#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 5.21 0.06 1.12 2.01 -1.26 -0.91 115.64 121.87 3gb1 s THR 2 Ca 0.00 0.83 0.06 0.00 0.31 0.00 0.00 61.69 62.90 3gb1 s THR 2 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3gb1 s THR 2 CO 0.00 0.32 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.81 3gb1 s TYR 3 N 0.73 2.68 -0.02 4.92 2.02 -0.28 -4.96 117.35 122.44 3gb1 s TYR 3 Ca 0.23 -0.18 0.05 0.00 -0.37 0.00 0.00 57.07 56.80 3gb1 s TYR 3 Cb -0.15 -1.47 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 3gb1 s TYR 3 CO 0.08 0.35 -0.18 0.21 -1.57 0.00 0.00 175.55 174.44 3gb1 s LYS 4 N -1.76 2.31 -0.11 -0.62 2.20 -1.14 -1.92 119.74 118.69 3gb1 s LYS 4 Ca 0.18 -0.82 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 3gb1 s LYS 4 Cb -0.11 -2.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 3gb1 s LYS 4 CO 0.09 0.59 -0.22 -1.17 -0.36 0.00 0.00 175.35 174.28 3gb1 s LEU 5 N -0.86 2.06 -0.22 5.43 2.96 -0.65 0.13 118.68 127.53 3gb1 s LEU 5 Ca 0.12 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 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 0.12 0.07 -0.63 -1.32 0.00 0.00 176.35 174.60 3gb1 s ILE 6 N 0.56 4.46 -0.33 6.68 1.01 -0.62 -2.32 121.20 130.64 3gb1 s ILE 6 Ca -0.14 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 3gb1 s ILE 6 Cb -0.17 -3.06 -0.00 0.00 0.01 0.00 0.00 42.46 39.24 3gb1 s ILE 6 CO 0.04 0.38 0.17 -0.76 0.00 0.00 0.00 174.94 174.78 3gb1 s LEU 7 N 1.16 4.29 -0.66 2.97 1.43 -0.07 -2.84 118.68 124.97 3gb1 s LEU 7 Ca 0.04 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.57 3gb1 s LEU 7 Cb -0.14 -2.02 0.27 0.00 0.03 0.00 0.00 46.19 44.32 3gb1 s LEU 7 CO 0.03 -0.24 0.83 0.59 0.23 0.00 0.00 176.35 177.79 3gb1 n ASN 8 N 5.00 4.06 -4.62 2.29 3.02 -1.16 -2.21 115.26 121.63 3gb1 n ASN 8 Ca -0.13 -3.48 -0.29 0.00 -0.03 0.00 0.00 54.58 50.64 3gb1 n ASN 8 Cb 0.48 -0.69 0.13 0.00 -0.61 0.00 0.00 39.78 39.09 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 -2.58 1.64 0.28 7.41 0.00 0.16 -3.07 107.32 111.16 3gb1 s GLY 9 Ca 0.41 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.34 3gb1 s GLY 9 CO -0.02 -0.20 1.75 0.07 0.00 0.00 0.00 173.10 174.70 3gb1 h LYS 10 N -1.37 0.61 0.00 2.90 2.10 -1.98 -3.34 116.57 115.49 3gb1 h LYS 10 Ca -0.46 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 57.99 3gb1 h LYS 10 Cb 1.30 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3gb1 h LYS 10 CO 0.56 0.73 -0.69 -2.37 -2.00 0.00 0.00 179.45 175.68 3gb1 n THR 11 N -4.17 0.00 -3.46 0.07 5.66 -1.26 -4.99 114.28 106.13 3gb1 n THR 11 Ca 0.01 -0.06 -0.41 0.00 -3.05 0.00 0.00 64.05 60.54 3gb1 n THR 11 Cb 0.35 0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 69.52 3gb1 n THR 11 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 3gb1 s LEU 12 N -2.29 4.67 -0.09 1.09 2.96 -1.25 -5.05 118.68 118.71 3gb1 s LEU 12 Ca 0.00 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 3gb1 s LEU 12 Cb 0.00 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.48 3gb1 s LEU 12 CO 0.00 -0.35 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.00 3gb1 s LYS 13 N 1.83 2.08 0.00 1.98 3.01 -1.26 0.39 119.74 127.77 3gb1 s LYS 13 Ca 0.08 -0.52 0.00 0.00 -1.01 0.00 0.00 55.97 54.52 3gb1 s LYS 13 Cb -0.17 -1.