.87 -1.00 0.00 0.00 179.01 179.73 1gxh h LYS 30 N 0.04 0.80 -0.46 2.33 1.79 -1.98 -0.98 116.57 118.12 1gxh h LYS 30 Ca 0.32 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.64 1gxh h LYS 30 Cb 0.51 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1gxh h LYS 30 CO -0.63 0.53 -0.14 -0.22 -1.08 0.00 0.00 179.45 177.92 1gxh h LYS 31 N 0.83 0.85 0.45 3.15 3.11 -1.65 0.38 116.57 123.69 1gxh h LYS 31 Ca 0.41 -0.31 -0.02 0.00 -2.81 0.00 0.00 60.65 57.92 1gxh h LYS 31 Cb 0.45 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.63 1gxh h LYS 31 CO -0.17 0.94 -0.21 1.96 -2.81 0.00 0.00 179.45 179.15 1gxh h GLN 32 N 0.76 -0.58 -0.98 1.90 4.20 -1.22 -2.09 115.11 117.10 1gxh h GLN 32 Ca 0.12 0.04 0.17 0.00 0.06 0.00 0.00 58.65 59.04 1gxh h GLN 32 Cb 0.65 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.47 1gxh h GLN 32 CO 0.05 -0.34 0.61 0.22 -0.67 0.00 0.00 178.83 178.70 1gxh h ASP 33 N -0.68 0.77 -0.22 1.46 3.58 -0.47 0.33 116.42 121.20 1gxh h ASP 33 Ca -0.06 0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1gxh h ASP 33 Cb 0.50 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 1gxh h ASP 33 CO 0.10 0.33 -0.31 0.44 -2.88 0.00 0.00 179.24 176.92 1gxh h ASP 34 N 0.78 0.65 -0.95 2.28 3.32 -0.30 -1.13 116.42 121.06 1gxh h ASP 34 Ca 0.53 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1gxh h ASP 34 Cb 0.81 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 1gxh h ASP 34 CO -0.31 1.03 0.57 -1.13 -1.72 0.00 0.00 179.24 177.68 1gxh h ASN 35 N 0.28 1.15 -0.39 6.45 -1.24 -0.62 -3.17 115.58 118.04 1gxh h ASN 35 Ca 0.02 -0.07 -0.15 0.00 0.71 0.00 0.00 56.30 56.81 1gxh h ASN 35 Cb 0.88 -0.29 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 1gxh h ASN 35 CO 0.07 0.88 -0.34 -0.07 -1.29 0.00 0.00 177.43 176.68 1gxh h LEU 36 N 1.31 0.99 -0.20 0.34 3.38 0.85 0.38 115.31 122.36 1gxh h LEU 36 Ca 0.34 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.93 1gxh h LEU 36 Cb -0.05 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.37 1gxh h LEU 36 CO -0.06 1.22 -0.20 -0.08 0.09 0.00 0.00 178.44 179.41 1gxh h GLU 37 N 0.78 -0.21 -0.29 1.13 4.22 -1.49 -2.48 114.58 116.24 1gxh h GLU 37 Ca 0.07 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1gxh h GLU 37 Cb 0.92 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1gxh h GLU 37 CO 0.09 -0.14 0.13 1.25 -2.18 0.00 0.00 179.01 178.16 1gxh h HIS 38 N -0.22 0.43 0.00 0.92 2.76 -0.76 0.24 115.15 118.52 1gxh h HIS 38 Ca 0.12 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1gxh h HIS 38 Cb 0.40 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1gxh h HIS 38 CO -0.34 0.40 -0.00 0.35 -1.30 0.00 0.00 177.93 177.04 1gxh h PHE 39 N 0.33 0.00 0.30 5.26 3.57 -0.41 0.16 116.94 126.14 1gxh h PHE 39 Ca 0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1gxh h PHE 39 Cb 0.14 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1gxh h PHE 39 CO -0.02 0.00 -0.14 0.82 -2.23 0.00 0.00 178.31 176.74 1gxh h ILE 40 N 0.00 0.34 -0.21 1.41 5.03 -0.64 -3.38 117.51 120.06 1gxh h ILE 40 Ca -0.00 -0.81 0.04 