#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxh s GLU 2 N 0.00 2.85 0.34 2.12 -6.30 -1.26 -5.10 118.70 111.35 1gxh s GLU 2 Ca 0.00 -0.95 0.03 0.00 -2.50 0.00 0.00 54.97 51.56 1gxh s GLU 2 Cb 0.00 -2.84 -0.05 0.00 0.00 0.00 0.00 34.13 31.23 1gxh s GLU 2 CO 0.00 -0.34 0.07 -0.51 0.02 0.00 0.00 175.26 174.50 1gxh s LEU 3 N 1.30 2.10 0.08 2.70 1.43 -1.26 -4.95 118.68 120.08 1gxh s LEU 3 Ca 0.01 -1.44 0.06 0.00 -1.03 0.00 0.00 54.13 51.73 1gxh s LEU 3 Cb -0.16 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.73 1gxh s LEU 3 CO -0.07 -0.68 -0.16 -0.54 0.23 0.00 0.00 176.35 175.13 1gxh s LYS 4 N -3.87 0.90 0.05 1.70 -0.14 -1.26 -5.04 119.74 112.08 1gxh s LYS 4 Ca 0.34 -1.02 0.12 0.00 -1.36 0.00 0.00 55.97 54.05 1gxh s LYS 4 Cb 0.07 -0.96 0.53 0.00 -1.68 0.00 0.00 37.83 35.80 1gxh s LYS 4 CO 0.15 0.22 1.38 -1.71 -0.76 0.00 0.00 175.35 174.63 1gxh n ASN 5 N 1.19 0.12 -3.61 2.83 4.05 -1.26 -4.79 115.26 113.80 1gxh n ASN 5 Ca -0.20 0.54 -0.02 0.00 0.45 0.00 0.00 54.58 55.34 1gxh n ASN 5 Cb 0.54 -0.56 -0.01 0.00 1.23 0.00 0.00 39.78 40.97 1gxh n ASN 5 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1gxh s SER 6 N -3.23 -0.10 0.53 1.20 0.01 -1.26 -4.80 113.70 106.05 1gxh s SER 6 Ca 0.04 -0.05 0.23 0.00 1.31 0.00 0.00 55.95 57.47 1gxh s SER 6 Cb 0.07 0.15 1.38 0.00 0.21 0.00 0.00 66.02 67.82 1gxh s SER 6 CO 0.21 -0.25 2.06 0.40 0.41 0.00 0.00 173.24 176.06 1gxh h ILE 7 N 2.00 0.80 -0.00 1.44 1.08 -1.69 0.79 117.51 121.92 1gxh h ILE 7 Ca -0.17 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1gxh h ILE 7 Cb 1.18 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1gxh h ILE 7 CO 0.25 0.00 -0.79 -1.54 -0.69 0.00 0.00 178.15 175.38 1gxh n SER 8 N -4.37 1.05 0.09 1.72 3.41 -1.25 -2.74 113.62 111.53 1gxh n SER 8 Ca 0.05 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 1gxh n SER 8 Cb 0.40 0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 1gxh n SER 8 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1gxh h ASP 9 N 0.41 0.00 -3.96 4.04 3.58 -1.35 -3.40 116.42 115.74 1gxh h ASP 9 Ca 0.00 0.00 -0.47 0.00 0.42 0.00 0.00 57.03 56.98 1gxh h ASP 9 Cb 0.54 0.00 0.16 0.00 1.72 0.00 0.00 39.33 41.75 1gxh h ASP 9 CO 0.00 0.59 0.21 -0.31 -2.88 0.00 0.00 179.24 176.85 1gxh s TYR 10 N -2.92 2.15 0.25 0.28 1.51 0.07 -4.85 117.35 113.84 1gxh s TYR 10 Ca 0.01 1.19 0.11 0.00 -1.01 0.00 0.00 57.07 57.37 1gxh s TYR 10 Cb 0.08 -3.19 -0.05 0.00 -0.11 0.00 0.00 41.96 38.69 1gxh s TYR 10 CO 0.78 -2.68 -0.14 0.95 -1.11 0.00 0.00 175.55 173.35 1gxh s THR 11 N -2.89 2.83 0.48 -0.71 -4.23 -1.26 -2.01 115.64 107.85 1gxh s THR 11 Ca 0.64 -2.11 0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1gxh s THR 11 Cb -0.19 -2.46 0.23 0.00 1.34 0.00 0.00 72.50 71.42 1gxh s THR 11 CO 0.58 -0.31 2.07 -0.08 -0.54 0.00 0.00 174.62 176.35 1gxh h GLU 12 N 