#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gb1 s THR 2 N 0.00 5.20 0.08 3.17 2.01 -1.26 -2.48 115.64 122.36 3gb1 s THR 2 Ca 0.00 0.79 0.07 0.00 0.31 0.00 0.00 61.69 62.87 3gb1 s THR 2 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3gb1 s THR 2 CO 0.00 0.39 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.87 3gb1 s TYR 3 N 0.28 2.64 -0.02 4.92 2.02 -0.96 -4.96 117.35 121.26 3gb1 s TYR 3 Ca 0.22 -0.21 0.06 0.00 -0.37 0.00 0.00 57.07 56.77 3gb1 s TYR 3 Cb -0.15 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 3gb1 s TYR 3 CO 0.09 0.36 -0.19 0.21 -1.57 0.00 0.00 175.55 174.44 3gb1 s LYS 4 N -1.89 2.29 -0.10 -0.62 2.20 -1.14 -2.53 119.74 117.95 3gb1 s LYS 4 Ca 0.18 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 3gb1 s LYS 4 Cb -0.11 -2.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 3gb1 s LYS 4 CO 0.10 0.59 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.27 3gb1 s LEU 5 N -0.81 2.07 -0.22 5.43 2.96 0.07 -0.70 118.68 127.47 3gb1 s LEU 5 Ca 0.11 -0.55 -0.07 0.00 -0.22 0.00 0.00 54.13 53.41 3gb1 s LEU 5 Cb -0.10 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3gb1 s LEU 5 CO 0.01 0.15 0.04 -0.63 -1.32 0.00 0.00 176.35 174.60 3gb1 s ILE 6 N 0.40 4.24 -0.30 6.68 1.01 -0.95 -1.73 121.20 130.54 3gb1 s ILE 6 Ca -0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 3gb1 s ILE 6 Cb -0.18 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.33 3gb1 s ILE 6 CO 0.08 0.38 0.15 -0.76 0.00 0.00 0.00 174.94 174.79 3gb1 s LEU 7 N 1.26 4.04 -0.76 2.97 1.43 0.96 -3.11 118.68 125.47 3gb1 s LEU 7 Ca 0.04 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 3gb1 s LEU 7 Cb -0.15 -2.01 0.26 0.00 0.03 0.00 0.00 46.19 44.32 3gb1 s LEU 7 CO 0.03 -0.17 0.90 0.59 0.23 0.00 0.00 176.35 177.93 3gb1 n ASN 8 N 4.99 4.35 -4.91 2.29 3.02 -1.18 -2.25 115.26 121.58 3gb1 n ASN 8 Ca -0.14 -3.40 -0.28 0.00 -0.03 0.00 0.00 54.58 50.72 3gb1 n ASN 8 Cb 0.50 -0.84 0.07 0.00 -0.61 0.00 0.00 39.78 38.90 3gb1 n ASN 8 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gb1 s GLY 9 N -2.10 1.63 0.15 7.41 0.00 0.12 -3.08 107.32 111.46 3gb1 s GLY 9 Ca 0.36 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 44.32 3gb1 s GLY 9 CO -0.00 -0.25 1.50 0.50 0.00 0.00 0.00 173.10 174.84 3gb1 h LYS 10 N -0.73 0.91 0.00 2.90 1.57 -1.97 -3.36 116.57 115.89 3gb1 h LYS 10 Ca -0.45 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 57.85 3gb1 h LYS 10 Cb 1.30 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 3gb1 h LYS 10 CO 0.63 1.12 -1.12 0.25 -0.57 0.00 0.00 179.45 179.76 3gb1 n THR 11 N -4.06 0.04 -3.64 -0.16 -2.24 -1.26 -4.97 114.28 98.00 3gb1 n THR 11 Ca -0.02 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 3gb1 n THR 11 Cb 0.53 0.04 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 3gb1 n THR 11 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gb1 s LEU 12 N -3.46 3.89 -0.04 3.22 2.96 -1.26 -5.07 118.68 118.92 3gb1 s LEU 12 Ca -0.01 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3gb1 s LEU 12 Cb 0.01 