#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gdt n HIS 2 N 0.00 -3.02 -2.78 1.61 -0.00 -1.26 -4.89 115.22 104.87 2gdt n HIS 2 Ca 0.00 1.66 -0.35 0.00 -0.00 0.00 0.00 57.72 59.02 2gdt n HIS 2 Cb 0.00 -2.75 -0.07 0.00 -0.00 0.00 0.00 29.99 27.17 2gdt n HIS 2 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2gdt s VAL 3 N -3.82 4.25 -0.08 1.59 1.01 -0.34 -4.83 120.40 118.20 2gdt s VAL 3 Ca 0.00 1.66 -0.14 0.00 0.00 0.00 0.00 61.98 63.50 2gdt s VAL 3 Cb 0.00 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 2gdt s VAL 3 CO 0.00 -0.06 0.35 -1.58 0.00 0.00 0.00 175.10 173.81 2gdt s GLN 4 N -2.55 4.01 0.02 2.72 0.74 -1.26 0.25 119.66 123.59 2gdt s GLN 4 Ca 0.56 0.26 -0.05 0.00 0.05 0.00 0.00 55.36 56.18 2gdt s GLN 4 Cb -0.15 -3.30 -0.01 0.00 1.10 0.00 0.00 33.01 30.65 2gdt s GLN 4 CO 0.19 0.50 0.08 -0.51 -0.55 0.00 0.00 175.29 175.01 2gdt s LEU 5 N -0.40 1.81 0.24 3.68 1.43 -0.58 -4.93 118.68 119.93 2gdt s LEU 5 Ca 0.21 -0.39 0.11 0.00 -1.03 0.00 0.00 54.13 53.02 2gdt s LEU 5 Cb -0.15 0.51 -0.05 0.00 0.03 0.00 0.00 46.19 46.53 2gdt s LEU 5 CO 0.09 -0.40 -0.14 -0.44 0.23 0.00 0.00 176.35 175.69 2gdt s SER 6 N -1.67 3.92 0.05 2.29 0.01 -1.26 -0.82 113.70 116.22 2gdt s SER 6 Ca -0.12 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 2gdt s SER 6 Cb -0.06 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 2gdt s SER 6 CO -0.01 0.06 0.01 -0.76 0.41 0.00 0.00 173.24 172.95 2gdt s LEU 7 N -3.26 2.24 0.89 2.44 1.43 -0.93 -4.96 118.68 116.52 2gdt s LEU 7 Ca 0.28 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 2gdt s LEU 7 Cb -0.07 0.32 0.12 0.00 0.03 0.00 0.00 46.19 46.60 2gdt s LEU 7 CO 0.15 -0.54 1.10 -2.16 0.23 0.00 0.00 176.35 175.13 2gdt s PRO 8 N -3.26 1.32 -0.12 1.29 0.04 -1.26 -0.44 135.00 132.57 2gdt s PRO 8 Ca 0.01 0.65 0.01 0.00 0.04 0.00 0.00 61.00 61.71 2gdt s PRO 8 Cb 0.03 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.76 2gdt s PRO 8 CO -0.08 -2.15 -0.15 0.08 0.04 0.00 0.00 177.00 174.74 2gdt s VAL 9 N -3.05 1.54 0.24 -0.36 1.01 0.82 -0.71 120.40 119.89 2gdt s VAL 9 Ca 0.63 -0.66 0.12 0.00 0.00 0.00 0.00 61.98 62.07 2gdt s VAL 9 Cb -0.17 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2gdt s VAL 9 CO 0.56 0.45 -0.20 -0.76 0.00 0.00 0.00 175.10 175.14 2gdt s LEU 10 N 1.07 2.56 0.09 3.92 1.43 -0.21 -1.83 118.68 125.71 2gdt s LEU 10 Ca -0.05 -0.93 -0.25 0.00 -1.03 0.00 0.00 54.13 51.87 2gdt s LEU 10 Cb -0.15 -1.17 -0.06 0.00 0.03 0.00 0.00 46.19 44.84 2gdt s LEU 10 CO -0.03 0.07 0.77 -1.10 0.23 0.00 0.00 176.35 176.29 2gdt s GLN 11 N -3.16 4.52 0.59 1.70 -0.21 -1.26 -4.51 119.66 117.33 2gdt s GLN 11 Ca 0.26 1.10 0.39 0.00 0.02 0.00 0.00 55.36 57.14 2gdt s GLN 11 Cb -0.06 -3.33 2.10 0.00 1.00 0.00 0.00 33.01 32.72 2gdt s GLN 11 CO 0.13 0.39 2.20 -0.24 -2.12 0.00 0.00 175.29 175.65 2gdt h VAL 12 N 3.83 0.00 -0.00 1.09 3.04 -1.94 -0.36 116.25 121.91 2gdt h VAL 12 Ca -0.45 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2gdt