2.40 0.00 0.00 3.99 4.81 -1.89 -0.76 114.58 123.13 1gxh h GLU 12 Ca -0.43 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.50 1gxh h GLU 12 Cb 1.24 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 1gxh h GLU 12 CO 0.57 0.09 -1.78 2.41 -0.73 0.00 0.00 179.01 179.57 1gxh n THR 13 N -4.42 1.60 -0.24 0.32 -1.04 -1.26 -2.34 114.28 106.91 1gxh n THR 13 Ca -0.03 -0.80 -0.07 0.00 -2.04 0.00 0.00 64.05 61.11 1gxh n THR 13 Cb 0.17 -1.01 0.04 0.00 -1.82 0.00 0.00 70.33 67.70 1gxh n THR 13 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1gxh h GLU 14 N 0.00 1.00 -0.53 -2.82 5.08 -1.89 -0.65 114.58 114.78 1gxh h GLU 14 Ca -0.32 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 57.79 1gxh h GLU 14 Cb 2.04 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 31.11 1gxh h GLU 14 CO 0.07 0.86 0.12 0.35 -1.00 0.00 0.00 179.01 179.41 1gxh h PHE 15 N 0.94 0.84 -0.38 4.33 3.57 -1.23 -0.52 116.94 124.48 1gxh h PHE 15 Ca 0.21 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1gxh h PHE 15 Cb 0.26 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.69 1gxh h PHE 15 CO 0.02 0.71 -0.02 -0.22 -2.23 0.00 0.00 178.31 176.57 1gxh h LYS 16 N 0.78 0.08 -0.98 1.11 1.63 -1.04 -0.32 116.57 117.83 1gxh h LYS 16 Ca 0.17 -0.00 0.18 0.00 -0.85 0.00 0.00 60.65 60.14 1gxh h LYS 16 Cb 0.30 -0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.81 1gxh h LYS 16 CO -0.00 0.05 0.59 -0.22 -3.45 0.00 0.00 179.45 176.42 1gxh h LYS 17 N 0.08 0.75 -0.12 1.90 3.11 0.47 0.74 116.57 123.50 1gxh h LYS 17 Ca 0.19 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.94 1gxh h LYS 17 Cb 0.27 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.32 1gxh h LYS 17 CO -0.33 0.50 -0.09 0.97 -2.81 0.00 0.00 179.45 177.69 1gxh h ILE 18 N 0.77 1.34 0.00 2.00 2.10 -1.12 -0.94 117.51 121.67 1gxh h ILE 18 Ca 0.55 -1.21 -0.06 0.00 1.08 0.00 0.00 64.86 65.23 1gxh h ILE 18 Cb 0.82 1.89 -0.01 0.00 -1.09 0.00 0.00 36.82 38.42 1gxh h ILE 18 CO -0.37 0.35 -0.26 0.40 -1.08 0.00 0.00 178.15 177.19 1gxh h ILE 19 N -0.11 0.70 0.00 2.19 1.08 0.76 -2.33 117.51 119.81 1gxh h ILE 19 Ca 0.02 -1.15 -0.29 0.00 -0.39 0.00 0.00 64.86 63.06 1gxh h ILE 19 Cb 0.59 1.73 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 1gxh h ILE 19 CO 0.02 0.26 -1.68 -0.33 -0.69 0.00 0.00 178.15 175.73 1gxh h GLU 20 N 0.00 0.01 0.00 2.37 5.08 0.33 -2.78 114.58 119.59 1gxh h GLU 20 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1gxh h GLU 20 Cb 0.71 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1gxh h GLU 20 CO 0.03 0.54 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.09 1gxh h ASP 21 N 0.00 0.00 0.00 1.42 5.19 -0.67 0.70 116.42 123.06 1gxh h ASP 21 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1gxh h ASP 21 Cb 2.