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3gb1 s LEU 12 CO 0.10 -0.04 -0.05 -0.54 -1.32 0.00 0.00 176.35 174.50 3gb1 s LYS 13 N 1.68 0.83 0.00 1.98 1.02 -1.26 0.16 119.74 124.14 3gb1 s LYS 13 Ca 0.07 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.95 3gb1 s LYS 13 Cb -0.16 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 3gb1 s LYS 13 CO 0.09 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 3gb1 n GLY 14 N 4.01 -1.28 3.23 -3.33 0.00 -0.95 -5.02 105.19 101.84 3gb1 n GLY 14 Ca -0.25 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3gb1 n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gb1 s GLU 15 N -0.95 0.82 0.27 1.61 -1.05 -1.26 -0.03 118.70 118.12 3gb1 s GLU 15 Ca 0.00 -0.71 -0.15 0.00 -0.15 0.00 0.00 54.97 53.95 3gb1 s GLU 15 Cb 0.00 0.35 0.01 0.00 -0.44 0.00 0.00 34.13 34.04 3gb1 s GLU 15 CO 0.00 -0.27 0.57 -0.08 0.95 0.00 0.00 175.26 176.44 3gb1 s THR 16 N -3.15 0.00 0.08 1.83 -1.32 -0.71 -4.99 115.64 107.38 3gb1 s THR 16 Ca -0.01 -1.26 0.00 0.00 -1.21 0.00 0.00 61.69 59.22 3gb1 s THR 16 Cb 0.01 -2.19 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 3gb1 s THR 16 CO -0.07 0.00 -0.05 0.42 -2.21 0.00 0.00 174.62 172.71 3gb1 s THR 17 N -3.86 0.45 0.18 5.08 -4.23 -1.26 -0.75 115.64 111.24 3gb1 s THR 17 Ca 0.19 -1.87 -0.18 0.00 -1.18 0.00 0.00 61.69 58.64 3gb1 s THR 17 Cb -0.03 -1.61 0.04 0.00 1.34 0.00 0.00 72.50 72.24 3gb1 s THR 17 CO 0.09 -0.93 0.52 0.28 -0.54 0.00 0.00 174.62 174.04 3gb1 s THR 18 N -3.78 0.03 -0.16 3.99 -1.32 -1.05 -5.01 115.64 108.34 3gb1 s THR 18 Ca 0.10 -0.59 -0.07 0.00 -1.21 0.00 0.00 61.69 59.91 3gb1 s THR 18 Cb 0.07 -1.39 -0.04 0.00 -1.51 0.00 0.00 72.50 69.62 3gb1 s THR 18 CO -0.07 -0.13 0.09 -1.61 -2.21 0.00 0.00 174.62 170.68 3gb1 s GLU 19 N -3.84 3.76 -0.09 7.08 2.02 -1.26 -2.27 118.70 124.11 3gb1 s GLU 19 Ca 0.06 -0.27 -0.13 0.00 0.02 0.00 0.00 54.97 54.66 3gb1 s GLU 19 Cb -0.01 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 31.05 3gb1 s GLU 19 CO -0.06 0.46 0.33 0.00 0.02 0.00 0.00 175.26 176.01 3gb1 s ALA 20 N -0.15 -0.81 0.51 5.21 0.00 -1.04 -5.02 121.76 120.46 3gb1 s ALA 20 Ca 0.09 0.74 0.16 0.00 0.00 0.00 0.00 51.96 52.95 3gb1 s ALA 20 Cb -0.12 -0.35 1.23 0.00 0.00 0.00 0.00 23.12 23.88 3gb1 s ALA 20 CO 0.01 -0.19 2.12 -0.39 0.00 0.00 0.00 175.76 177.31 3gb1 h VAL 21 N 4.38 1.01 -3.19 0.00 -1.51 -1.98 -1.00 116.25 113.96 3gb1 h VAL 21 Ca -0.27 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 65.03 3gb1 h VAL 21 Cb 1.18 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 3gb1 h VAL 21 CO 0.33 0.04 0.18 1.51 -1.23 0.00 0.00 177.57 178.40 3gb1 s ASP 22 N -7.02 0.07 0.21 4.19 -4.77 -1.26 -4.26 116.67 103.82 3gb1 s ASP 22 Ca -0.05 -1.08 -0.05 0.00 -3.30 0.00 0.00 52.55 48.08 3gb1 s ASP 22 Cb 0.17 0.79 0.16 0.00 -1.09 0.00 0.00 42.92 42.94 3gb1 s ASP 22 CO 0.67 -1.54 1.60 0.00 0.70 0.00 0.00 175.17 176.60 3gb1 h ALA 23 N 2.03 0.83 -0.93 2.11 0.00 -1.98 -2.92 119.26 118.40 3gb1 h ALA 23 Ca -0.29 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.40 3gb1 h ALA 23 Cb 1.25 