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.91 3gb1 s LYS 13 CO 0.11 -0.02 0.00 0.41 0.51 0.00 0.00 175.35 176.36 3gb1 n GLY 14 N 4.03 -1.09 3.10 -3.33 0.00 -0.94 -5.02 105.19 101.94 3gb1 n GLY 14 Ca -0.20 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 3gb1 n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gb1 s GLU 15 N -1.97 0.55 0.23 1.61 8.01 -1.26 -0.89 118.70 124.98 3gb1 s GLU 15 Ca 0.00 -0.69 -0.14 0.00 0.01 0.00 0.00 54.97 54.15 3gb1 s GLU 15 Cb 0.00 0.21 0.00 0.00 -4.31 0.00 0.00 34.13 30.04 3gb1 s GLU 15 CO 0.00 -0.13 0.49 -0.08 0.01 0.00 0.00 175.26 175.55 3gb1 s THR 16 N -2.32 0.01 0.07 3.63 -1.32 -0.98 -5.01 115.64 109.72 3gb1 s THR 16 Ca -0.07 -1.25 0.00 0.00 -1.21 0.00 0.00 61.69 59.15 3gb1 s THR 16 Cb -0.03 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.89 3gb1 s THR 16 CO -0.03 -0.05 -0.04 0.42 -2.21 0.00 0.00 174.62 172.70 3gb1 s THR 17 N -3.98 0.39 0.18 5.08 -4.23 -1.26 -1.64 115.64 110.18 3gb1 s THR 17 Ca 0.18 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.65 3gb1 s THR 17 Cb -0.01 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.29 3gb1 s THR 17 CO 0.06 -0.95 0.53 0.28 -0.54 0.00 0.00 174.62 174.00 3gb1 s THR 18 N -3.81 0.03 -0.13 3.99 -1.32 -0.81 -4.99 115.64 108.60 3gb1 s THR 18 Ca 0.09 -0.55 -0.04 0.00 -1.21 0.00 0.00 61.69 59.98 3gb1 s THR 18 Cb 0.07 -1.37 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 3gb1 s THR 18 CO -0.08 -0.12 0.01 -0.70 -2.21 0.00 0.00 174.62 171.52 3gb1 s GLU 19 N -3.83 3.41 -0.06 7.08 2.12 -1.26 -1.13 118.70 125.04 3gb1 s GLU 19 Ca 0.06 -0.41 -0.13 0.00 0.36 0.00 0.00 54.97 54.85 3gb1 s GLU 19 Cb -0.01 -2.94 0.03 0.00 0.26 0.00 0.00 34.13 31.47 3gb1 s GLU 19 CO -0.07 0.49 0.30 0.00 -0.54 0.00 0.00 175.26 175.44 3gb1 s ALA 20 N -0.27 -0.76 0.50 6.30 0.00 -0.09 -4.92 121.76 122.52 3gb1 s ALA 20 Ca 0.06 0.56 0.18 0.00 0.00 0.00 0.00 51.96 52.76 3gb1 s ALA 20 Cb -0.12 -0.19 1.25 0.00 0.00 0.00 0.00 23.12 24.06 3gb1 s ALA 20 CO 0.02 -0.21 2.11 -0.39 0.00 0.00 0.00 175.76 177.29 3gb1 h VAL 21 N 4.23 0.97 -3.14 0.00 -1.51 -1.98 0.24 116.25 115.07 3gb1 h VAL 21 Ca -0.28 -0.23 -0.04 0.00 -1.23 0.00 0.00 66.70 64.92 3gb1 h VAL 21 Cb 1.18 1.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3gb1 h VAL 21 CO 0.36 0.06 0.21 1.51 -1.23 0.00 0.00 177.57 178.48 3gb1 s ASP 22 N -6.91 0.07 0.17 4.19 -4.77 -1.26 -4.50 116.67 103.66 3gb1 s ASP 22 Ca -0.05 -1.12 -0.09 0.00 -3.30 0.00 0.00 52.55 47.99 3gb1 s ASP 22 Cb 0.16 0.81 0.02 0.00 -1.09 0.00 0.00 42.92 42.83 3gb1 s ASP 22 CO 0.66 -1.60 1.56 0.00 0.70 0.00 0.00 175.17 176.49 3gb1 h ALA 23 N 2.02 0.71 -0.92 2.11 0.00 -1.98 -2.91 119.26 118.28 3gb1 h ALA 23 Ca -0.30 -0.39 0.17 0.00 0.00 0.00 0.00 