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.51 1gxh h ASP 21 CO 0.08 0.06 -0.02 0.16 -3.12 0.00 0.00 179.24 176.40 1gxh h ILE 22 N 0.00 0.00 0.59 0.35 3.07 -1.53 -1.48 117.51 118.51 1gxh h ILE 22 Ca -0.00 -0.09 -0.03 0.00 1.55 0.00 0.00 64.86 66.29 1gxh h ILE 22 Cb 0.12 0.00 0.01 0.00 -0.27 0.00 0.00 36.82 36.68 1gxh h ILE 22 CO 0.01 0.00 -0.28 0.40 -1.05 0.00 0.00 178.15 177.23 1gxh h ILE 23 N -0.09 0.37 0.00 0.16 1.08 -1.50 -2.16 117.51 115.37 1gxh h ILE 23 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1gxh h ILE 23 Cb 0.02 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 1gxh h ILE 23 CO 0.00 0.03 0.00 -3.20 -0.69 0.00 0.00 178.15 174.29 1gxh n ASN 24 N -5.38 0.00 -2.60 1.72 5.15 0.17 -4.94 115.26 109.38 1gxh n ASN 24 Ca -0.12 0.23 -0.12 0.00 -0.60 0.00 0.00 54.58 53.97 1gxh n ASN 24 Cb 0.34 -0.36 0.06 0.00 -0.53 0.00 0.00 39.78 39.29 1gxh n ASN 24 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gxh n GLU 26 N -3.14 1.36 -4.34 0.00 2.13 -0.56 -4.88 120.64 111.22 1gxh n GLU 26 Ca -0.16 -0.81 -0.24 0.00 0.66 0.00 0.00 57.16 56.60 1gxh n GLU 26 Cb 0.60 -1.97 -0.13 0.00 0.27 0.00 0.00 31.44 30.21 1gxh n GLU 26 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 1gxh s GLY 27 N 2.77 1.25 -0.00 8.31 0.00 -1.24 -4.85 107.32 113.56 1gxh s GLY 27 Ca 0.37 -1.24 0.09 0.00 0.00 0.00 0.00 44.72 43.94 1gxh s GLY 27 CO -0.01 -1.23 1.06 1.34 0.00 0.00 0.00 173.10 174.26 1gxh n ASP 28 N 1.17 0.38 0.00 1.64 2.03 -1.26 -5.00 116.55 115.51 1gxh n ASP 28 Ca -0.19 -2.01 0.00 0.00 0.52 0.00 0.00 54.79 53.11 1gxh n ASP 28 Cb 0.53 -0.24 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1gxh n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gxh n GLU 29 N 0.17 0.00 -0.03 -0.67 1.02 -1.26 -4.26 120.64 115.61 1gxh n GLU 29 Ca 0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.02 1gxh n GLU 29 Cb 0.86 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 32.17 1gxh n GLU 29 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 1gxh h LYS 30 N 0.00 0.13 0.00 3.49 2.10 -1.98 0.16 116.57 120.47 1gxh h LYS 30 Ca 0.00 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 1gxh h LYS 30 Cb 0.00 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1gxh h LYS 30 CO 0.00 0.80 0.00 1.17 -2.00 0.00 0.00 179.45 179.42 1gxh n LYS 31 N -4.61 0.31 -0.00 0.07 0.00 -1.26 -0.43 118.16 112.23 1gxh n LYS 31 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.23 1gxh n LYS 31 Cb 0.42 -1.45 -0.01 0.00 0.00 0.00 0.00 35.03 33.99 1gxh n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gxh n GLN 32 N -0.95 0.60 -0.33 1.64 10.64 -0.70 -4.26 117.38 124.02 1gxh n GLN 32 Ca 0.07 -0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.30 1gxh n GLN 32 Cb 0.03 -1.04 0.27 0.00 -0.86 0.00 0.00 30.24 28.64 1gxh n GLN 32 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1gxh h ASP 33 N 0.00 0.87 -0.83 2.61 3.58 -0.07 