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3gb1 h ALA 23 CO 0.37 0.64 0.60 0.00 0.00 0.00 0.00 179.25 180.85 3gb1 h ALA 24 N 1.04 1.89 -0.07 0.00 0.00 -1.99 0.17 119.26 120.29 3gb1 h ALA 24 Ca 0.08 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 3gb1 h ALA 24 Cb 0.80 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3gb1 h ALA 24 CO 0.07 -0.17 -0.71 1.79 0.00 0.00 0.00 179.25 180.22 3gb1 h THR 25 N 0.64 1.39 -0.91 0.00 1.35 -1.93 -3.08 112.91 110.37 3gb1 h THR 25 Ca 0.49 -2.13 -0.01 0.00 -0.55 0.00 0.00 66.41 64.21 3gb1 h THR 25 Cb 0.88 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 69.36 3gb1 h THR 25 CO -0.24 0.64 0.54 0.00 -0.25 0.00 0.00 175.52 176.21 3gb1 h ALA 26 N 0.99 1.17 -0.13 6.62 0.00 -0.57 -0.30 119.26 127.03 3gb1 h ALA 26 Ca -0.03 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3gb1 h ALA 26 Cb 1.28 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3gb1 h ALA 26 CO 0.12 0.63 -0.04 0.93 0.00 0.00 0.00 179.25 180.90 3gb1 h GLU 27 N 1.26 -0.01 -0.55 0.00 5.08 -1.19 0.44 114.58 119.63 3gb1 h GLU 27 Ca 0.33 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3gb1 h GLU 27 Cb -0.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3gb1 h GLU 27 CO -0.06 -0.00 0.03 -0.22 -1.00 0.00 0.00 179.01 177.76 3gb1 h LYS 28 N -0.01 0.94 0.33 2.33 3.64 -1.48 0.15 116.57 122.47 3gb1 h LYS 28 Ca 0.06 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.14 3gb1 h LYS 28 Cb 0.10 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3gb1 h LYS 28 CO -0.14 0.94 -0.16 0.28 -2.27 0.00 0.00 179.45 178.11 3gb1 h VAL 29 N 0.82 0.61 -0.67 2.00 2.07 -0.63 -1.85 116.25 118.60 3gb1 h VAL 29 Ca 0.16 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 3gb1 h VAL 29 Cb 0.49 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3gb1 h VAL 29 CO 0.02 0.11 0.11 -0.26 0.02 0.00 0.00 177.57 177.57 3gb1 h PHE 30 N -0.84 1.17 -0.58 1.57 0.04 -0.17 -0.26 116.94 117.86 3gb1 h PHE 30 Ca -0.05 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.56 3gb1 h PHE 30 Cb 0.52 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3gb1 h PHE 30 CO 0.03 0.98 0.36 -0.22 -0.60 0.00 0.00 178.31 178.86 3gb1 h LYS 31 N 1.03 0.78 -0.31 1.51 3.64 -0.73 0.44 116.57 122.93 3gb1 h LYS 31 Ca 0.20 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3gb1 h LYS 31 Cb 0.44 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 3gb1 h LYS 31 CO 0.01 0.54 -0.24 0.37 -2.27 0.00 0.00 179.45 177.87 3gb1 h GLN 32 N 0.78 0.70 -0.41 1.90 5.75 -1.12 -1.31 115.11 121.40 3gb1 h GLN 32 Ca 0.21 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 3gb1 h GLN 32 Cb -0.05 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3gb1 h GLN 32 CO -0.04 0.95 0.27 -0.92 -2.65 0.00 0.00 178.83 176.44 3gb1 h TYR 33 N 0.45 0.52 -0.68 3.99 3.20 -0.64 0.07 116.97 123.89 3gb1 h TYR 33 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3gb1 h TYR 33 Cb 0.79 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3gb1 h TYR 33 CO 0.07 0.33 0.44 0.00 -1.64 0.00 0.00 178.16 177.36 3gb1 h ALA 34 N 1.15 0.86 -0.84 1.82 0.00 -0.03 -1.91 119.26 120.31 3gb1 h ALA 34 Ca 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gb1 h ALA 34 Cb -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3gb1 h ALA 34 CO -0.03 0.29 0.48 -0.97 0.00 0.00 0.00 179.25 179.02 3gb1 h ASN 35 N 0.92 1.03 0.06 0.00 -0.73 -0.57 -0.30 115.58 115.99 3gb1 h ASN 35 Ca 0.25 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.33 3gb1 h ASN 35 Cb -0.09 -0.26 -0.00 0.00 0.27 0.00 0.00 38.32 38.23 3gb1 h ASN 35 CO -0.05 0.82 -0.02 0.44 -0.37 0.00 0.00 177.43 178.25 3gb1 h ASP 36 N 1.16 0.00 -0.67 1.15 3.32 -0.22 0.10 116.42 121.26 3gb1 h ASP 36 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3gb1 h ASP 36 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3gb1 h ASP 36 CO -0.05 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.08 3gb1 n ASN 37 N -3.80 3.58 -2.41 6.45 3.02 -0.38 -4.93 115.26 116.80 3gb1 n ASN 37 Ca -0.03 -2.00 -0.17 0.00 -0.03 0.00 0.00 54.58 52.35 3gb1 n ASN 37 Cb 0.11 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3gb1 n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gb1 n GLY 38 N 1.56 -0.21 3.42 7.41 0.00 0.02 -4.99 105.19 112.41 3gb1 n GLY 38 Ca 0.22 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3gb1 n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gb1 s VAL 39 N -3.06 3.71 0.01 1.61 1.01 -0.27 -5.01 120.40 118.40 3gb1 s VAL 39 Ca 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3gb1 s VAL 39 Cb -0.12 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3gb1 s VAL 39 CO 0.33 0.45 0.04 1.51 0.00 0.00 0.00 175.10 177.43 3gb1 s ASP 40 N 0.87 0.13 0.00 3.32 -4.77 -1.26 -4.10 116.67 110.86 3gb1 s ASP 40 Ca -0.00 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 48.93 3gb1 s ASP 40 Cb -0.14 0.14 0.00 0.00 -1.09 0.00 0.00 42.92 41.82 3gb1 s ASP 40 CO 0.01 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.21 3gb1 n GLY 41 N 1.76 -0.69 3.74 2.12 0.00 -1.26 -4.35 105.19 106.50 3gb1 n GLY 41 Ca -0.22 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3gb1 n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gb1 s GLU 42 N -0.96 4.27 -0.14 1.61 2.02 -1.04 -4.92 118.70 119.55 3gb1 s GLU 42 Ca 0.00 0.35 -0.07 0.00 0.02 0.00 0.00 54.97 55.27 3gb1 s GLU 42 Cb 0.00 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.78 3gb1 s GLU 42 CO 0.00 0.25 0.12 -1.58 0.02 0.00 0.00 175.26 174.07 3gb1 s TRP 43 N 0.36 3.51 0.04 1.61 0.52 -1.26 -2.83 118.94 120.88 3gb1 s TRP 43 Ca 0.23 0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.81 3gb1 s TRP 43 Cb -0.15 -1.98 -0.02 0.00 -1.15 0.00 0.00 33.47 30.17 3gb1 s TRP 43 CO 0.09 0.60 -0.06 0.95 0.02 0.00 0.00 176.95 178.54 3gb1 s THR 44 N -0.66 0.41 -0.02 2.01 -4.23 -0.84 -5.03 115.64 107.29 3gb1 s THR 44 Ca 0.13 -1.02 0.02 0.00 -1.18 0.00 0.00 61.69 59.63 3gb1 s THR 44 Cb -0.12 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.22 3gb1 s THR 44 CO 0.02 -0.41 -0.07 -0.47 -0.54 0.00 0.00 174.62 173.15 3gb1 s TYR 45 N -1.40 0.72 -0.33 3.99 5.04 -1.26 -1.85 117.35 122.27 3gb1 s TYR 45 Ca -0.12 -0.16 -0.04 0.00 -2.44 0.00 