0.00 -0.12 0.00 0.00 64.86 63.97 1gxh h ILE 40 Cb 0.01 0.57 -0.04 0.00 -3.03 0.00 0.00 36.82 34.32 1gxh h ILE 40 CO 0.00 0.09 -0.06 -1.28 -0.68 0.00 0.00 178.15 176.22 1gxh h SER 41 N -1.02 -0.21 0.36 1.72 0.87 0.22 -2.49 113.55 113.01 1gxh h SER 41 Ca -0.04 0.06 -0.22 0.00 -1.23 0.00 0.00 61.79 60.37 1gxh h SER 41 Cb 0.45 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1gxh h SER 41 CO 0.07 -0.07 -0.91 -0.37 -0.53 0.00 0.00 176.83 175.01 1gxh h VAL 42 N -0.01 1.41 -4.04 2.23 -1.51 -1.48 -3.46 116.25 109.39 1gxh h VAL 42 Ca 0.10 -2.44 -0.49 0.00 -1.23 0.00 0.00 66.70 62.64 1gxh h VAL 42 Cb 0.16 2.39 0.02 0.00 -2.13 0.00 0.00 31.29 31.74 1gxh h VAL 42 CO -0.22 0.73 0.29 -0.89 -1.23 0.00 0.00 177.57 176.25 1gxh s THR 43 N -3.29 4.66 -2.40 7.19 2.01 -0.94 -3.63 115.64 119.24 1gxh s THR 43 Ca -0.05 0.92 0.24 0.00 0.31 0.00 0.00 61.69 63.11 1gxh s THR 43 Cb 0.09 -3.76 0.18 0.00 0.01 0.00 0.00 72.50 69.02 1gxh s THR 43 CO 0.86 -0.73 1.31 -0.62 -0.69 0.00 0.00 174.62 174.75 1gxh n GLU 44 N -1.75 1.61 -2.14 4.92 4.71 -1.26 -4.90 120.64 121.83 1gxh n GLU 44 Ca 0.05 -1.24 -0.41 0.00 -0.01 0.00 0.00 57.16 55.54 1gxh n GLU 44 Cb 0.54 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 29.47 1gxh n GLU 44 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1gxh s HIS 45 N -2.25 1.94 0.40 -0.32 2.46 -1.26 -4.91 115.29 111.35 1gxh s HIS 45 Ca 0.25 0.65 0.09 0.00 0.47 0.00 0.00 55.06 56.53 1gxh s HIS 45 Cb 0.19 -4.19 0.84 0.00 -0.13 0.00 0.00 32.58 29.29 1gxh s HIS 45 CO 0.44 -2.43 1.97 -1.00 -2.47 0.00 0.00 174.74 171.25 1gxh h PRO 46 N 12.83 0.31 0.00 2.88 0.13 -1.97 -2.55 132.00 143.64 1gxh h PRO 46 Ca -0.29 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1gxh h PRO 46 Cb 1.14 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1gxh h PRO 46 CO 1.12 0.35 0.00 0.77 -0.23 0.00 0.00 178.00 180.01 1gxh h SER 47 N 0.31 0.00 0.00 1.44 0.02 -2.00 -3.48 113.55 109.84 1gxh h SER 47 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1gxh h SER 47 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gxh h SER 47 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1gxh n GLY 48 N 0.24 2.77 0.16 -3.77 0.00 -0.96 -2.35 105.19 101.28 1gxh n GLY 48 Ca 0.02 0.12 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1gxh n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gxh n SER 49 N 2.85 0.37 -0.34 1.61 7.64 -1.26 -2.15 113.62 122.33 1gxh n SER 49 Ca 0.00 0.58 0.11 0.00 1.01 0.00 0.00 58.87 60.58 1gxh n SER 49 Cb 0.00 -0.54 0.31 0.00 -1.01 0.00 0.00 64.21 62.96 1gxh n SER 49 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1gxh h ASP 50 N 0.00 0.81 0.64 6.43 3.32 -1.84 -0.19 116.42 125.58 1gxh h ASP 50 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1gxh h ASP 50 Cb 0.52 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1gxh h ASP 50 CO 0.00 0.35 0.00 0.18 -1.72 0.00 0.00 179.24 178.05 1gxh n LEU 51 N -4.68 0.40 -0.09 1.55 4.32 -0.92 -0.32 117.00 117.27 1gxh n LEU 51 Ca 0.21 0.60 -0.10 0.00 -0.02 0.00 0.00 56.01 56.70 1gxh n LEU 51 Cb 0.50 -0.55 -0.12 0.00 -1.62 0.00 0.00 43.42 41.63 1gxh n LEU 51 CO 0.25 -0.44 -1.09 -0.38 -1.22 0.00 0.00 177.39 174.51 1gxh n ILE 52 N -1.95 1.14 -0.02 -0.08 5.41 -0.24 -4.61 119.36 119.02 1gxh n ILE 52 Ca 0.03 -0.60 0.01 0.00 1.00 0.00 0.00 62.75 63.19 1gxh n ILE 52 Cb 0.21 -0.82 -0.06 0.00 -0.71 0.00 0.00 39.64 38.25 1gxh n ILE 52 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gxh n TYR 53 N -2.80 0.00 -3.03 1.39 4.02 -0.30 -4.67 117.16 111.77 1gxh n TYR 53 Ca -0.30 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.36 1gxh n TYR 53 Cb 0.98 -0.25 -0.03 0.00 -0.02 0.00 0.00 39.34 40.01 1gxh n TYR 53 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1gxh n TYR 54 N -1.96 2.14 -2.63 -0.72 4.01 0.57 -5.04 117.16 113.53 1gxh n TYR 54 Ca -0.05 -3.85 -0.32 0.00 -0.16 0.00 0.00 57.90 53.51 1gxh n TYR 54 Cb 0.40 -0.44 -0.05 0.00 -0.31 0.00 0.00 39.34 38.94 1gxh n TYR 54 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1gxh s PRO 55 N -2.98 4.08 0.24 -0.72 0.04 -1.23 -4.70 135.00 129.73 1gxh s PRO 55 Ca 0.44 1.01 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1gxh s PRO 55 Cb 0.32 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1gxh s PRO 55 CO -0.11 -0.14 0.18 -1.21 0.04 0.00 0.00 177.00 175.77 1gxh s GLU 56 N -3.61 1.37 -0.69 4.56 2.02 -1.26 -4.91 118.70 116.18 1gxh s GLU 56 Ca 0.60 -1.74 -0.02 0.00 0.02 0.00 0.00 54.97 53.83 1gxh s GLU 56 Cb -0.09 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.43 1gxh s GLU 56 CO 0.22 -0.47 0.58 0.41 0.02 0.00 0.00 175.26 176.02 1gxh n GLY 57 N -0.38 0.05 2.60 -1.39 0.00 -1.26 -1.38 105.19 103.43 1gxh n GLY 57 Ca 0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 1gxh n GLY 57 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gxh n ASN 58 N -1.75 -5.29 -4.10 1.61 5.15 -1.26 -4.92 115.26 104.70 1gxh n ASN 58 Ca -0.10 0.37 -0.41 0.00 -0.60 0.00 0.00 54.58 53.84 1gxh n ASN 58 Cb 0.57 -4.11 -0.02 0.00 -0.53 0.00 0.00 39.78 35.69 1gxh n ASN 58 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1gxh n ASN 59 N -0.95 3.85 0.00 1.20 5.15 -0.48 -3.40 115.26 120.64 1gxh n ASN 59 Ca -0.15 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.01 1gxh n ASN 59 Cb 0.57 -1.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.22 1gxh n ASN 59 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1gxh n ASP 60 N 8.27 0.00 0.03 1.20 5.75 -1.26 -4.22 116.55 126.32 1gxh n ASP 60 Ca 0.50 0.00 -0.19 0.00 -0.01 0.00 0.00 54.79 55.09 1gxh n ASP 60 Cb 0.43 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.39 1gxh n ASP 60 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1gxh h GLY 61 N 0.00 0.44 -3.03 6.12 0.00 -1.99 -3.49 103.07 101.12 1gxh h GLY 61 Ca 0.00 -0.89 0.27 0.00 0.00 0.00 0.00 47.33 46.71 1gxh h GLY 61 CO 0.00 0.79 0.75 -0.56 0.00 0.00 0.00 176.54 177.52 1gxh s SER 62 N -6.89 -0.12 0.40 0.19 0.01 -1.26 -5.01 113.70 101.02 1gxh s SER 62 Ca -0.13 -0.13 0.24 0.00 1.31 0.00 0.00 55.95 57.25 1gxh s SER 62 Cb 0.03 0.22 1.33 0.00 0.21 0.00 0.00 66.02 67.81 1gxh s SER 62 CO 0.84 -0.39 1.73 1.55 