#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g1x n LEU 31 N 0.00 0.00 -0.00 -2.67 4.77 -1.26 -2.70 117.00 115.14 1g1x n LEU 31 Ca 0.00 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.50 1g1x n LEU 31 Cb 0.00 -0.42 -0.12 0.00 -2.33 0.00 0.00 43.42 40.55 1g1x n LEU 31 CO 0.00 -0.10 -0.05 0.54 -1.33 0.00 0.00 177.39 176.45 1g1x n ARG 32 N -1.42 0.00 -2.34 3.23 1.74 -1.26 -4.33 116.66 112.27 1g1x n ARG 32 Ca 0.07 -0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.75 1g1x n ARG 32 Cb 0.23 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1g1x n ARG 32 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1g1x s ASP 33 N -3.00 5.88 -0.06 0.55 2.15 -1.10 -4.85 116.67 116.24 1g1x s ASP 33 Ca 0.08 0.02 0.02 0.00 0.43 0.00 0.00 52.55 53.10 1g1x s ASP 33 Cb 0.16 -2.55 0.16 0.00 -0.30 0.00 0.00 42.92 40.39 1g1x s ASP 33 CO 0.87 -1.97 0.86 0.00 -0.17 0.00 0.00 175.17 174.76 1g1x n TYR 34 N 10.48 0.47 0.00 -5.34 0.18 -1.26 -3.85 117.16 117.84 1g1x n TYR 34 Ca 0.11 -0.30 0.00 0.00 1.88 0.00 0.00 57.90 59.60 1g1x n TYR 34 Cb 0.50 -0.23 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 1g1x n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1g1x n ARG 35 N 0.14 3.58 -1.03 -3.48 1.74 -1.26 -4.17 116.66 112.17 1g1x n ARG 35 Ca 0.07 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.80 1g1x n ARG 35 Cb 0.51 -0.38 -0.04 0.00 -1.02 0.00 0.00 32.46 31.53 1g1x n ARG 35 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1g1x n ASN 36 N -0.61 3.64 -0.26 0.55 4.05 -1.25 -4.62 115.26 116.77 1g1x n ASN 36 Ca 0.00 -2.55 0.01 0.00 0.45 0.00 0.00 54.58 52.49 1g1x n ASN 36 Cb 0.00 -1.15 0.08 0.00 1.23 0.00 0.00 39.78 39.95 1g1x n ASN 36 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 1g1x h VAL 37 N 4.02 0.24 -0.29 3.44 2.07 -1.91 0.24 116.25 124.06 1g1x h VAL 37 Ca 0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.01 1g1x h VAL 37 Cb 0.46 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1g1x h VAL 37 CO 1.76 0.00 -0.17 -0.62 0.02 0.00 0.00 177.57 178.55 1g1x n GLU 38 N -5.49 -0.13 -0.03 1.57 -0.58 -1.26 0.18 120.64 114.89 1g1x n GLU 38 Ca 0.10 0.86 -0.15 0.00 -0.42 0.00 0.00 57.16 57.55 1g1x n GLU 38 Cb 0.38 -1.27 -0.12 0.00 -0.57 0.00 0.00 31.44 29.86 1g1x n GLU 38 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 1g1x h VAL 39 N 0.00 1.60 -0.56 2.62 3.04 -1.63 -3.31 116.25 118.01 1g1x h VAL 39 Ca 0.05 -2.05 0.09 0.00 -1.01 0.00 0.00 66.70 63.78 1g1x h VAL 39 Cb 0.12 2.94 -0.07 0.00 -2.01 0.00 0.00 31.29 32.27 1g1x h VAL 39 CO -0.28 0.55 0.16 -0.07 -1.01 0.00 0.00 177.57 176.92 1g1x h LEU 40 N -0.63 0.09 -0.98 3.16 3.38 -0.30 0.44 115.31 120.47 1g1x h LEU 40 Ca -0.03 0.09 0.34 0.00 0.09 0.00 0.00 57.88 58.37 1g1x h LEU 40 Cb 1.02 0.10 -0.17 0.00 0.09 0.00 0.00 40.66 41.71 1g1x h LEU 40 CO 0.04 0.07 0.38 0.50 0.09 0.00 0.00 178.44 179.52 1g1x h LYS 41 N 0.31 0.10 -0.01 1.13 3.64 0.17 0.76 116.57 122.67 1g1x h LYS 41 Ca 0.28 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1g1x h LYS 41 Cb 0.38 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1g1x h LYS 41 CO -0.33 0.07 0.44 0.00 -2.27 0.00 0.00 179.45 177.36 1g1x h ARG 42 N 0.10 0.00 -0.29 1.90 2.47 -0.19 -1.93 114.38 116.44 1g1x h