54.91 54.39 3gb1 h ALA 23 Cb 1.25 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3gb1 h ALA 23 CO 0.38 0.67 0.59 0.00 0.00 0.00 0.00 179.25 180.90 3gb1 h ALA 24 N 0.89 1.91 -0.16 0.00 0.00 -1.99 0.11 119.26 120.02 3gb1 h ALA 24 Ca 0.11 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 3gb1 h ALA 24 Cb 0.79 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3gb1 h ALA 24 CO 0.07 -0.19 -0.64 1.79 0.00 0.00 0.00 179.25 180.28 3gb1 h THR 25 N 0.63 1.32 -0.95 0.00 1.35 -1.93 -3.05 112.91 110.28 3gb1 h THR 25 Ca 0.48 -1.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3gb1 h THR 25 Cb 0.88 1.89 -0.05 0.00 -1.73 0.00 0.00 68.15 69.14 3gb1 h THR 25 CO -0.23 0.59 0.60 0.00 -0.25 0.00 0.00 175.52 176.24 3gb1 h ALA 26 N 0.86 1.21 -0.13 6.62 0.00 -0.66 -1.27 119.26 125.90 3gb1 h ALA 26 Ca -0.01 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3gb1 h ALA 26 Cb 1.21 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3gb1 h ALA 26 CO 0.12 0.64 -0.04 0.93 0.00 0.00 0.00 179.25 180.90 3gb1 h GLU 27 N 1.30 -0.01 -0.56 0.00 5.08 -1.12 0.92 114.58 120.18 3gb1 h GLU 27 Ca 0.35 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3gb1 h GLU 27 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3gb1 h GLU 27 CO -0.07 -0.01 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.71 3gb1 h LYS 28 N -0.01 1.00 0.25 2.33 3.64 -1.46 -1.35 116.57 120.97 3gb1 h LYS 28 Ca 0.07 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.11 3gb1 h LYS 28 Cb 0.11 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3gb1 h LYS 28 CO -0.14 1.00 -0.12 0.28 -2.27 0.00 0.00 179.45 178.20 3gb1 h VAL 29 N 0.88 0.79 -0.63 2.00 2.07 -0.90 -2.69 116.25 117.78 3gb1 h VAL 29 Ca 0.16 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3gb1 h VAL 29 Cb 0.56 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3gb1 h VAL 29 CO 0.03 0.13 0.18 -0.26 0.02 0.00 0.00 177.57 177.68 3gb1 h PHE 30 N -0.69 0.99 -0.60 1.57 0.04 -0.87 -1.19 116.94 116.19 3gb1 h PHE 30 Ca -0.03 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.65 3gb1 h PHE 30 Cb 0.48 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.31 3gb1 h PHE 30 CO 0.03 0.80 0.39 -0.22 -0.60 0.00 0.00 178.31 178.71 3gb1 h LYS 31 N 0.93 0.79 -0.41 1.51 1.63 -1.25 0.31 116.57 120.08 3gb1 h LYS 31 Ca 0.20 -0.05 -0.12 0.00 -0.85 0.00 0.00 60.65 59.84 3gb1 h LYS 31 Cb 0.28 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3gb1 h LYS 31 CO -0.01 0.53 -0.20 0.37 -3.45 0.00 0.00 179.45 176.69 3gb1 h GLN 32 N 0.81 0.86 -0.17 1.90 4.15 -1.20 -0.28 115.11 121.18 3gb1 h GLN 32 Ca 0.22 -0.38 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3gb1 h GLN 32 Cb -0.09 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3gb1 h GLN 32 CO -0.05 1.02 0.11 -0.92 -1.93 0.00 0.00 178.83 177.06 3gb1 h TYR 33 N 0.68 0.21 -0.68 3.99 5.03 -0.64 0.16 116.97 125.71 3gb1 h TYR 33 Ca 0.09 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 3gb1 h TYR 33 Cb 0.76 -0.07 -0.03 0.00 1.55 