h VAL 12 Cb 1.21 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2gdt h VAL 12 CO 0.69 0.00 -0.17 -2.11 -1.01 0.00 0.00 177.57 174.97 2gdt n ARG 13 N -2.91 0.51 -0.08 4.17 1.85 -1.26 -3.82 116.66 115.12 2gdt n ARG 13 Ca -0.02 -0.20 -0.10 0.00 -1.00 0.00 0.00 57.85 56.53 2gdt n ARG 13 Cb 0.08 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 29.91 2gdt n ARG 13 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2gdt n ASP 14 N -1.07 2.25 -3.32 2.89 9.92 -0.20 -4.76 116.55 122.25 2gdt n ASP 14 Ca 0.12 -0.06 -0.27 0.00 -0.53 0.00 0.00 54.79 54.05 2gdt n ASP 14 Cb 0.30 0.14 -0.05 0.00 -0.64 0.00 0.00 41.12 40.87 2gdt n ASP 14 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 2gdt n VAL 15 N -2.82 1.04 -0.24 2.53 0.31 -0.87 -4.80 118.33 113.48 2gdt n VAL 15 Ca -0.28 -0.75 0.17 0.00 -0.01 0.00 0.00 64.34 63.47 2gdt n VAL 15 Cb 0.87 -1.98 0.31 0.00 -0.91 0.00 0.00 33.84 32.14 2gdt n VAL 15 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2gdt n LEU 16 N 6.43 0.07 -4.13 7.52 4.77 -1.26 -4.10 117.00 126.30 2gdt n LEU 16 Ca 0.35 1.22 -0.34 0.00 -0.03 0.00 0.00 56.01 57.20 2gdt n LEU 16 Cb 0.24 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 2gdt n LEU 16 CO 0.86 -1.29 -0.33 -0.69 -1.33 0.00 0.00 177.39 174.60 2gdt s VAL 17 N -5.39 2.86 -2.06 4.08 1.01 -1.26 -4.94 120.40 114.70 2gdt s VAL 17 Ca -0.08 -1.65 0.17 0.00 0.00 0.00 0.00 61.98 60.42 2gdt s VAL 17 Cb 0.23 -2.76 0.14 0.00 0.00 0.00 0.00 36.38 33.99 2gdt s VAL 17 CO 0.57 -0.26 1.04 0.54 0.00 0.00 0.00 175.10 176.98 2gdt n ARG 18 N 4.55 1.36 -3.46 2.72 3.00 -1.26 -4.32 116.66 119.26 2gdt n ARG 18 Ca -0.09 -1.52 -0.37 0.00 -0.01 0.00 0.00 57.85 55.86 2gdt n ARG 18 Cb 0.43 -1.32 -0.07 0.00 0.00 0.00 0.00 32.46 31.50 2gdt n ARG 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2gdt s GLY 19 N -1.38 2.28 0.15 -0.13 0.00 -1.26 -4.65 107.32 102.34 2gdt s GLY 19 Ca 0.20 -0.35 0.26 0.00 0.00 0.00 0.00 44.72 44.83 2gdt s GLY 19 CO 0.21 0.54 1.65 0.69 0.00 0.00 0.00 173.10 176.19 2gdt n PHE 20 N 3.55 0.70 -0.89 1.90 3.72 -1.26 -4.77 117.46 120.42 2gdt n PHE 20 Ca -0.10 0.20 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2gdt n PHE 20 Cb 0.52 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 2gdt n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2gdt n GLY 21 N 1.34 -1.43 2.45 1.37 0.00 -1.26 -4.71 105.19 102.96 2gdt n GLY 21 Ca 0.05 -1.03 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 2gdt n GLY 21 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gdt n ASP 22 N 0.65 3.23 -3.92 1.61 2.03 -1.26 -4.61 116.55 114.27 2gdt n ASP 22 Ca 0.00 -2.93 -0.09 0.00 0.52 0.00 0.00 54.79 52.29 2gdt n ASP 22 Cb 0.00 -0.42 -0.07 0.00 -0.72 0.00 0.00 41.12 39.91 2gdt n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gdt s SER 23 N -3.65 0.08 0.08 1.67 0.01 -1.26 -5.00 113.70 105.63 2gdt s SER 23 Ca 0.39 -0.78 -0.34 0.00 1.31 0.00 0.00 55.95 56.53 