0.86 116.42 123.45 1gxh h ASP 33 Ca -0.01 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1gxh h ASP 33 Cb 0.23 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 1gxh h ASP 33 CO 0.00 0.48 0.45 -0.78 -2.88 0.00 0.00 179.24 176.51 1gxh h ASP 34 N 0.94 1.05 -0.23 2.28 1.82 -0.98 0.40 116.42 121.70 1gxh h ASP 34 Ca 0.46 -0.10 -0.04 0.00 -0.39 0.00 0.00 57.03 56.97 1gxh h ASP 34 Cb 0.47 -0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 1gxh h ASP 34 CO -0.22 0.85 0.00 -1.13 -1.61 0.00 0.00 179.24 177.12 1gxh h ASN 35 N 1.17 0.40 -0.65 2.28 -1.24 -1.62 -3.26 115.58 112.66 1gxh h ASN 35 Ca 0.29 -0.31 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1gxh h ASN 35 Cb 0.04 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 1gxh h ASN 35 CO -0.05 0.61 0.22 -0.07 -1.29 0.00 0.00 177.43 176.86 1gxh h LEU 36 N 0.17 0.92 -0.25 0.34 3.38 0.13 0.45 115.31 120.45 1gxh h LEU 36 Ca 0.07 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1gxh h LEU 36 Cb 0.40 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1gxh h LEU 36 CO 0.01 0.87 0.00 -0.08 0.09 0.00 0.00 178.44 179.33 1gxh h GLU 37 N 0.92 0.08 -0.26 1.13 4.22 -1.43 -2.52 114.58 116.73 1gxh h GLU 37 Ca 0.21 -0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.60 1gxh h GLU 37 Cb 0.26 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1gxh h GLU 37 CO -0.01 0.05 -0.01 1.25 -2.18 0.00 0.00 179.01 178.11 1gxh h HIS 38 N 0.08 0.51 0.00 0.92 2.76 -1.00 -0.35 115.15 118.07 1gxh h HIS 38 Ca 0.12 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1gxh h HIS 38 Cb 0.15 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.98 1gxh h HIS 38 CO -0.20 0.63 0.06 0.35 -1.30 0.00 0.00 177.93 177.47 1gxh h PHE 39 N 0.24 0.00 0.03 5.26 3.57 -0.20 0.21 116.94 126.05 1gxh h PHE 39 Ca 0.07 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1gxh h PHE 39 Cb 0.43 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1gxh h PHE 39 CO 0.04 0.00 -0.66 0.82 -2.23 0.00 0.00 178.31 176.27 1gxh h ILE 40 N 0.00 1.39 0.11 1.41 5.03 -0.77 -3.40 117.51 121.28 1gxh h ILE 40 Ca 0.00 -2.33 -0.26 0.00 -0.12 0.00 0.00 64.86 62.15 1gxh h ILE 40 Cb 0.12 2.93 0.00 0.00 -3.03 0.00 0.00 36.82 36.84 1gxh h ILE 40 CO 0.00 0.55 -1.19 0.28 -0.68 0.00 0.00 178.15 177.11 1gxh h SER 41 N -0.83 0.39 0.04 1.72 0.02 0.96 -3.25 113.55 112.60 1gxh h SER 41 Ca -0.16 -0.41 -0.23 0.00 -0.84 0.00 0.00 61.79 60.15 1gxh h SER 41 Cb 1.27 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 63.70 1gxh h SER 41 CO -0.04 1.31 -0.92 1.62 -1.14 0.00 0.00 176.83 177.66 1gxh h VAL 42 N 0.08 1.35 -2.13 2.27 3.04 -1.41 -3.46 116.25 115.99 1gxh h VAL 42 Ca -0.12 -2.26 -0.08 0.00 -1.01 0.00 0.00 66.70 63.23 1gxh h VAL 42 Cb 1.91 2.61 0.03 0.00 -2.01 0.00 0.00 31.29 33.83 1gxh h VAL 42 CO 0.19 0.68 0.05 0.41 -1.01 0.00 0.00 177.57 177.90 