ARG 42 Ca 0.72 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.44 1g1x h ARG 42 Cb 1.73 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.05 1g1x h ARG 42 CO -0.75 0.00 0.00 1.19 0.56 0.00 0.00 179.97 180.97 1g1x n PHE 43 N -2.83 0.36 -3.78 3.04 3.01 0.26 -4.94 117.46 112.58 1g1x n PHE 43 Ca -0.02 -0.18 -0.36 0.00 1.01 0.00 0.00 57.45 57.90 1g1x n PHE 43 Cb 0.49 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.89 1g1x n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1g1x s LEU 44 N -1.64 4.33 0.08 4.37 1.43 -0.73 -0.83 118.68 125.70 1g1x s LEU 44 Ca 0.36 0.45 -0.31 0.00 -1.03 0.00 0.00 54.13 53.60 1g1x s LEU 44 Cb 0.22 -2.14 -0.16 0.00 0.03 0.00 0.00 46.19 44.14 1g1x s LEU 44 CO 0.31 0.31 1.63 0.77 0.23 0.00 0.00 176.35 179.61 1g1x h SER 45 N 5.59 -0.75 -2.47 2.29 4.64 -1.92 -3.47 113.55 117.46 1g1x h SER 45 Ca -0.49 0.05 0.13 0.00 -0.47 0.00 0.00 61.79 61.00 1g1x h SER 45 Cb 1.20 0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 63.45 1g1x h SER 45 CO 0.65 -0.47 -0.61 0.29 -0.87 0.00 0.00 176.83 175.82 1g1x n LYS 49 N -5.43 -1.82 -2.97 4.77 5.02 -1.26 -5.07 118.16 111.40 1g1x n LYS 49 Ca -0.11 1.47 -0.41 0.00 -2.02 0.00 0.00 58.31 57.23 1g1x n LYS 49 Cb 0.33 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 33.03 1g1x n LYS 49 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1g1x s ILE 50 N -4.70 4.91 0.24 -0.18 1.01 -1.26 -5.03 121.20 116.19 1g1x s ILE 50 Ca 0.00 1.44 -0.31 0.00 0.00 0.00 0.00 60.65 61.78 1g1x s ILE 50 Cb 0.00 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 1g1x s ILE 50 CO 0.00 0.00 1.58 -0.76 0.00 0.00 0.00 174.94 175.76 1g1x s LEU 51 N 2.43 4.36 0.52 2.97 1.43 -0.01 -5.00 118.68 125.38 1g1x s LEU 51 Ca 0.33 2.79 -0.19 0.00 -1.03 0.00 0.00 54.13 56.03 1g1x s LEU 51 Cb -0.16 -3.62 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 1g1x s LEU 51 CO 0.09 -0.86 1.06 -2.16 0.23 0.00 0.00 176.35 174.72 1g1x s PRO 52 N 0.24 3.62 -0.83 1.29 0.04 -1.26 -4.67 135.00 133.43 1g1x s PRO 52 Ca 0.66 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 1g1x s PRO 52 Cb -0.46 -2.06 -0.17 0.00 0.04 0.00 0.00 34.50 31.85 1g1x s PRO 52 CO 0.40 -0.59 2.36 0.54 0.04 0.00 0.00 177.00 179.75 1g1x n ARG 53 N -1.21 0.46 -1.76 4.56 1.74 -1.26 -4.91 116.66 114.28 1g1x n ARG 53 Ca 0.10 -0.78 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1g1x n ARG 53 Cb 0.52 -3.35 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 1g1x n ARG 53 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1g1x n THR 56 N 8.37 -5.68 0.26 0.55 5.66 -1.26 -5.03 114.28 117.15 1g1x n THR 56 Ca 0.49 1.45 0.15 0.00 -3.05 0.00 0.00 64.05 63.08 1g1x n THR 56 Cb 0.40 -2.60 0.75 0.00 -1.55 0.00 0.00 70.33 67.32 1g1x n THR 56 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1g1x h GLY 57 N 3.61 0.00 -2.76 1.09 0.00 -1.98 -3.45 103.07 99.59 1g1x h GLY 57 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1g1x h GLY 57 CO 0.00 0.00 -1.42 1.04 0.00 0.00 0.00 176.54 176.16 1g1x n LEU 58 N -2.55 -4.06 -5.01 3.11 4.77 -1.26 -5.02 117.00 106.98 1g1x n LEU 58 Ca -0.01 0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 56.04 1g1x n LEU 58 Cb 0.11 -0.90 0.05 0.00 -2.33 0.00 0.00 43.42 40.34 1g1x n LEU 