#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gxg n GLU 2 N 0.00 0.94 -0.67 2.12 1.02 -1.26 -4.71 120.64 118.08 1gxg n GLU 2 Ca 0.00 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 1gxg n GLU 2 Cb 0.00 -1.03 0.22 0.00 -0.02 0.00 0.00 31.44 30.61 1gxg n GLU 2 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1gxg n LEU 3 N 1.05 0.00 -3.73 -4.62 4.77 -1.26 -4.85 117.00 108.36 1gxg n LEU 3 Ca 0.00 -0.89 -0.53 0.00 -0.03 0.00 0.00 56.01 54.56 1gxg n LEU 3 Cb 0.47 -0.82 -0.08 0.00 -2.33 0.00 0.00 43.42 40.65 1gxg n LEU 3 CO 0.00 -2.14 1.05 0.29 -1.33 0.00 0.00 177.39 175.26 1gxg n LYS 4 N -4.49 0.00 0.00 3.23 5.02 -1.26 -4.75 118.16 115.91 1gxg n LYS 4 Ca 0.12 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 1gxg n LYS 4 Cb 0.49 -1.21 0.68 0.00 -0.02 0.00 0.00 35.03 34.96 1gxg n LYS 4 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1gxg n ASN 5 N 3.96 0.00 -3.72 4.39 5.03 -1.26 -4.66 115.26 119.00 1gxg n ASN 5 Ca 0.30 -0.77 -0.11 0.00 0.87 0.00 0.00 54.58 54.86 1gxg n ASN 5 Cb -0.04 0.00 -0.06 0.00 -1.02 0.00 0.00 39.78 38.65 1gxg n ASN 5 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1gxg s SER 6 N -1.97 -0.16 0.30 6.41 0.01 -1.26 -4.80 113.70 112.23 1gxg s SER 6 Ca 0.34 -0.22 0.04 0.00 1.31 0.00 0.00 55.95 57.43 1gxg s SER 6 Cb 0.16 0.40 0.67 0.00 0.21 0.00 0.00 66.02 67.45 1gxg s SER 6 CO 0.26 -0.69 1.81 0.40 0.41 0.00 0.00 173.24 175.43 1gxg h ILE 7 N 2.93 0.80 0.00 1.44 1.08 -1.81 -0.95 117.51 121.01 1gxg h ILE 7 Ca -0.32 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1gxg h ILE 7 Cb 1.21 -0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1gxg h ILE 7 CO 0.47 0.16 0.00 -0.24 -0.69 0.00 0.00 178.15 177.84 1gxg n SER 8 N -4.69 0.00 0.07 1.72 2.88 -1.25 -0.83 113.62 111.52 1gxg n SER 8 Ca 0.21 0.31 0.02 0.00 -1.33 0.00 0.00 58.87 58.08 1gxg n SER 8 Cb 0.48 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.47 1gxg n SER 8 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1gxg h ASP 9 N 0.00 0.00 -4.12 -3.46 3.58 -1.52 -3.36 116.42 107.54 1gxg h ASP 9 Ca 0.00 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.95 1gxg h ASP 9 Cb 0.31 0.00 0.18 0.00 1.72 0.00 0.00 39.33 41.55 1gxg h ASP 9 CO 0.00 0.49 0.22 -0.31 -2.88 0.00 0.00 179.24 176.75 1gxg s TYR 10 N -2.98 1.84 0.37 0.28 1.51 -0.01 -4.84 117.35 113.51 1gxg s TYR 10 Ca -0.01 1.61 0.08 0.00 -1.01 0.00 0.00 57.07 57.74 1gxg s TYR 10 Cb 0.08 -3.23 -0.04 0.00 -0.11 0.00 0.00 41.96 38.66 1gxg s TYR 10 CO 0.79 -2.72 0.17 0.95 -1.11 0.00 0.00 175.55 173.63 1gxg s THR 11 N -2.70 2.78 0.40 -0.71 -4.23 -1.26 -0.65 115.64 109.27 1gxg s THR 11 Ca 0.66 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 59.57 1gxg s THR 11 Cb -0.21 -2.98 0.27 0.00 1.34 0.00 0.00 72.50 70.91 1gxg s THR 11 CO 0.58 -0.11 2.05 1.05 -0.54 0.00 0.00 174.62 177.65 1gxg h GLU 12 N 1.46 0.58 