1gxh n THR 43 N -4.00 0.00 -1.15 3.17 -1.04 -1.23 -1.91 114.28 108.13 1gxh n THR 43 Ca -0.12 -0.14 0.01 0.00 -2.04 0.00 0.00 64.05 61.76 1gxh n THR 43 Cb 0.83 -1.56 0.02 0.00 -1.82 0.00 0.00 70.33 67.80 1gxh n THR 43 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1gxh n GLU 44 N -1.76 0.69 -2.25 -2.82 1.02 -1.26 -4.94 120.64 109.33 1gxh n GLU 44 Ca 0.03 -1.12 -0.42 0.00 -0.02 0.00 0.00 57.16 55.63 1gxh n GLU 44 Cb 0.11 -0.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.78 1gxh n GLU 44 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1gxh s HIS 45 N -0.57 2.14 0.32 -0.32 2.46 -1.26 -4.89 115.29 113.17 1gxh s HIS 45 Ca 0.04 0.61 0.01 0.00 0.47 0.00 0.00 55.06 56.20 1gxh s HIS 45 Cb 0.04 -4.27 0.55 0.00 -0.13 0.00 0.00 32.58 28.77 1gxh s HIS 45 CO 0.00 -2.23 1.93 -1.00 -2.47 0.00 0.00 174.74 170.98 1gxh h PRO 46 N 11.83 0.81 0.00 2.88 0.13 -1.97 -0.53 132.00 145.15 1gxh h PRO 46 Ca -0.28 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1gxh h PRO 46 Cb 1.12 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1gxh h PRO 46 CO 1.12 0.62 0.00 0.77 -0.23 0.00 0.00 178.00 180.28 1gxh h SER 47 N 0.81 0.00 0.00 1.44 0.02 -2.01 -3.47 113.55 110.34 1gxh h SER 47 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1gxh h SER 47 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1gxh h SER 47 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 1gxh n GLY 48 N -0.70 2.65 0.00 -3.77 0.00 -0.21 -1.74 105.19 101.42 1gxh n GLY 48 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1gxh n GLY 48 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1gxh n SER 49 N 2.90 0.00 -0.24 1.61 2.88 -1.26 -2.18 113.62 117.34 1gxh n SER 49 Ca 0.00 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1gxh n SER 49 Cb 0.00 -0.38 0.12 0.00 -0.75 0.00 0.00 64.21 63.20 1gxh n SER 49 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1gxh h ASP 50 N 0.00 0.45 0.68 -3.46 3.32 -1.64 -0.31 116.42 115.47 1gxh h ASP 50 Ca 0.00 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1gxh h ASP 50 Cb 0.06 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1gxh h ASP 50 CO 0.00 0.27 0.00 -0.07 -1.72 0.00 0.00 179.24 177.72 1gxh h LEU 51 N 0.59 0.00 0.07 1.55 -0.00 -1.67 0.21 115.31 116.07 1gxh h LEU 51 Ca 0.33 0.00 -0.36 0.00 -0.00 0.00 0.00 57.88 57.85 1gxh h LEU 51 Cb 0.33 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 1gxh h LEU 51 CO -0.25 0.00 -2.09 -0.38 -0.00 0.00 0.00 178.44 175.72 1gxh n ILE 52 N -2.77 1.67 0.00 1.22 5.41 -0.65 -4.70 119.36 119.54 1gxh n ILE 52 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.08 1gxh n ILE 52 Cb 0.22 -1.47 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 -3.32 0.00 -3.16 1.39 4.01 -0.22 -4.86 117.16 111.00 1gxh n TYR 53 Ca -0.33 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.19 1gxh n