0.41 0.00 0.00 173.24 177.38 1gxh h PRO 63 N 2.00 0.00 -0.62 12.44 0.13 -1.95 -0.64 132.00 143.36 1gxh h PRO 63 Ca -0.23 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.98 1gxh h PRO 63 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1gxh h PRO 63 CO 0.27 0.00 0.41 0.93 -0.23 0.00 0.00 178.00 179.38 1gxh h GLU 64 N 0.00 0.53 0.00 0.86 4.39 -1.95 0.02 114.58 118.42 1gxh h GLU 64 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1gxh h GLU 64 Cb 0.14 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1gxh h GLU 64 CO 0.00 0.35 0.00 0.00 -1.16 0.00 0.00 179.01 178.20 1gxh h ALA 65 N 1.67 1.00 0.03 3.43 0.00 -1.41 0.17 119.26 124.15 1gxh h ALA 65 Ca 0.28 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 1gxh h ALA 65 Cb 0.38 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gxh h ALA 65 CO -0.08 0.00 -0.99 0.28 0.00 0.00 0.00 179.25 178.46 1gxh h VAL 66 N 0.00 1.49 -0.60 0.00 2.07 -1.17 -2.73 116.25 115.33 1gxh h VAL 66 Ca 0.00 -2.75 -0.05 0.00 0.82 0.00 0.00 66.70 64.72 1gxh h VAL 66 Cb 0.46 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 1gxh h VAL 66 CO 0.00 0.80 0.19 0.40 0.02 0.00 0.00 177.57 178.99 1gxh h ILE 67 N 0.12 1.24 -0.67 4.57 5.03 -0.85 -0.16 117.51 126.78 1gxh h ILE 67 Ca -0.07 -0.81 0.07 0.00 -0.12 0.00 0.00 64.86 63.93 1gxh h ILE 67 Cb 1.65 0.64 -0.10 0.00 -3.03 0.00 0.00 36.82 35.99 1gxh h ILE 67 CO 0.16 0.31 -0.54 0.11 -0.68 0.00 0.00 178.15 177.50 1gxh h LYS 68 N 0.84 -0.17 0.00 2.37 1.57 -0.80 0.27 116.57 120.65 1gxh h LYS 68 Ca 0.19 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1gxh h LYS 68 Cb 0.28 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1gxh h LYS 68 CO -0.01 -0.12 -0.31 0.93 -0.57 0.00 0.00 179.45 179.37 1gxh h GLU 69 N -0.18 0.00 0.08 3.15 3.07 -0.82 0.51 114.58 120.39 1gxh h GLU 69 Ca 0.11 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.97 1gxh h GLU 69 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1gxh h GLU 69 CO -0.73 0.31 -0.04 0.82 -1.40 0.00 0.00 179.01 177.98 1gxh h ILE 70 N 0.00 0.00 -0.79 3.13 5.03 -0.79 -1.52 117.51 122.57 1gxh h ILE 70 Ca -0.00 -0.54 0.18 0.00 -0.12 0.00 0.00 64.86 64.37 1gxh h ILE 70 Cb 0.74 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.41 1gxh h ILE 70 CO 0.04 0.00 0.24 0.11 -0.68 0.00 0.00 178.15 177.86 1gxh h LYS 71 N -0.64 0.30 0.20 2.37 1.79 -0.71 0.15 116.57 120.03 1gxh h LYS 71 Ca -0.01 -0.02 -0.33 0.00 -2.18 0.00 0.00 60.65 58.11 1gxh h LYS 71 Cb 0.08 -0.07 0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1gxh h LYS 71 CO 0.02 0.20 -1.57 1.49 -1.08 0.00 0.00 179.45 178.51 1gxh h GLU 72 N 0.31 0.43 0.10 3.15 4.22 -0.08 0.19 114.58 122.89 1gxh h GLU 72 Ca 0.46 -0.73 0.02 0.00 0.08 0.00 0.00 59.36 59.18 1gxh h GLU 72 Cb 0.80 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 1gxh h GLU 72 CO -0.52 1.33 -0.21 2.35 -2.18 0.00 0.00 179.01 179.79 1gxh h TRP 73 N 0.12 -0.54 -0.50 0.92 7.01 -1.06 0.29 115.95 122.18 1gxh h TRP 73 Ca -0.28 0.01 0.04 0.00 2.11 0.00 0.00 58.89 60.78 1gxh h TRP 73 Cb 2.11 0.23 -0.04 0.00 -2.10 0.00 0.00 29.16 29.35 1gxh h TRP 73 CO 0.10 -0.30 0.25 0.00 -2.79 0.00 0.00 178.44 175.70 1gxh h ARG 74 N -0.39 0.47 0.44 2.65 2.47 -0.72 -0.19 114.38 119.12 1gxh h ARG 74 Ca 0.03 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1gxh h ARG 74 Cb 0.41 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1gxh h ARG 74 CO -0.12 0.31 -0.33 0.00 0.56 0.00 0.00 179.97 180.39 1gxh h ALA 75 N 1.27 -1.09 -0.93 0.04 0.00 -0.28 0.76 119.26 119.03 1gxh h ALA 75 Ca 0.22 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1gxh h ALA 75 Cb 0.13 0.49 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1gxh h ALA 75 CO -0.16 -1.08 0.60 0.00 0.00 0.00 0.00 179.25 178.61 1gxh h ALA 76 N -1.34 1.24 0.00 0.00 0.00 -0.16 -0.95 119.26 118.06 1gxh h ALA 76 Ca -0.06 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1gxh h ALA 76 Cb 0.61 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1gxh h ALA 76 CO 0.02 0.45 -0.82 -0.91 0.00 0.00 0.00 179.25 177.99 1gxh h ASN 77 N 1.15 0.00 0.00 0.00 2.35 -1.05 -3.44 115.58 114.59 1gxh h ASN 77 Ca 0.38 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 1gxh h ASN 77 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1gxh h ASN 77 CO -0.13 0.58 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 1gxh n GLY 78 N 1.29 -0.04 0.00 2.83 0.00 -0.06 -5.07 105.19 104.14 1gxh n GLY 78 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1gxh n GLY 78 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gxh n LYS 79 N 0.00 0.00 0.00 1.61 4.01 0.06 -4.68 118.16 119.16 1gxh n LYS 79 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1gxh n LYS 79 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1gxh n LYS 79 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1gxh n SER 80 N 0.00 0.00 0.00 4.39 7.64 -1.26 -4.96 113.62 119.43 1gxh n SER 80 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1gxh n SER 80 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1gxh n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gxh n GLY 81 N -1.70 1.18 3.67 0.23 0.00 -1.26 -3.90 105.19 103.41 1gxh n GLY 81 Ca 0.00 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1gxh n GLY 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1gxh s PHE 82 N -1.41 1.91 0.67 1.61 -0.12 -1.24 -4.60 117.98 114.80 1gxh s PHE 82 Ca 0.00 1.55 -0.17 0.00 -0.05 0.00 0.00 56.93 58.26 1gxh s PHE 82 Cb 0.00 -3.21 -0.10 0.00 -0.63 0.00 0.00 43.02 39.08 1gxh s PHE 82 CO 0.00 -2.68 0.06 1.17 -0.05 0.00 0.00 175.22 173.72 1gxh n LYS 83 N -4.13 0.16 -2.37 1.99 4.81 -1.26 -4.75 118.16 112.61 1gxh n LYS 83 Ca 0.09 0.07 -0.40 0.00 -0.87 0.00 0.00 58.31 57.20 1gxh n LYS 83 Cb 0.53 -1.37 -0.03 0.00 0.02 0.00 0.00 35.03 34.18 1gxh n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1gxh s GLN 84 N -1.91 3.00 0.00 1.64 -0.44 -1.26 -1.28 119.66 119.40 1gxh s GLN 84 Ca 0.58 0.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.47 1gxh s GLN 84 Cb -0.39 -4.30 0.00 0.00 -1.64 0.00 0.00 33.01 26.68 1gxh s GLN 84 CO 0.65 -2.38 0.00 0.41 0.50 0.00 0.00 175.29 174.47