0.08 3.99 -0.00 -1.90 -2.45 114.58 116.35 1gxg h GLU 12 Ca -0.43 -0.03 -0.30 0.00 -0.00 0.00 0.00 59.36 58.59 1gxg h GLU 12 Cb 1.25 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.85 1gxg h GLU 12 CO 0.64 0.38 -1.58 1.15 -0.00 0.00 0.00 179.01 179.61 1gxg h THR 13 N 0.60 1.07 -0.77 -1.06 2.02 -1.98 -0.95 112.91 111.84 1gxg h THR 13 Ca 0.18 -2.77 -0.03 0.00 0.77 0.00 0.00 66.41 64.55 1gxg h THR 13 Cb -0.02 2.67 -0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1gxg h THR 13 CO -0.04 0.77 0.37 -0.33 0.37 0.00 0.00 175.52 176.66 1gxg h GLU 14 N 0.05 1.11 -0.69 6.66 5.08 -1.96 -1.73 114.58 123.09 1gxg h GLU 14 Ca -0.25 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1gxg h GLU 14 Cb 2.00 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 31.02 1gxg h GLU 14 CO 0.13 0.86 0.20 0.35 -1.00 0.00 0.00 179.01 179.55 1gxg h PHE 15 N 1.08 1.13 -0.41 4.33 3.57 -1.38 -1.99 116.94 123.27 1gxg h PHE 15 Ca 0.26 -0.12 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1gxg h PHE 15 Cb 0.12 -0.32 -0.09 0.00 2.79 0.00 0.00 35.95 38.44 1gxg h PHE 15 CO 0.01 0.91 -0.29 -0.22 -2.23 0.00 0.00 178.31 176.49 1gxg h LYS 16 N 1.02 -0.21 -0.55 1.11 1.63 -0.74 0.13 116.57 118.96 1gxg h LYS 16 Ca 0.22 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 1gxg h LYS 16 Cb 0.33 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1gxg h LYS 16 CO -0.00 -0.14 0.37 -0.22 -3.45 0.00 0.00 179.45 176.01 1gxg h LYS 17 N -0.22 0.45 -0.14 1.90 3.11 -0.56 0.48 116.57 121.59 1gxg h LYS 17 Ca 0.18 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 1gxg h LYS 17 Cb 0.51 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 1gxg h LYS 17 CO -0.53 0.30 -0.04 0.97 -2.81 0.00 0.00 179.45 177.33 1gxg h ILE 18 N 0.46 1.30 -0.09 2.00 2.10 -0.86 -0.42 117.51 122.00 1gxg h ILE 18 Ca 0.24 -1.02 -0.11 0.00 1.08 0.00 0.00 64.86 65.06 1gxg h ILE 18 Cb 0.36 1.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1gxg h ILE 18 CO -0.07 0.30 -0.42 0.40 -1.08 0.00 0.00 178.15 177.28 1gxg h ILE 19 N -0.05 1.31 0.03 2.19 1.08 0.66 -2.37 117.51 120.36 1gxg h ILE 19 Ca 0.03 -1.53 -0.27 0.00 -0.39 0.00 0.00 64.86 62.70 1gxg h ILE 19 Cb 0.48 1.72 0.02 0.00 -3.07 0.00 0.00 36.82 35.97 1gxg h ILE 19 CO 0.02 0.45 -1.09 -0.08 -0.69 0.00 0.00 178.15 176.76 1gxg h GLU 20 N 0.16 0.68 -0.79 2.37 4.81 -0.19 -2.94 114.58 118.68 1gxg h GLU 20 Ca 0.01 -0.77 0.13 0.00 -0.13 0.00 0.00 59.36 58.61 1gxg h GLU 20 Cb 0.82 0.23 -0.14 0.00 0.63 0.00 0.00 28.75 30.28 1gxg h GLU 20 CO 0.06 1.34 -0.34 0.22 -0.73 0.00 0.00 179.01 179.56 1gxg h ASP 21 N 0.37 -1.22 0.38 1.04 1.82 -0.54 -0.24 116.42 118.04 1gxg h ASP 21 Ca -0.14 0.27 -0.02 0.00 -0.39 0.00 0.00 57.03 56.74 1gxg h ASP 21 Cb 1.75 0.64 0.00 0.00 0.68 0.00 0.00 39.33 42.40 1gxg h ASP 21 CO 0.21 -0.29 -0.18 0.16 -1.61 0.00 0.00 179.24 177.52 1gxg h ILE 22 N -0.07 0.37 -1.00 2.25 3.07 -1.62 0.16 117.51 120.66 1gxg h ILE 22 Ca 0.30 -0.66 0.18 0.00 1.55 0.00 0.00 64.86 66.23 1gxg h ILE 22 Cb 0.58 0.57 -0.10 0.00 -0.27 0.00 0.00 36.82 37.60 1gxg h ILE 22 CO -0.83 0.08 0.61 0.40 -1.05 0.00 0.00 178.15 177.36 1gxg h ILE 23 N -1.00 0.73 0.23 0.16 2.04 -1.28 -0.89 117.51 117.50 1gxg h ILE 23 Ca -0.05 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1gxg h ILE 23 Cb 0.52 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1gxg h ILE 23 CO 0.09 0.14 -0.11 0.78 0.00 0.00 0.00 178.15 179.05 1gxg h ASN 24 N 0.79 -0.26 -1.90 1.72 2.35 -1.13 -3.50 115.58 113.66 1gxg h ASN 24 Ca 0.57 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1gxg h ASN 24 Cb 0.84 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.28 1gxg h ASN 24 CO -0.37 0.19 0.00 0.00 -1.65 0.00 0.00 177.43 175.61 1gxg n GLU 26 N -0.54 1.28 -0.83 0.00 2.13 0.08 -4.71 120.64 118.06 1gxg n GLU 26 Ca 0.00 -0.81 0.00 0.00 0.66 0.00 0.00 57.16 57.01 1gxg n GLU 26 Cb 0.23 -1.99 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1gxg n GLU 26 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gxg n GLY 27 N 3.17 -0.63 2.45 8.31 0.00 -1.26 -4.98 105.19 112.24 1gxg n GLY 27 Ca 0.27 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.71 1gxg n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gxg n ASP 28 N 0.00 0.19 0.00 1.61 2.03 -1.26 -5.00 116.55 114.12 1gxg n ASP 28 Ca 0.00 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.22 1gxg n ASP 28 Cb 0.00 0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1gxg n ASP 28 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1gxg n GLU 29 N -0.75 0.00 -0.12 -0.67 1.02 -1.26 -4.46 120.64 114.40 1gxg n GLU 29 Ca -0.05 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.03 1gxg n GLU 29 Cb 0.86 -0.00 0.12 0.00 -0.02 0.00 0.00 31.44 32.39 1gxg n GLU 29 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1gxg h LYS 30 N 0.00 0.85 -0.76 3.49 1.57 -1.98 0.15 116.57 119.88 1gxg h LYS 30 Ca 0.00 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1gxg h LYS 30 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1gxg h LYS 30 CO 0.00 0.88 0.37 -0.22 -0.57 0.00 0.00 179.45 179.90 1gxg h LYS 31 N 0.77 1.10 -0.32 3.15 3.11 -1.94 0.05 116.57 122.50 1gxg h LYS 31 Ca 0.14 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 1gxg h LYS 31 Cb 0.54 -0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1gxg h LYS 31 CO 0.03 0.86 0.10 1.96 -2.81 0.00 0.00 179.45 179.59 1gxg h GLN 32 N 1.08 0.50 -0.84 1.90 4.20 -1.24 -1.21 115.11 119.50 1gxg h GLN 32 Ca 0.26 -0.11 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1gxg h GLN 32 Cb 0.12 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.77 1gxg h GLN 32 CO -0.03 0.54 0.51 0.22 -0.67 0.00 0.00 178.83 179.40 1gxg h ASP 33 N 0.36 0.78 -0.53 1.46 3.58 -0.55 0.36 116.42 121.88 1gxg h