TYR 53 Cb 1.04 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 40.03 1gxh n TYR 53 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1gxh n TYR 54 N -1.33 1.11 -1.19 -0.72 4.01 0.71 -5.03 117.16 114.72 1gxh n TYR 54 Ca 0.00 -3.83 -0.29 0.00 -0.16 0.00 0.00 57.90 53.62 1gxh n TYR 54 Cb 0.16 -0.43 0.19 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.36 -0.01 0.00 -0.72 0.04 -1.07 -4.50 135.00 126.38 1gxh s PRO 55 Ca 0.41 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1gxh s PRO 55 Cb 0.28 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 33.11 1gxh s PRO 55 CO -0.09 -2.98 0.00 -1.91 0.04 0.00 0.00 177.00 172.06 1gxh n GLU 56 N -4.31 0.83 0.00 4.56 0.00 -1.26 -5.03 120.64 115.43 1gxh n GLU 56 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.24 1gxh n GLU 56 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.02 1gxh n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gxh n GLY 57 N 1.12 0.10 0.22 8.31 0.00 -1.26 -4.36 105.19 109.32 1gxh n GLY 57 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1gxh n GLY 57 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1gxh h ASN 58 N 0.00 0.00 -2.83 1.61 7.08 -2.01 -3.45 115.58 115.98 1gxh h ASN 58 Ca 0.00 0.00 -0.48 0.00 -3.08 0.00 0.00 56.30 52.74 1gxh h ASN 58 Cb 0.00 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.25 1gxh h ASN 58 CO 0.00 0.00 -0.20 0.21 -2.08 0.00 0.00 177.43 175.36 1gxh s ASN 59 N -5.95 6.31 0.00 6.14 2.47 -1.26 -4.69 114.94 117.96 1gxh s ASN 59 Ca 0.06 0.46 0.00 0.00 0.42 0.00 0.00 52.86 53.80 1gxh s ASN 59 Cb 0.06 -2.04 0.00 0.00 -1.45 0.00 0.00 41.25 37.83 1gxh s ASN 59 CO 0.64 -0.27 0.00 -0.67 -3.72 0.00 0.00 177.10 173.07 1gxh n ASP 60 N -1.66 0.00 0.24 -4.21 2.03 -1.26 -4.63 116.55 107.06 1gxh n ASP 60 Ca -0.05 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.37 1gxh n ASP 60 Cb 0.56 0.00 0.62 0.00 -0.72 0.00 0.00 41.12 41.58 1gxh n ASP 60 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1gxh h GLY 61 N 0.00 0.00 -3.75 0.27 0.00 -1.95 -3.44 103.07 94.19 1gxh h GLY 61 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 1gxh h GLY 61 CO 0.00 0.00 0.49 -0.45 0.00 0.00 0.00 176.54 176.58 1gxh s SER 62 N -6.29 -0.39 0.48 0.19 0.15 -1.26 -5.00 113.70 101.58 1gxh s SER 62 Ca -0.02 0.18 0.29 0.00 0.70 0.00 0.00 55.95 57.10 1gxh s SER 62 Cb 0.13 0.37 1.58 0.00 -1.71 0.00 0.00 66.02 66.39 1gxh s SER 62 CO 0.62 -0.53 1.88 1.55 1.20 0.00 0.00 173.24 177.95 1gxh h PRO 63 N 2.25 0.00 -0.97 5.44 0.13 -1.90 -0.99 132.00 135.96 1gxh h PRO 63 Ca -0.21 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.98 1gxh h PRO 63 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1gxh h PRO 63 CO 0.32 0.00 0.63 0.93 -0.23 0.00 0.00 178.00 179.64 1gxh h GLU 64 N 0.00 1.12 0.00 0.86 4.39 -1.95 -0.08 114.58 118.92 1gxh h GLU 64 Ca 0.00 