2gdt s SER 23 Cb 0.37 0.39 -0.16 0.00 0.21 0.00 0.00 66.02 66.83 2gdt s SER 23 CO -0.01 -0.82 1.52 0.58 0.41 0.00 0.00 173.24 174.92 2gdt h VAL 24 N 2.64 0.00 0.00 3.43 2.07 -1.92 -1.78 116.25 120.69 2gdt h VAL 24 Ca -0.33 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 2gdt h VAL 24 Cb 1.22 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2gdt h VAL 24 CO 0.52 0.00 -0.30 -0.33 0.02 0.00 0.00 177.57 177.48 2gdt h GLU 25 N -0.94 0.00 0.69 1.57 5.08 -1.98 -0.85 114.58 118.16 2gdt h GLU 25 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 2gdt h GLU 25 Cb 0.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.08 2gdt h GLU 25 CO -0.07 0.30 -0.33 0.93 -1.00 0.00 0.00 179.01 178.84 2gdt h GLU 26 N 0.00 -0.90 -0.96 2.33 4.39 -1.94 -2.37 114.58 115.13 2gdt h GLU 26 Ca -0.00 0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2gdt h GLU 26 Cb 0.55 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 2gdt h GLU 26 CO 0.04 -0.60 0.63 0.00 -1.16 0.00 0.00 179.01 177.92 2gdt h ALA 27 N -1.57 1.35 -0.75 3.43 0.00 -1.01 -0.72 119.26 119.99 2gdt h ALA 27 Ca -0.10 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.81 2gdt h ALA 27 Cb 0.71 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 2gdt h ALA 27 CO 0.16 0.59 0.45 1.25 0.00 0.00 0.00 179.25 181.69 2gdt h LEU 28 N 1.26 0.69 -0.01 0.00 6.46 -1.19 0.63 115.31 123.15 2gdt h LEU 28 Ca 0.36 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.14 2gdt h LEU 28 Cb -0.08 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.73 2gdt h LEU 28 CO -0.09 0.45 -0.01 0.28 -0.62 0.00 0.00 178.44 178.44 2gdt h SER 29 N 0.83 0.03 -0.69 1.25 0.02 -0.65 -2.27 113.55 112.06 2gdt h SER 29 Ca 0.33 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2gdt h SER 29 Cb 0.15 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2gdt h SER 29 CO -0.17 0.57 0.35 -0.33 -1.14 0.00 0.00 176.83 176.12 2gdt h GLU 30 N -0.52 0.97 0.37 3.45 4.39 -1.11 -1.20 114.58 120.93 2gdt h GLU 30 Ca 0.00 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 2gdt h GLU 30 Cb 0.56 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 2gdt h GLU 30 CO 0.00 0.75 -0.48 0.00 -1.16 0.00 0.00 179.01 178.12 2gdt h ALA 31 N 1.17 -1.08 -1.18 3.43 0.00 -0.91 0.50 119.26 121.19 2gdt h ALA 31 Ca 0.24 -0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.35 2gdt h ALA 31 Cb 0.08 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 2gdt h ALA 31 CO -0.03 -1.14 0.76 -0.09 0.00 0.00 0.00 179.25 178.75 2gdt h ARG 32 N -0.87 0.22 0.10 0.00 2.43 -1.02 0.16 114.38 115.40 2gdt h ARG 32 Ca -0.04 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 58.82 2gdt h ARG 32 Cb 0.78 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2gdt h ARG 32 CO -0.12 0.14 -1.46 1.49 -1.51 0.00 0.00 179.97 178.52 2gdt h GLU 33 N 0.22 0.22 0.00 0.20 4.81 -0.24 -1.42 114.58 118.37 2gdt h GLU 33 Ca 0.71 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 59.47 2gdt h