0.00 0.00 36.73 38.94 3gb1 h TYR 33 CO 0.06 0.13 0.31 0.00 -1.32 0.00 0.00 178.16 177.33 3gb1 h ALA 34 N 1.06 0.88 -0.65 1.82 0.00 -0.29 -1.78 119.26 120.30 3gb1 h ALA 34 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gb1 h ALA 34 Cb -0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3gb1 h ALA 34 CO -0.02 0.47 0.41 -0.91 0.00 0.00 0.00 179.25 179.20 3gb1 h ASN 35 N 0.95 0.77 0.37 0.00 -0.26 -0.48 0.83 115.58 117.76 3gb1 h ASN 35 Ca 0.23 -0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 3gb1 h ASN 35 Cb 0.16 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3gb1 h ASN 35 CO -0.03 0.59 -0.05 0.44 -1.06 0.00 0.00 177.43 177.32 3gb1 h ASP 36 N 0.88 0.00 -0.48 5.81 3.32 -0.22 -0.97 116.42 124.76 3gb1 h ASP 36 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gb1 h ASP 36 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3gb1 h ASP 36 CO -0.05 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.11 3gb1 n ASN 37 N -3.37 3.39 -2.33 6.45 3.02 -0.09 -4.94 115.26 117.40 3gb1 n ASN 37 Ca -0.02 -1.98 -0.16 0.00 -0.03 0.00 0.00 54.58 52.40 3gb1 n ASN 37 Cb 0.19 -0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.51 -0.16 3.33 7.41 0.00 -0.37 -5.00 105.19 111.90 3gb1 n GLY 38 Ca 0.20 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.05 2.96 0.00 1.61 1.01 0.09 -5.01 120.40 118.02 3gb1 s VAL 39 Ca 0.26 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3gb1 s VAL 39 Cb -0.11 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3gb1 s VAL 39 CO 0.32 0.51 0.00 0.47 0.00 0.00 0.00 175.10 176.40 3gb1 n ASP 40 N 3.83 0.00 -1.04 3.32 8.00 -1.26 -4.13 116.55 125.27 3gb1 n ASP 40 Ca -0.18 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.45 3gb1 n ASP 40 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.57 3gb1 n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gb1 n GLY 41 N 4.47 -2.69 3.75 0.44 0.00 -1.26 -4.69 105.19 105.21 3gb1 n GLY 41 Ca 0.00 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 -3.24 4.67 -0.15 1.61 2.02 -0.56 -4.72 118.70 118.33 3gb1 s GLU 42 Ca 0.00 1.73 -0.08 0.00 0.02 0.00 0.00 54.97 56.64 3gb1 s GLU 42 Cb 0.00 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 3gb1 s GLU 42 CO 0.00 0.24 0.12 -1.58 0.02 0.00 0.00 175.26 174.06 3gb1 s TRP 43 N -0.98 3.48 0.04 1.61 0.52 -1.26 -2.50 118.94 119.85 3gb1 s TRP 43 Ca 0.45 0.40 0.03 0.00 0.02 0.00 0.00 56.10 57.00 3gb1 s TRP 43 Cb -0.30 -2.02 -0.02 0.00 -1.15 0.00 0.00 33.47 29.97 3gb1 s TRP 43 CO 0.38 0.51 -0.10 0.95 0.02 0.00 0.00 176.95 178.71 3gb1 s THR 44 N -0.40 0.78 -0.02 2.01 -4.23 -0.62 -5.00 115.64 108.16 3gb1 s THR 44 Ca 0.11 -0.96 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3gb1 s THR 44 Cb -0.12 -0.76 0.01 0.00 1.34 0.00 0.00 72.50 72.97 3gb1 s THR 44 CO 0.01 -0.17 -0.06 -0.47 -0.54 0.00 0.00 174.62 173.40 3gb1 s TYR 45 N -1.02 0.66 -0.31 3.99 5.04 -1.26 -1.51 117.35 122.94 3gb1 s TYR 45 Ca -0.04 -0.15 -0.03 0.00 -2.44 0.00 0.00 57.07 54.42 3gb1 s TYR 45 