ASP 33 Ca 0.10 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.48 1gxg h ASP 33 Cb 0.25 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1gxg h ASP 33 CO -0.00 0.48 -0.05 -0.78 -2.88 0.00 0.00 179.24 176.01 1gxg h ASP 34 N 0.91 0.96 -0.55 2.28 3.58 -0.90 0.68 116.42 123.38 1gxg h ASP 34 Ca 0.38 -0.33 0.05 0.00 0.42 0.00 0.00 57.03 57.55 1gxg h ASP 34 Cb 0.23 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 40.97 1gxg h ASP 34 CO -0.19 1.06 0.28 -1.13 -2.88 0.00 0.00 179.24 176.38 1gxg h ASN 35 N 0.84 0.41 0.08 2.28 -1.24 -0.83 0.96 115.58 118.08 1gxg h ASN 35 Ca 0.14 0.03 -0.14 0.00 0.71 0.00 0.00 56.30 57.05 1gxg h ASN 35 Cb 0.60 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.59 1gxg h ASN 35 CO 0.04 0.28 -0.46 -0.07 -1.29 0.00 0.00 177.43 175.92 1gxg h LEU 36 N 0.55 0.49 0.09 0.34 3.38 0.20 0.48 115.31 120.84 1gxg h LEU 36 Ca 0.25 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1gxg h LEU 36 Cb 0.15 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1gxg h LEU 36 CO -0.17 0.88 -0.28 -0.08 0.09 0.00 0.00 178.44 178.88 1gxg h GLU 37 N 0.37 -0.46 -0.76 1.13 4.22 -1.42 -2.04 114.58 115.61 1gxg h GLU 37 Ca 0.02 0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.54 1gxg h GLU 37 Cb 0.95 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1gxg h GLU 37 CO 0.08 -0.31 0.47 1.25 -2.18 0.00 0.00 179.01 178.33 1gxg h HIS 38 N -0.48 0.88 0.00 0.92 2.76 -0.77 0.98 115.15 119.44 1gxg h HIS 38 Ca 0.04 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1gxg h HIS 38 Cb 0.52 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1gxg h HIS 38 CO -0.27 0.48 -0.02 0.35 -1.30 0.00 0.00 177.93 177.17 1gxg h PHE 39 N 0.90 0.00 0.04 5.26 3.57 -0.07 0.83 116.94 127.47 1gxg h PHE 39 Ca 0.32 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 1gxg h PHE 39 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1gxg h PHE 39 CO -0.04 0.02 -0.02 0.82 -2.23 0.00 0.00 178.31 176.86 1gxg h ILE 40 N 0.00 1.32 0.47 1.41 5.03 -0.37 -3.39 117.51 121.98 1gxg h ILE 40 Ca -0.00 -1.64 -0.02 0.00 -0.12 0.00 0.00 64.86 63.09 1gxg h ILE 40 Cb 0.18 2.33 -0.01 0.00 -3.03 0.00 0.00 36.82 36.29 1gxg h ILE 40 CO 0.00 0.39 -0.38 -1.28 -0.68 0.00 0.00 178.15 176.20 1gxg h SER 41 N -0.84 -1.02 -0.43 1.72 0.87 0.15 0.47 113.55 114.47 1gxg h SER 41 Ca -0.01 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1gxg h SER 41 Cb 0.68 0.32 -0.02 0.00 -0.44 0.00 0.00 62.40 62.94 1gxg h SER 41 CO 0.01 -0.54 0.16 -0.37 -0.53 0.00 0.00 176.83 175.56 1gxg h VAL 42 N -0.83 1.20 0.23 2.23 -1.51 -1.64 -3.32 116.25 112.60 1gxg h VAL 42 Ca -0.06 -0.67 -0.34 0.00 -1.23 0.00 0.00 66.70 64.41 1gxg h VAL 42 Cb 0.70 0.66 0.03 0.00 -2.13 0.00 0.00 31.29 30.54 1gxg h VAL 42 CO 0.00 0.25 -1.53 0.74 -1.23 0.00 0.00 177.57 175.80 1gxg h THR 43 N 0.71 1.22 0.00 7.19 2.02 -1.61 -3.09 112.91 119.35 1gxg h THR 43 Ca 0.17 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 64.65 1gxg h THR 43 Cb 0.21 2.