GLU 33 Cb 2.07 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.58 2gdt h GLU 33 CO -0.36 1.08 -0.49 0.45 -0.73 0.00 0.00 179.01 178.96 2gdt h HIS 34 N 0.06 0.00 -0.21 0.92 3.86 0.19 0.21 115.15 120.18 2gdt h HIS 34 Ca -0.21 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.98 2gdt h HIS 34 Cb 1.99 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.45 2gdt h HIS 34 CO 0.05 0.49 0.04 -0.07 0.86 0.00 0.00 177.93 179.31 2gdt h LEU 35 N 0.00 0.33 -1.40 2.43 4.07 -0.80 0.40 115.31 120.33 2gdt h LEU 35 Ca -0.00 -0.25 -0.03 0.00 0.08 0.00 0.00 57.88 57.68 2gdt h LEU 35 Cb 0.91 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 2gdt h LEU 35 CO 0.06 0.50 0.11 0.50 -1.08 0.00 0.00 178.44 178.53 2gdt h LYS 36 N 0.15 0.51 -0.01 1.13 3.64 -0.08 -1.95 116.57 119.96 2gdt h LYS 36 Ca 0.06 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2gdt h LYS 36 Cb 0.31 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2gdt h LYS 36 CO 0.00 0.45 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.52 2gdt h ASN 37 N 0.51 0.21 0.00 4.20 2.35 -0.67 -3.49 115.58 118.69 2gdt h ASN 37 Ca 0.12 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2gdt h ASN 37 Cb 0.15 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2gdt h ASN 37 CO -0.01 0.92 0.00 0.61 -1.65 0.00 0.00 177.43 177.30 2gdt n GLY 38 N 0.93 1.08 2.07 2.83 0.00 0.10 -5.02 105.19 107.19 2gdt n GLY 38 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 2gdt n GLY 38 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2gdt n THR 39 N -1.48 3.12 -4.29 2.61 -2.24 0.92 -4.89 114.28 108.02 2gdt n THR 39 Ca 0.00 -2.15 -0.26 0.00 -2.27 0.00 0.00 64.05 59.37 2gdt n THR 39 Cb 0.00 -1.18 -0.09 0.00 -2.10 0.00 0.00 70.33 66.96 2gdt n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gdt s GLY 41 N -3.01 2.00 0.09 0.00 0.00 -0.12 -4.50 107.32 101.77 2gdt s GLY 41 Ca 0.26 -1.83 0.06 0.00 0.00 0.00 0.00 44.72 43.22 2gdt s GLY 41 CO 0.16 -1.51 -0.09 -2.27 0.00 0.00 0.00 173.10 169.39 2gdt s LEU 42 N -3.32 3.06 -0.09 0.66 2.96 0.11 -1.23 118.68 120.82 2gdt s LEU 42 Ca 0.38 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.97 2gdt s LEU 42 Cb 0.05 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.91 2gdt s LEU 42 CO 0.19 0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.57 2gdt s VAL 43 N -1.18 1.49 0.30 1.68 1.01 0.42 -1.05 120.40 123.08 2gdt s VAL 43 Ca 0.21 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.24 2gdt s VAL 43 Cb -0.11 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.83 2gdt s VAL 43 CO 0.13 0.44 1.18 -1.61 0.00 0.00 0.00 175.10 175.24 2gdt s GLU 44 N 0.76 4.51 -0.52 2.72 2.02 -1.26 -0.70 118.70 126.22 2gdt s GLU 44 Ca -0.12 1.97 -0.28 0.00 0.02 0.00 0.00 54.97 56.56 2gdt s GLU 44 Cb -0.16 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2gdt s GLU 44 CO 0.02 0.04 1.14 -0.51 0.02 0.00 0.00 175.26 175.98 2gdt s LEU 45 N -1.62 3.59 0.42 1.80 1.43 -1.26 -4.84 