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1gxh h GLU 64 Cb 0.16 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1gxh h GLU 64 CO 0.00 0.74 0.00 0.00 -1.16 0.00 0.00 179.01 178.59 1gxh h ALA 65 N 1.44 1.00 0.03 3.43 0.00 -1.55 0.86 119.26 124.47 1gxh h ALA 65 Ca 0.42 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.07 1gxh h ALA 65 Cb 0.14 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.96 1gxh h ALA 65 CO -0.17 0.00 -1.02 0.28 0.00 0.00 0.00 179.25 178.34 1gxh h VAL 66 N 0.00 1.31 -0.56 0.00 2.07 -1.15 -2.90 116.25 115.01 1gxh h VAL 66 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 1gxh h VAL 66 Cb 0.19 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1gxh h VAL 66 CO 0.00 0.70 0.36 0.40 0.02 0.00 0.00 177.57 179.04 1gxh h ILE 67 N 0.27 1.15 -0.38 4.57 5.03 -0.61 0.47 117.51 128.01 1gxh h ILE 67 Ca -0.14 -0.30 0.04 0.00 -0.12 0.00 0.00 64.86 64.33 1gxh h ILE 67 Cb 1.70 0.35 -0.05 0.00 -3.03 0.00 0.00 36.82 35.79 1gxh h ILE 67 CO 0.20 0.15 -0.28 0.11 -0.68 0.00 0.00 178.15 177.65 1gxh h LYS 68 N 0.76 -0.07 0.00 2.37 1.57 -1.04 0.78 116.57 120.93 1gxh h LYS 68 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1gxh h LYS 68 Cb -0.06 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1gxh h LYS 68 CO -0.04 -0.05 0.00 0.93 -0.57 0.00 0.00 179.45 179.72 1gxh h GLU 69 N -0.07 0.00 0.00 3.15 3.07 -0.82 0.33 114.58 120.24 1gxh h GLU 69 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 1gxh h GLU 69 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1gxh h GLU 69 CO -0.39 0.00 -0.07 0.82 -1.40 0.00 0.00 179.01 177.97 1gxh h ILE 70 N 0.00 0.00 -0.61 3.13 1.08 -0.46 -2.47 117.51 118.18 1gxh h ILE 70 Ca 0.00 -0.81 0.10 0.00 -0.39 0.00 0.00 64.86 63.76 1gxh h ILE 70 Cb 0.30 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.93 1gxh h ILE 70 CO 0.00 0.00 -0.38 0.11 -0.69 0.00 0.00 178.15 177.19 1gxh h LYS 71 N -0.81 -0.17 0.00 2.37 1.57 -0.08 0.77 116.57 120.22 1gxh h LYS 71 Ca 0.00 0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1gxh h LYS 71 Cb 0.07 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1gxh h LYS 71 CO 0.00 -0.11 -1.23 0.93 -0.57 0.00 0.00 179.45 178.46 1gxh h GLU 72 N -0.18 0.00 0.32 3.15 3.07 -0.53 0.49 114.58 120.91 1gxh h GLU 72 Ca 0.22 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1gxh h GLU 72 Cb 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1gxh h GLU 72 CO -0.70 0.27 -0.15 2.35 -1.40 0.00 0.00 179.01 179.38 1gxh h TRP 73 N 0.00 -0.40 -0.15 4.33 7.01 -1.33 -0.45 115.95 124.96 1gxh h TRP 73 Ca -0.12 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 60.90 1gxh h TRP 73 Cb 1.48 0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 28.64 1gxh h TRP 73 CO 0.00 -0.24 -0.05 0.00 -2.79 0.00 0.00 178.44 175.36 1gxh h ARG 74 N -0.44 -0.02 -0.59 2.65 2.47 -0.38 0.14 