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 1gxg h THR 43 CO -0.01 0.83 0.00 1.21 0.37 0.00 0.00 175.52 177.92 1gxg n GLU 44 N -3.67 0.00 -2.30 6.66 2.13 0.10 -4.95 120.64 118.62 1gxg n GLU 44 Ca -0.18 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.21 1gxg n GLU 44 Cb 1.09 -3.93 -0.02 0.00 0.27 0.00 0.00 31.44 28.85 1gxg n GLU 44 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1gxg s HIS 45 N -1.82 2.32 0.44 4.31 2.46 -1.26 -4.90 115.29 116.84 1gxg s HIS 45 Ca 0.00 0.67 0.10 0.00 0.47 0.00 0.00 55.06 56.30 1gxg s HIS 45 Cb 0.00 -4.26 0.98 0.00 -0.13 0.00 0.00 32.58 29.17 1gxg s HIS 45 CO 0.00 -2.14 2.07 -1.00 -2.47 0.00 0.00 174.74 171.20 1gxg h PRO 46 N 10.94 0.33 -0.91 2.88 0.13 -1.94 -1.20 132.00 142.24 1gxg h PRO 46 Ca -0.28 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 64.94 1gxg h PRO 46 Cb 1.11 -0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 1gxg h PRO 46 CO 1.07 0.25 0.58 0.77 -0.23 0.00 0.00 178.00 180.45 1gxg h SER 47 N 0.34 0.75 0.00 1.44 0.02 -1.99 -3.48 113.55 110.63 1gxg h SER 47 Ca 0.09 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1gxg h SER 47 Cb 0.01 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1gxg h SER 47 CO -0.02 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1gxg n GLY 48 N -1.41 3.03 0.00 -3.77 0.00 -0.45 -2.13 105.19 100.46 1gxg n GLY 48 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1gxg n GLY 48 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gxg n SER 49 N 2.85 0.01 0.05 1.61 7.64 -1.26 -2.83 113.62 121.69 1gxg n SER 49 Ca 0.00 0.43 0.05 0.00 1.01 0.00 0.00 58.87 60.36 1gxg n SER 49 Cb 0.00 -0.43 0.47 0.00 -1.01 0.00 0.00 64.21 63.23 1gxg n SER 49 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1gxg h ASP 50 N 0.00 0.37 0.45 6.43 3.58 -1.82 0.20 116.42 125.63 1gxg h ASP 50 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1gxg h ASP 50 Cb 0.14 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1gxg h ASP 50 CO 0.00 0.28 0.00 0.18 -2.88 0.00 0.00 179.24 176.82 1gxg n LEU 51 N -4.48 0.00 -0.02 2.28 4.32 -1.13 -1.37 117.00 116.60 1gxg n LEU 51 Ca 0.02 0.45 -0.02 0.00 -0.02 0.00 0.00 56.01 56.43 1gxg n LEU 51 Cb 0.07 -0.45 -0.02 0.00 -1.62 0.00 0.00 43.42 41.41 1gxg n LEU 51 CO 0.35 -0.22 -0.61 -0.38 -1.22 0.00 0.00 177.39 175.31 1gxg n ILE 52 N -1.45 0.20 -0.01 -0.08 5.41 -0.27 -4.48 119.36 118.68 1gxg n ILE 52 Ca 0.04 -0.08 0.05 0.00 1.00 0.00 0.00 62.75 63.77 1gxg n ILE 52 Cb 0.16 -0.63 -0.09 0.00 -0.71 0.00 0.00 39.64 38.36 1gxg n ILE 52 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1gxg n TYR 53 N -2.59 0.00 -2.17 1.39 4.01 0.54 -4.63 117.16 113.72 1gxg n TYR 53 Ca -0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.56 1gxg n TYR 53 Cb 