118.68 118.21 2gdt s LEU 45 Ca 0.47 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.88 2gdt s LEU 45 Cb -0.35 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2gdt s LEU 45 CO 0.46 -1.34 0.04 -1.61 0.23 0.00 0.00 176.35 174.13 2gdt s GLU 46 N 4.61 1.96 0.31 1.70 2.02 -1.26 -5.01 118.70 123.02 2gdt s GLU 46 Ca 0.45 -2.16 0.02 0.00 0.02 0.00 0.00 54.97 53.30 2gdt s GLU 46 Cb -0.07 -1.27 0.49 0.00 0.10 0.00 0.00 34.13 33.38 2gdt s GLU 46 CO 0.29 -0.24 1.82 -0.22 0.02 0.00 0.00 175.26 176.93 2gdt h LYS 47 N 1.73 0.62 -0.66 1.61 3.64 -2.02 -2.72 116.57 118.76 2gdt h LYS 47 Ca -0.42 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2gdt h LYS 47 Cb 1.27 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2gdt h LYS 47 CO 0.73 0.65 0.00 0.41 -2.27 0.00 0.00 179.45 178.96 2gdt n GLY 48 N -0.76 2.46 0.11 5.01 0.00 -1.26 -4.63 105.19 106.12 2gdt n GLY 48 Ca 0.02 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 2gdt n GLY 48 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2gdt n VAL 49 N 0.63 1.57 -0.17 1.61 0.31 -1.03 -4.39 118.33 116.87 2gdt n VAL 49 Ca 0.21 -0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2gdt n VAL 49 Cb 0.89 -1.98 0.03 0.00 -0.91 0.00 0.00 33.84 31.87 2gdt n VAL 49 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2gdt h LEU 50 N -0.83 -0.65 -3.60 7.52 3.38 -1.82 -2.49 115.31 116.81 2gdt h LEU 50 Ca -0.38 0.17 -0.21 0.00 0.09 0.00 0.00 57.88 57.54 2gdt h LEU 50 Cb 1.44 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 2gdt h LEU 50 CO -0.18 -0.22 0.09 -0.81 0.09 0.00 0.00 178.44 177.41 2gdt n PRO 51 N -5.40 1.68 0.00 1.13 -0.04 -1.26 -1.94 135.00 129.17 2gdt n PRO 51 Ca 0.05 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 2gdt n PRO 51 Cb 0.30 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2gdt n PRO 51 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2gdt n GLN 52 N 1.31 3.98 -0.99 0.54 6.02 -0.94 -5.11 117.38 122.19 2gdt n GLN 52 Ca 0.26 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.09 2gdt n GLN 52 Cb 0.63 -0.33 0.11 0.00 1.02 0.00 0.00 30.24 31.66 2gdt n GLN 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gdt n LEU 53 N 0.00 0.00 0.00 1.08 4.77 -0.82 -4.95 117.00 117.08 2gdt n LEU 53 Ca 0.00 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2gdt n LEU 53 Cb 0.00 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2gdt n LEU 53 CO 0.00 -1.03 0.00 -0.62 -1.33 0.00 0.00 177.39 174.41 2gdt n GLU 54 N -2.53 0.00 0.22 3.23 -0.58 -1.26 -5.02 120.64 114.70 2gdt n GLU 54 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 2gdt n GLU 54 Cb 0.31 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.11 2gdt n GLU 54 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2gdt n GLN 55 N -0.10 0.00 -2.53 3.49 -0.06 -1.26 -5.01 117.38 111.91 2gdt n GLN 55 Ca 0.00 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.59 2gdt n GLN 55 Cb 0.00 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.16 