58 CO 0.16 -5.21 0.32 -0.94 -1.33 0.00 0.00 177.39 170.39 1g1x s SER 59 N -1.29 5.19 0.07 -1.43 1.04 -1.26 -4.80 113.70 111.22 1g1x s SER 59 Ca 0.47 -0.50 -0.20 0.00 0.48 0.00 0.00 55.95 56.19 1g1x s SER 59 Cb -0.21 -0.24 -0.07 0.00 0.10 0.00 0.00 66.02 65.59 1g1x s SER 59 CO 0.77 -1.21 1.33 1.23 0.98 0.00 0.00 173.24 176.34 1g1x h GLY 60 N 0.20 -1.32 1.44 7.32 0.00 -1.95 0.15 103.07 108.92 1g1x h GLY 60 Ca -0.36 0.71 -0.07 0.00 0.00 0.00 0.00 47.33 47.61 1g1x h GLY 60 CO 0.44 -0.36 -0.04 1.70 0.00 0.00 0.00 176.54 178.28 1g1x h LYS 61 N -0.31 0.68 0.43 4.80 3.64 -2.03 -3.07 116.57 120.70 1g1x h LYS 61 Ca 0.03 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 1g1x h LYS 61 Cb 0.39 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1g1x h LYS 61 CO -0.30 0.72 -0.29 0.93 -2.27 0.00 0.00 179.45 178.24 1g1x h GLU 62 N 0.63 -0.67 -6.88 1.90 5.08 -1.75 -3.34 114.58 109.55 1g1x h GLU 62 Ca 0.12 0.05 -0.38 0.00 -1.00 0.00 0.00 59.36 58.15 1g1x h GLU 62 Cb 0.45 0.15 0.21 0.00 0.50 0.00 0.00 28.75 30.06 1g1x h GLU 62 CO 0.02 -0.45 -0.20 0.94 -1.00 0.00 0.00 179.01 178.33 1g1x n GLN 63 N -5.42 -3.79 0.00 2.33 -0.06 0.48 -2.10 117.38 108.82 1g1x n GLN 63 Ca -0.11 -1.11 0.00 0.00 -2.00 0.00 0.00 57.00 53.78 1g1x n GLN 63 Cb 0.32 -1.94 0.00 0.00 -4.06 0.00 0.00 30.24 24.56 1g1x n GLN 63 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1g1x n ARG 64 N -4.98 0.00 -0.06 3.69 0.63 -1.26 -4.09 116.66 110.59 1g1x n ARG 64 Ca 0.09 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.88 1g1x n ARG 64 Cb 0.56 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.40 1g1x n ARG 64 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1g1x h ILE 65 N 0.00 1.35 0.21 5.15 2.04 -1.63 -1.77 117.51 122.86 1g1x h ILE 65 Ca 0.00 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.43 1g1x h ILE 65 Cb 0.00 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1g1x h ILE 65 CO 0.00 0.42 -0.23 0.25 0.00 0.00 0.00 178.15 178.59 1g1x h LEU 66 N 0.04 -0.64 -0.86 1.44 5.85 -1.57 -2.32 115.31 117.25 1g1x h LEU 66 Ca 0.02 0.05 0.26 0.00 0.84 0.00 0.00 57.88 59.05 1g1x h LEU 66 Cb 0.77 0.21 -0.16 0.00 0.37 0.00 0.00 40.66 41.86 1g1x h LEU 66 CO 0.05 -0.30 0.10 0.00 -0.34 0.00 0.00 178.44 177.95 1g1x n ALA 67 N -2.52 0.52 -0.13 1.25 0.00 -1.14 0.61 120.51 119.09 1g1x n ALA 67 Ca -0.05 0.92 -0.09 0.00 0.00 0.00 0.00 53.44 54.21 1g1x n ALA 67 Cb 0.21 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 18.99 1g1x n ALA 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1g1x h LYS 68 N 0.00 0.91 -0.13 0.00 1.57 -1.02 0.22 116.57 118.12 1g1x h LYS 68 Ca 0.56 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1g1x h LYS 68 Cb 1.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1g1x h LYS 68 CO -0.79 1.02 0.02 1.15 -0.57 0.00 0.00 179.45 180.29 1g1x h THR 69 N 0.80 1.21 -0.69 -0.16 2.02 0.72 0.36 112.91 117.17 1g1x h THR 69 Ca 0.11 -0.68 0.08 0.00 0.77 0.00 0.00 66.41 66.70 1g1x h THR 69 Cb 0.74 1.41 -0.07 0.00 -1.74 0.00 0.00 68.15 68.50 1g1x h THR 69 CO 0.06 0.20 0.34 0.40 0.37 0.00 0.00 175.52 176.89 1g1x h ILE 70 N 0.00 0.87 -0.68 3.11 2.04 -0.53 0.37 117.51 122.70 1g1x h ILE 70 Ca 0.04 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1g1x