0.57 -0.31 0.06 0.00 -0.31 0.00 0.00 39.34 39.35 1gxg n TYR 53 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1gxg n TYR 54 N -1.98 1.76 -1.09 -0.72 4.01 -0.47 -5.04 117.16 113.63 1gxg n TYR 54 Ca -0.04 -1.96 -0.32 0.00 -0.16 0.00 0.00 57.90 55.42 1gxg n TYR 54 Cb 0.38 -0.29 0.12 0.00 -0.31 0.00 0.00 39.34 39.24 1gxg n TYR 54 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1gxg s PRO 55 N -3.33 1.70 0.00 -0.72 0.04 -1.17 -4.80 135.00 126.72 1gxg s PRO 55 Ca 0.42 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1gxg s PRO 55 Cb 0.38 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 33.12 1gxg s PRO 55 CO -0.01 -2.12 0.00 -0.85 0.04 0.00 0.00 177.00 174.06 1gxg n GLU 56 N -3.54 2.84 -0.02 4.56 -0.00 -1.26 -5.02 120.64 118.21 1gxg n GLU 56 Ca 0.12 0.00 0.13 0.00 -0.00 0.00 0.00 57.16 57.40 1gxg n GLU 56 Cb 0.52 0.00 0.32 0.00 -0.00 0.00 0.00 31.44 32.27 1gxg n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gxg n GLY 57 N 5.00 0.55 0.20 -1.84 0.00 -1.26 -2.19 105.19 105.64 1gxg n GLY 57 Ca 0.00 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1gxg n GLY 57 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1gxg h ASN 58 N 3.46 0.00 -3.29 1.61 -1.24 -2.02 -3.48 115.58 110.63 1gxg h ASN 58 Ca 0.00 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.43 1gxg h ASN 58 Cb 0.74 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.72 1gxg h ASN 58 CO 0.00 0.00 -0.10 0.21 -1.29 0.00 0.00 177.43 176.25 1gxg s ASN 59 N -5.56 6.80 0.00 1.15 3.84 -0.93 -4.95 114.94 115.29 1gxg s ASN 59 Ca 0.06 0.95 0.27 0.00 0.21 0.00 0.00 52.86 54.36 1gxg s ASN 59 Cb 0.08 -2.31 0.86 0.00 -0.55 0.00 0.00 41.25 39.33 1gxg s ASN 59 CO 0.60 0.06 1.63 -0.90 -2.79 0.00 0.00 177.10 175.70 1gxg n ASP 60 N 3.18 1.14 0.00 -4.21 5.75 -1.26 -4.90 116.55 116.25 1gxg n ASP 60 Ca -0.07 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 53.65 1gxg n ASP 60 Cb 0.51 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 1gxg n ASP 60 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gxg n GLY 61 N 1.29 0.33 4.01 6.12 0.00 -1.26 -4.98 105.19 110.69 1gxg n GLY 61 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1gxg n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gxg s SER 62 N -2.28 4.58 0.10 1.61 1.04 -1.26 -4.98 113.70 112.51 1gxg s SER 62 Ca 0.00 -0.51 0.13 0.00 0.48 0.00 0.00 55.95 56.04 1gxg s SER 62 Cb 0.00 0.08 0.58 0.00 0.10 0.00 0.00 66.02 66.78 1gxg s SER 62 CO 0.00 -1.70 1.39 -0.81 0.98 0.00 0.00 173.24 173.11 1gxg n PRO 63 N -2.65 0.06 0.15 4.02 -0.04 -1.26 -3.69 135.00 131.59 1gxg n PRO 63 Ca 0.15 0.42 -0.07 0.00 -0.04 0.00 0.00 63.50 63.96 1gxg n PRO 63 Cb 0.61 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1gxg n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1gxg h GLU 64 N 0.00 -0.45 0.00 0.54 4.39 -1.96 -2.86 114.58 114.24 1gxg h GLU 