2gdt n GLN 55 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 2gdt s PRO 56 N -2.00 3.68 -0.60 3.69 0.04 -1.26 -4.20 135.00 134.35 2gdt s PRO 56 Ca 0.00 -1.45 -0.28 0.00 0.04 0.00 0.00 61.00 59.31 2gdt s PRO 56 Cb 0.00 -5.42 0.02 0.00 0.04 0.00 0.00 34.50 29.14 2gdt s PRO 56 CO 0.00 -2.33 1.31 0.71 0.04 0.00 0.00 177.00 176.73 2gdt s TYR 57 N 5.06 2.40 -0.81 0.56 2.02 -0.52 -4.80 117.35 121.25 2gdt s TYR 57 Ca 0.51 0.35 -0.25 0.00 -0.37 0.00 0.00 57.07 57.31 2gdt s TYR 57 Cb 0.01 -4.48 0.01 0.00 -0.40 0.00 0.00 41.96 37.09 2gdt s TYR 57 CO -0.02 -1.85 1.61 0.08 -1.57 0.00 0.00 175.55 173.81 2gdt s VAL 58 N 5.61 3.62 0.72 0.71 1.01 -1.26 -2.97 120.40 127.84 2gdt s VAL 58 Ca 0.45 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.22 2gdt s VAL 58 Cb -0.09 -4.51 0.02 0.00 0.00 0.00 0.00 36.38 31.81 2gdt s VAL 58 CO 0.23 -1.44 1.10 -0.36 0.00 0.00 0.00 175.10 174.63 2gdt s PHE 59 N 7.34 3.26 -0.11 5.22 0.08 0.28 -0.87 117.98 133.19 2gdt s PHE 59 Ca 0.53 1.03 0.02 0.00 0.12 0.00 0.00 56.93 58.63 2gdt s PHE 59 Cb -0.07 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.29 2gdt s PHE 59 CO 0.07 -1.26 -0.16 0.96 -0.10 0.00 0.00 175.22 174.72 2gdt s ILE 60 N -3.37 1.54 0.13 0.64 -4.36 -0.97 -1.34 121.20 113.47 2gdt s ILE 60 Ca 0.59 -0.68 0.08 0.00 -0.26 0.00 0.00 60.65 60.38 2gdt s ILE 60 Cb -0.11 -1.40 -0.04 0.00 1.25 0.00 0.00 42.46 42.16 2gdt s ILE 60 CO 0.52 0.45 -0.20 -1.59 0.24 0.00 0.00 174.94 174.36 2gdt s LYS 61 N 0.91 1.20 -1.20 0.37 -2.85 -0.94 -0.59 119.74 116.63 2gdt s LYS 61 Ca -0.08 -1.27 -0.09 0.00 -1.00 0.00 0.00 55.97 53.53 2gdt s LYS 61 Cb -0.15 -1.37 -0.12 0.00 -2.06 0.00 0.00 37.83 34.13 2gdt s LYS 61 CO -0.00 0.30 2.95 2.89 0.10 0.00 0.00 175.35 181.59 2gdt n ARG 62 N 0.73 3.12 -3.45 1.78 1.85 -1.26 -0.55 116.66 118.89 2gdt n ARG 62 Ca -0.17 -1.84 -0.34 0.00 -1.00 0.00 0.00 57.85 54.50 2gdt n ARG 62 Cb 0.55 -2.58 0.03 0.00 -1.05 0.00 0.00 32.46 29.41 2gdt n ARG 62 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2gdt n SER 63 N 3.44 -5.77 -4.57 2.89 3.41 -1.26 -4.83 113.62 106.93 2gdt n SER 63 Ca 0.67 -0.15 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 2gdt n SER 63 Cb 0.35 -2.16 -0.01 0.00 -0.26 0.00 0.00 64.21 62.12 2gdt n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2gdt s ASP 64 N -1.78 6.63 0.00 4.04 -1.08 -1.26 -4.13 116.67 119.08 2gdt s ASP 64 Ca 0.33 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 50.36 2gdt s ASP 64 Cb -0.04 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2gdt s ASP 64 CO 0.86 -1.39 0.36 0.00 0.52 0.00 0.00 175.17 175.53 2gdt n ALA 65 N 8.86 1.55 -2.78 3.66 0.00 -1.26 -5.16 120.51 125.38 2gdt n ALA 65 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.77 2gdt n ALA 65 Cb 0.48 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.86 2gdt n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2gdt s LEU 66 N 0.00 0.82 -0.45 0.00 1.43 -1.26 -5.12 118.68 114.10 2gdt s LEU 66 Ca 0.00 -0.93 0.05 0.00 -1.03 0.00 0.00 54.13 52.23 2gdt s LEU 66 Cb 0.00 1.26 0.18 0.00 0.03 0.00 0.00 46.19 47.65 2gdt s LEU 66 CO 0.00 -0.94 0.53 -0.55 0.23 0.00 0.00 176.35 175.61 2gdt s SER 67 N -3.00 0.01 0.14 2.29 0.15 -1.26 -5.12 113.70 106.91 2gdt s SER 67 Ca 0.20 -2.17 -0.24 0.00 0.70 0.00 0.00 55.95 54.44 2gdt s SER 67 Cb 0.03 0.83 0.07 0.00 -1.71 0.00 0.00 66.02 65.23 2gdt s SER 67 CO 0.03 -0.13 0.73 0.28 1.20 0.00 0.00 173.24 175.35 2gdt s THR 68 N 0.70 0.00 0.00 6.45 -1.32 -1.26 -5.10 115.64 115.11 2gdt s THR 68 Ca 0.28 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2gdt s THR 68 Cb -0.01 -1.28 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 2gdt s THR 68 CO -0.10 0.00 0.16 -3.20 -2.21 0.00 0.00 174.62 169.27 2gdt n ASN 69 N -0.37 0.33 -4.09 8.08 2.85 -1.26 -4.99 115.26 115.81 2gdt n ASN 69 Ca -0.12 -0.66 -0.36 0.00 -0.11 0.00 0.00 54.58 53.33 2gdt n ASN 69 Cb 0.63 0.66 -0.09 0.00 1.24 0.00 0.00 39.78 42.22 2gdt n ASN 69 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 2gdt s HIS 70 N -0.66 3.47 -0.07 1.20 2.46 -1.26 -4.99 115.29 115.44 2gdt s HIS 70 Ca 0.00 -2.79 -0.32 0.00 0.47 0.00 0.00 55.06 52.42 2gdt s HIS 70 Cb 0.00 -3.18 0.13 0.00 -0.13 0.00 0.00 32.58 29.40 2gdt s HIS 70 CO 0.00 -0.81 1.38 0.20 -2.47 0.00 0.00 174.74 173.04 2gdt s GLY 71 N 0.46 -0.43 1.16 1.59 0.00 -1.26 -5.12 107.32 103.72 2gdt s GLY 71 Ca 0.19 0.75 -0.13 0.00 0.00 0.00 0.00 44.72 45.53 2gdt s GLY 71 CO -0.05 1.12 1.03 0.30 0.00 0.00 0.00 173.10 175.50 2gdt s HIS 72 N -2.14 1.41 -0.83 1.90 3.76 -1.26 -4.92 115.29 113.21 2gdt s HIS 72 Ca 0.17 1.10 -0.25 0.00 -0.15 0.00 0.00 55.06 55.93 2gdt s HIS 72 Cb 0.06 -3.11 -0.02 0.00 1.11 0.00 0.00 32.58 30.61 2gdt s HIS 72 CO -0.05 -3.83 1.80 0.15 -0.85 0.00 0.00 174.74 171.95 2gdt s LYS 73 N -4.54 2.78 0.51 1.40 1.02 -1.26 -4.97 119.74 114.68 2gdt s LYS 73 Ca 0.68 -0.18 -0.20 0.00 0.02 0.00 0.00 55.97 56.29 2gdt s LYS 73 Cb -0.24 -4.87 -0.07 0.00 -0.52 0.00 0.00 37.83 32.13 2gdt s LYS 73 CO 0.64 -2.94 1.11 0.08 -0.92 0.00 0.00 175.35 173.32 2gdt s VAL 74 N 8.72 3.31 0.26 3.17 1.01 -1.26 -3.70 120.40 131.90 2gdt s VAL 74 Ca 0.63 0.85 0.02 0.00 0.00 0.00 0.00 61.98 63.48 2gdt s VAL 74 Cb -0.07 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.91 2gdt s VAL 74 CO 0.05 -0.14 0.22 0.68 0.00 0.00 0.00 175.10 175.90 2gdt s VAL 75 N -1.77 0.00 0.02 2.92 -7.23 -1.22 -4.16 120.40 108.97 2gdt s VAL 75 Ca 0.69 -1.96 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2gdt s VAL 75 Cb -0.23 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2gdt s VAL 75 CO 0.27 0.00 0.02 -1.83 -0.31 0.00 0.00 175.10 173.25 2gdt s GLU 76 N -3.83 0.43 -0.08 4.82 -1.05 0.29 -4.52 118.70 114.76 2gdt s GLU 76 Ca 0.39 -0.67 -0.30 0.00 -0.15 0.00 0.00 54.97 54.23 2gdt s GLU 76 Cb 0.05 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 2gdt s GLU 76 CO 0.18 -0.09 1.02 -0.51 0.95 0.00 0.00 