0.00 57.07 54.31 3gb1 s TYR 45 Cb -0.10 -0.53 0.05 0.00 0.35 0.00 0.00 41.96 41.73 3gb1 s TYR 45 CO -0.00 -0.08 0.06 0.34 -1.34 0.00 0.00 175.55 174.54 3gb1 s ASP 46 N 0.20 5.12 0.33 4.32 -1.08 -0.79 -4.97 116.67 119.80 3gb1 s ASP 46 Ca -0.02 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 50.84 3gb1 s ASP 46 Cb -0.07 -1.79 0.59 0.00 -1.46 0.00 0.00 42.92 40.18 3gb1 s ASP 46 CO 0.00 -0.31 1.77 -0.78 0.52 0.00 0.00 175.17 176.36 3gb1 h ASP 47 N 8.11 0.12 -0.62 -0.34 1.82 -1.96 0.72 116.42 124.28 3gb1 h ASP 47 Ca -0.22 -0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.28 3gb1 h ASP 47 Cb 1.07 -0.03 -0.02 0.00 0.68 0.00 0.00 39.33 41.02 3gb1 h ASP 47 CO 0.58 0.50 0.00 0.00 -1.61 0.00 0.00 179.24 178.71 3gb1 h ALA 48 N 1.51 0.83 -0.02 -0.78 0.00 -1.98 -3.12 119.26 115.70 3gb1 h ALA 48 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3gb1 h ALA 48 Cb 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gb1 h ALA 48 CO 0.05 0.67 -0.06 0.25 0.00 0.00 0.00 179.25 180.17 3gb1 n THR 49 N -4.18 0.00 -4.06 0.00 -2.24 -1.14 -4.96 114.28 97.71 3gb1 n THR 49 Ca 0.03 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 3gb1 n THR 49 Cb 0.35 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 3gb1 n THR 49 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gb1 n LYS 50 N 0.83 -4.34 -5.22 -0.78 4.01 0.25 -4.81 118.16 108.10 3gb1 n LYS 50 Ca 0.10 0.49 -0.32 0.00 -0.51 0.00 0.00 58.31 58.07 3gb1 n LYS 50 Cb 0.44 -5.26 -0.17 0.00 -0.51 0.00 0.00 35.03 29.52 3gb1 n LYS 50 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3gb1 s THR 51 N -3.33 2.07 -0.11 -0.18 2.01 -1.04 -2.89 115.64 112.17 3gb1 s THR 51 Ca 0.66 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.55 3gb1 s THR 51 Cb -0.35 -1.78 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 3gb1 s THR 51 CO 0.88 0.56 0.19 -0.36 -0.69 0.00 0.00 174.62 175.20 3gb1 s PHE 52 N 0.28 3.59 -0.04 4.92 0.40 0.12 -1.88 117.98 125.37 3gb1 s PHE 52 Ca -0.17 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 3gb1 s PHE 52 Cb -0.18 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.33 3gb1 s PHE 52 CO 0.08 0.65 -0.08 0.99 0.70 0.00 0.00 175.22 177.56 3gb1 s THR 53 N -0.80 0.80 -0.07 0.64 2.01 -0.77 -2.25 115.64 115.20 3gb1 s THR 53 Ca 0.16 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.88 3gb1 s THR 53 Cb -0.13 -0.74 0.00 0.00 0.01 0.00 0.00 72.50 71.64 3gb1 s THR 53 CO 0.05 0.27 -0.19 0.54 -0.69 0.00 0.00 174.62 174.60 3gb1 s VAL 54 N 0.56 1.62 -0.13 3.82 0.11 -1.18 -1.98 120.40 123.21 3gb1 s VAL 54 Ca -0.09 -0.79 0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3gb1 s VAL 54 Cb -0.13 -1.41 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 3gb1 s VAL 54 CO 0.01 0.46 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.15 3gb1 s THR 55 N 0.28 2.21 -2.33 5.04 2.01 -1.13 -3.10 115.64 118.62 3gb1 s THR 55 Ca -0.12 -0.94 0.29 0.00 0.31 0.00 0.00 61.69 61.24 3gb1 s THR 55 Cb -0.15 -1.88 0.67 0.00 0.01 0.00 0.00 72.50 71.14 3gb1 s THR 55 CO 0.05 0.54 1.91 1.21 -0.69 0.00 0.00 174.62 177.64