64 Ca 0.00 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1gxg h GLU 64 Cb 0.15 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1gxg h GLU 64 CO 0.00 -0.30 -0.02 0.00 -1.16 0.00 0.00 179.01 177.53 1gxg h ALA 65 N -1.20 1.81 -0.28 3.43 0.00 -1.94 0.05 119.26 121.13 1gxg h ALA 65 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1gxg h ALA 65 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1gxg h ALA 65 CO 0.08 0.03 -0.11 0.28 0.00 0.00 0.00 179.25 179.53 1gxg h VAL 66 N 0.00 1.29 -0.75 0.00 2.07 -1.69 -0.08 116.25 117.09 1gxg h VAL 66 Ca -0.00 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.38 1gxg h VAL 66 Cb 0.04 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1gxg h VAL 66 CO 0.00 0.37 0.48 0.40 0.02 0.00 0.00 177.57 178.84 1gxg h ILE 67 N 0.30 1.11 0.16 4.57 5.03 -0.79 0.47 117.51 128.37 1gxg h ILE 67 Ca 0.06 -0.32 0.00 0.00 -0.12 0.00 0.00 64.86 64.49 1gxg h ILE 67 Cb 0.61 0.10 -0.03 0.00 -3.03 0.00 0.00 36.82 34.47 1gxg h ILE 67 CO 0.04 0.17 -0.35 0.11 -0.68 0.00 0.00 178.15 177.43 1gxg h LYS 68 N 0.93 -0.54 0.00 2.37 1.57 -1.19 0.63 116.57 120.33 1gxg h LYS 68 Ca 0.30 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1gxg h LYS 68 Cb 0.02 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1gxg h LYS 68 CO -0.11 -0.36 -0.01 1.49 -0.57 0.00 0.00 179.45 179.88 1gxg h GLU 69 N -0.56 0.00 0.11 3.15 4.22 -0.10 0.39 114.58 121.79 1gxg h GLU 69 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1gxg h GLU 69 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1gxg h GLU 69 CO -0.15 0.01 -0.05 0.82 -2.18 0.00 0.00 179.01 177.46 1gxg h ILE 70 N 0.00 0.89 -0.76 2.32 5.03 -0.48 0.26 117.51 124.76 1gxg h ILE 70 Ca -0.00 -1.33 0.12 0.00 -0.12 0.00 0.00 64.86 63.52 1gxg h ILE 70 Cb 0.06 1.56 -0.13 0.00 -3.03 0.00 0.00 36.82 35.29 1gxg h ILE 70 CO 0.00 0.26 -0.41 0.11 -0.68 0.00 0.00 178.15 177.43 1gxg h LYS 71 N -0.91 -0.11 0.21 2.37 1.79 0.60 -0.82 116.57 119.70 1gxg h LYS 71 Ca -0.01 0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.19 1gxg h LYS 71 Cb 0.53 0.02 0.03 0.00 -1.58 0.00 0.00 32.23 31.24 1gxg h LYS 71 CO 0.02 -0.07 -1.21 0.93 -1.08 0.00 0.00 179.45 178.04 1gxg h GLU 72 N -0.11 0.44 -0.21 3.15 3.07 -0.22 0.30 114.58 120.99 1gxg h GLU 72 Ca 0.25 -0.75 0.06 0.00 -0.50 0.00 0.00 59.36 58.42 1gxg h GLU 72 Cb 0.56 0.28 -0.06 0.00 -0.84 0.00 0.00 28.75 28.69 1gxg h GLU 72 CO -0.81 1.36 -0.18 2.35 -1.40 0.00 0.00 179.01 180.33 1gxg h TRP 73 N -0.08 -0.45 0.01 4.33 7.01 -0.56 0.12 115.95 126.34 1gxg h TRP 73 Ca -0.21 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.82 1gxg h TRP 73 Cb 1.95 0.23 0.00 0.00 -2.10 0.00 0.00 29.16 29.24 1gxg h TRP 73 CO 0.16 -0.25 -0.00 0.00 -2.79 0.00 0.00 178.44 175.55 1gxg h ARG 74 N -0.18 -0.01 -0.63 2.65 2.47 -0.81 0.18 114.38 118.04 1gxg h ARG 74 Ca 0.13 