114.38 118.22 1gxh h ARG 74 Ca -0.04 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.62 1gxh h ARG 74 Cb 0.34 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1gxh h ARG 74 CO 0.07 -0.01 0.14 0.00 0.56 0.00 0.00 179.97 180.73 1gxh h ALA 75 N 1.13 0.79 -0.70 0.04 0.00 -0.75 0.12 119.26 119.89 1gxh h ALA 75 Ca 0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1gxh h ALA 75 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1gxh h ALA 75 CO -0.16 0.50 0.32 0.00 0.00 0.00 0.00 179.25 179.91 1gxh h ALA 76 N 1.03 1.25 0.00 0.00 0.00 -0.74 0.43 119.26 121.23 1gxh h ALA 76 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gxh h ALA 76 Cb 0.36 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1gxh h ALA 76 CO 0.00 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.91 1gxh n ASN 77 N -4.33 0.00 0.00 0.00 3.02 0.47 -4.88 115.26 109.54 1gxh n ASN 77 Ca 0.06 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1gxh n ASN 77 Cb 0.14 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1gxh n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gxh n GLY 78 N -0.68 0.78 3.54 7.41 0.00 0.14 -5.05 105.19 111.32 1gxh n GLY 78 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1gxh n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gxh s LYS 79 N -0.57 1.92 0.28 1.61 1.02 0.34 -4.94 119.74 119.40 1gxh s LYS 79 Ca 0.00 -1.52 -0.29 0.00 0.02 0.00 0.00 55.97 54.17 1gxh s LYS 79 Cb 0.00 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.23 1gxh s LYS 79 CO 0.00 0.37 1.39 -1.12 -0.92 0.00 0.00 175.35 175.07 1gxh s SER 80 N -3.29 6.68 0.55 2.83 0.01 -1.26 -2.82 113.70 116.39 1gxh s SER 80 Ca 0.28 2.69 0.00 0.00 1.31 0.00 0.00 55.95 60.23 1gxh s SER 80 Cb -0.07 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1gxh s SER 80 CO 0.16 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1gxh n GLY 81 N 1.59 -0.53 3.54 3.44 0.00 -1.26 -4.70 105.19 107.27 1gxh n GLY 81 Ca 0.04 -1.73 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.33 0.74 0.03 1.61 -0.12 -1.11 -3.94 117.98 114.85 1gxh s PHE 82 Ca 0.00 0.69 -0.30 0.00 -0.05 0.00 0.00 56.93 57.28 1gxh s PHE 82 Cb 0.00 -3.26 -0.15 0.00 -0.63 0.00 0.00 43.02 38.97 1gxh s PHE 82 CO 0.00 -3.89 0.76 1.17 -0.05 0.00 0.00 175.22 173.21 1gxh n LYS 83 N -4.83 0.00 -1.24 1.99 0.00 -0.85 -4.80 118.16 108.43 1gxh n LYS 83 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 58.31 58.21 1gxh n LYS 83 Cb 0.58 -1.10 -0.11 0.00 0.00 0.00 0.00 35.03 34.40 1gxh n LYS 83 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1gxh n GLN 84 N 1.10 2.32 0.00 1.64 7.27 -1.26 -4.28 117.38 124.16 1gxh n GLN 84 Ca 0.15 -1.67 0.00 0.00 0.07 0.00 0.00 57.00 55.55 1gxh n GLN 84 Cb 0.09 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 30.62 1gxh n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54