Cb -0.08 -0.50 0.05 0.00 0.35 0.00 0.00 41.96 41.78 3gb1 s TYR 45 CO 0.01 -0.08 0.03 0.34 -1.34 0.00 0.00 175.55 174.51 3gb1 s ASP 46 N 0.27 5.02 0.33 4.32 -1.08 -0.75 -4.97 116.67 119.82 3gb1 s ASP 46 Ca -0.03 -1.23 0.11 0.00 -0.52 0.00 0.00 52.55 50.87 3gb1 s ASP 46 Cb -0.07 -1.76 0.58 0.00 -1.46 0.00 0.00 42.92 40.20 3gb1 s ASP 46 CO -0.00 -0.28 1.75 -0.78 0.52 0.00 0.00 175.17 176.38 3gb1 h ASP 47 N 8.07 0.06 -0.71 -0.34 1.82 -1.95 1.85 116.42 125.22 3gb1 h ASP 47 Ca -0.22 -0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.33 3gb1 h ASP 47 Cb 1.07 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 41.03 3gb1 h ASP 47 CO 0.55 0.49 0.17 0.00 -1.61 0.00 0.00 179.24 178.84 3gb1 h ALA 48 N 1.51 0.94 -0.01 -0.78 0.00 -1.98 -3.14 119.26 115.80 3gb1 h ALA 48 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3gb1 h ALA 48 Cb 0.79 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gb1 h ALA 48 CO 0.06 0.67 -0.01 0.25 0.00 0.00 0.00 179.25 180.23 3gb1 n THR 49 N -4.23 0.00 -4.09 0.00 -2.24 -1.13 -4.98 114.28 97.61 3gb1 n THR 49 Ca 0.05 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.01 3gb1 n THR 49 Cb 0.27 1.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 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 0.58 -3.87 -4.91 -0.78 5.02 0.63 -4.81 118.16 110.01 3gb1 n LYS 50 Ca 0.06 0.44 -0.33 0.00 -2.02 0.00 0.00 58.31 56.47 3gb1 n LYS 50 Cb 0.27 -5.12 -0.15 0.00 -0.02 0.00 0.00 35.03 30.01 3gb1 n LYS 50 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gb1 s THR 51 N -3.40 2.77 -0.12 -0.18 2.01 -1.03 -2.90 115.64 112.80 3gb1 s THR 51 Ca 0.60 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.76 3gb1 s THR 51 Cb -0.32 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 3gb1 s THR 51 CO 0.89 0.54 0.13 -0.36 -0.69 0.00 0.00 174.62 175.13 3gb1 s PHE 52 N 0.23 3.56 -0.04 4.92 0.08 0.12 -1.81 117.98 125.04 3gb1 s PHE 52 Ca -0.11 0.50 0.02 0.00 0.12 0.00 0.00 56.93 57.46 3gb1 s PHE 52 Cb -0.16 -1.93 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 3gb1 s PHE 52 CO 0.06 0.71 -0.08 0.99 -0.10 0.00 0.00 175.22 176.80 3gb1 s THR 53 N -1.01 0.77 -0.13 0.64 2.01 -0.57 -1.59 115.64 115.77 3gb1 s THR 53 Ca 0.15 -0.30 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3gb1 s THR 53 Cb -0.12 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.67 3gb1 s THR 53 CO 0.04 0.26 -0.23 0.54 -0.69 0.00 0.00 174.62 174.54 3gb1 s VAL 54 N 0.59 2.06 -0.13 3.82 0.11 -1.13 -1.59 120.40 124.13 3gb1 s VAL 54 Ca -0.10 -0.99 0.03 0.00 -2.93 0.00 0.00 61.98 57.99 3gb1 s VAL 54 Cb -0.13 -1.81 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 3gb1 s VAL 54 CO 0.01 0.55 -0.23 -0.89 -3.33 0.00 0.00 175.10 171.22 3gb1 s THR 55 N 0.65 2.05 -2.47 5.04 2.01 -1.04 -2.99 115.64 118.89 3gb1 s THR 55 Ca -0.11 -0.99 0.28 0.00 0.31 0.00 0.00 61.69 61.18 3gb1 s THR 55 Cb -0.16 -1.80 0.57 0.00 0.01 0.00 0.00 72.50 71.12 3gb1 s THR 55 CO 0.02 0.55 1.78 -0.62 -0.69 0.00 0.00 174.62 175.66