h ILE 70 Cb 0.29 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1g1x h ILE 70 CO 0.00 0.11 0.42 0.11 0.00 0.00 0.00 178.15 178.79 1g1x h LYS 71 N 0.60 0.90 0.09 2.37 1.57 0.16 -0.26 116.57 122.00 1g1x h LYS 71 Ca 0.33 -0.07 -0.26 0.00 -1.87 0.00 0.00 60.65 58.79 1g1x h LYS 71 Cb 0.33 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1g1x h LYS 71 CO -0.25 0.62 -1.14 0.00 -0.57 0.00 0.00 179.45 178.11 1g1x h ARG 72 N 0.92 0.32 0.03 3.15 3.08 0.38 -3.02 114.38 119.24 1g1x h ARG 72 Ca 0.25 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1g1x h ARG 72 Cb -0.06 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1g1x h ARG 72 CO -0.05 1.18 -0.10 0.00 -1.07 0.00 0.00 179.97 179.93 1g1x h ALA 73 N 0.64 -0.66 -0.81 0.04 0.00 0.45 -1.43 119.26 117.48 1g1x h ALA 73 Ca -0.12 -0.02 0.31 0.00 0.00 0.00 0.00 54.91 55.08 1g1x h ALA 73 Cb 1.83 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 19.99 1g1x h ALA 73 CO 0.19 -0.69 0.31 0.54 0.00 0.00 0.00 179.25 179.61 1g1x n ARG 74 N -3.01 -0.05 0.21 0.00 1.74 -0.18 0.15 116.66 115.51 1g1x n ARG 74 Ca -0.02 1.15 0.08 0.00 -0.77 0.00 0.00 57.85 58.29 1g1x n ARG 74 Cb 0.08 -1.99 0.43 0.00 -1.02 0.00 0.00 32.46 29.95 1g1x n ARG 74 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1g1x h ILE 75 N 0.00 0.77 -0.46 0.55 2.04 -1.14 -2.18 117.51 117.08 1g1x h ILE 75 Ca 0.63 -1.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 1g1x h ILE 75 Cb 1.59 1.78 -0.05 0.00 -0.74 0.00 0.00 36.82 39.41 1g1x h ILE 75 CO -0.67 0.29 0.10 0.18 0.00 0.00 0.00 178.15 178.05 1g1x n LEU 76 N -3.55 4.57 -1.32 1.44 4.77 0.39 -4.87 117.00 118.43 1g1x n LEU 76 Ca -0.00 -2.34 -0.13 0.00 -0.03 0.00 0.00 56.01 53.50 1g1x n LEU 76 Cb 0.44 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 1g1x n LEU 76 CO 0.35 0.59 -0.12 0.61 -1.33 0.00 0.00 177.39 177.49 1g1x n GLY 77 N 0.19 1.20 0.12 -0.72 0.00 -0.82 -4.77 105.19 100.40 1g1x n GLY 77 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1g1x n GLY 77 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g1x h LEU 78 N 0.00 0.00 -8.37 0.99 3.38 -1.73 -3.45 115.31 106.12 1g1x h LEU 78 Ca -0.26 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.20 1g1x h LEU 78 Cb 0.85 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.33 1g1x h LEU 78 CO 0.38 0.20 -0.82 -0.76 0.09 0.00 0.00 178.44 177.53 1g1x s LEU 79 N -5.63 2.11 0.74 1.67 1.43 -1.25 -4.90 118.68 112.84 1g1x s LEU 79 Ca -0.00 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.57 1g1x s LEU 79 Cb 0.09 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1g1x s LEU 79 CO 0.78 0.14 1.11 -2.16 0.23 0.00 0.00 176.35 176.46 1g1x s PRO 80 N -0.84 2.57 -0.17 1.29 0.04 -1.26 -3.96 135.00 132.66 1g1x s PRO 80 Ca 0.05 0.41 -0.10 0.00 0.04 0.00 0.00 61.00 61.40 1g1x s PRO 80 Cb -0.07 -1.99 -0.22 0.00 0.04 0.00 0.00 34.50 32.25 1g1x s PRO 80 CO 0.01 -1.23 0.18 1.19 0.04 0.00 0.00 177.00 177.19 1g1x n PHE 81 N -3.13 0.92 -1.63 0.56 3.01 -1.26 -4.85 117.46 111.09 1g1x n PHE 81 Ca 0.07 0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.78 1g1x n PHE 81 Cb 0.58 -1.11 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1g1x n PHE 81 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40