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.76 1gxg h ARG 74 Cb 0.37 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.67 1gxg h ARG 74 CO -0.32 0.12 0.07 0.00 0.56 0.00 0.00 179.97 180.40 1gxg h ALA 75 N 0.84 0.93 -0.78 0.04 0.00 -0.86 0.24 119.26 119.68 1gxg h ALA 75 Ca -0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1gxg h ALA 75 Cb 0.14 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1gxg h ALA 75 CO 0.00 0.66 0.37 0.00 0.00 0.00 0.00 179.25 180.28 1gxg h ALA 76 N 1.08 1.00 0.00 0.00 0.00 -0.60 -0.19 119.26 120.55 1gxg h ALA 76 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gxg h ALA 76 Cb 0.46 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1gxg h ALA 76 CO 0.02 0.56 0.00 0.09 0.00 0.00 0.00 179.25 179.92 1gxg n ASN 77 N -4.37 0.00 0.00 0.00 3.02 0.04 -4.89 115.26 109.05 1gxg n ASN 77 Ca 0.07 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 1gxg n ASN 77 Cb 0.13 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1gxg n ASN 77 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gxg n GLY 78 N -0.05 0.56 3.79 7.41 0.00 -0.08 -5.05 105.19 111.77 1gxg n GLY 78 Ca 0.07 -0.44 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 1gxg n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gxg s LYS 79 N -0.91 2.65 0.07 1.61 1.02 0.75 -4.96 119.74 119.96 1gxg s LYS 79 Ca 0.00 -1.30 -0.31 0.00 0.02 0.00 0.00 55.97 54.38 1gxg s LYS 79 Cb 0.00 -2.40 -0.08 0.00 -0.52 0.00 0.00 37.83 34.84 1gxg s LYS 79 CO 0.00 0.21 1.52 -1.54 -0.92 0.00 0.00 175.35 174.62 1gxg s SER 80 N -3.89 6.71 0.10 2.83 1.04 -1.26 -3.60 113.70 115.64 1gxg s SER 80 Ca 0.37 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1gxg s SER 80 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1gxg s SER 80 CO 0.24 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1gxg n GLY 81 N 3.78 -1.42 0.64 7.32 0.00 -1.26 -4.77 105.19 109.48 1gxg n GLY 81 Ca 0.14 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 1gxg n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gxg n PHE 82 N -0.44 -2.43 -0.98 1.61 3.72 -1.26 -3.85 117.46 113.83 1gxg n PHE 82 Ca 0.00 -0.17 -0.34 0.00 -0.05 0.00 0.00 57.45 56.90 1gxg n PHE 82 Cb 0.00 -0.25 0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1gxg n PHE 82 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1gxg n LYS 83 N -2.72 0.00 -0.46 -1.08 3.00 0.17 -4.79 118.16 112.29 1gxg n LYS 83 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.30 1gxg n LYS 83 Cb 0.12 -0.91 -0.05 0.00 0.00 0.00 0.00 35.03 34.19 1gxg n LYS 83 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1gxg n GLN 84 N 1.98 0.92 0.00 1.64 7.27 -1.26 -4.67 117.38 123.26 1gxg n GLN 84 Ca 0.01 -0.29 0.00 0.00 0.07 0.00 0.00 57.00 56.79 1gxg n GLN 84 Cb 0.48 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.66 1gxg n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54