175.26 176.82 2gdt s LEU 77 N -1.75 4.27 0.18 1.83 1.43 -1.26 -2.21 118.68 121.17 2gdt s LEU 77 Ca -0.11 1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 54.51 2gdt s LEU 77 Cb -0.06 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2gdt s LEU 77 CO -0.02 -0.43 0.26 -0.69 0.23 0.00 0.00 176.35 175.70 2gdt s VAL 78 N 1.83 0.05 -0.09 -1.59 1.01 -0.45 -5.02 120.40 116.14 2gdt s VAL 78 Ca 0.50 -1.55 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 2gdt s VAL 78 Cb -0.19 -2.02 0.05 0.00 0.00 0.00 0.00 36.38 34.21 2gdt s VAL 78 CO 0.20 -0.23 0.50 0.00 0.00 0.00 0.00 175.10 175.57 2gdt s ALA 79 N -4.01 -1.27 0.01 5.51 0.00 -1.26 -0.56 121.76 120.18 2gdt s ALA 79 Ca 0.22 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.19 2gdt s ALA 79 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 2gdt s ALA 79 CO 0.03 -0.29 0.05 -1.21 0.00 0.00 0.00 175.76 174.35 2gdt s GLU 80 N -0.69 0.37 0.00 0.00 0.41 -1.16 -4.95 118.70 112.68 2gdt s GLU 80 Ca -0.08 -0.46 0.00 0.00 -0.41 0.00 0.00 54.97 54.03 2gdt s GLU 80 Cb -0.03 0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.46 2gdt s GLU 80 CO 0.05 -0.08 0.07 -0.12 -0.49 0.00 0.00 175.26 174.69 2gdt n MET 81 N 1.66 0.00 0.00 1.61 0.00 -1.26 -1.45 117.12 117.68 2gdt n MET 81 Ca -0.22 0.39 0.14 0.00 -0.00 0.00 0.00 57.70 58.00 2gdt n MET 81 Cb 0.56 -0.93 0.70 0.00 0.00 0.00 0.00 33.22 33.55 2gdt n MET 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2gdt n ASP 82 N -1.67 0.00 -1.83 6.12 8.00 -1.26 -4.45 116.55 121.46 2gdt n ASP 82 Ca 0.00 -0.10 -0.16 0.00 0.71 0.00 0.00 54.79 55.24 2gdt n ASP 82 Cb 0.00 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 2gdt n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gdt n GLY 83 N 1.07 -0.29 0.27 0.44 0.00 -1.26 -4.93 105.19 100.49 2gdt n GLY 83 Ca 0.13 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2gdt n GLY 83 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gdt n ILE 84 N -4.02 -0.41 -4.24 -0.61 -0.00 -1.26 -3.71 119.36 105.10 2gdt n ILE 84 Ca -0.19 1.63 -0.28 0.00 -0.00 0.00 0.00 62.75 63.91 2gdt n ILE 84 Cb 0.64 -2.08 -0.05 0.00 -0.00 0.00 0.00 39.64 38.15 2gdt n ILE 84 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2gdt s GLN 85 N -5.51 2.22 0.00 0.38 -1.52 -1.26 -4.76 119.66 109.21 2gdt s GLN 85 Ca -0.09 -2.06 0.00 0.00 -1.95 0.00 0.00 55.36 51.26 2gdt s GLN 85 Cb 0.11 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 31.02 2gdt s GLN 85 CO 0.46 -0.34 0.00 0.66 -0.25 0.00 0.00 175.29 175.82 2gdt n TYR 86 N -1.40 0.00 -0.09 0.91 4.01 -1.26 -4.00 117.16 115.32 2gdt n TYR 86 Ca -0.06 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.62 2gdt n TYR 86 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.68 2gdt n TYR 86 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2gdt h GLY 87 N 0.00 0.13 -6.45 2.72 0.00 -1.92 -0.96 103.07 96.60 2gdt h GLY 87 Ca 0.00 0.19 -0.69 0.00 0.00 0.00 0.00 47.33 46.82 2gdt h GLY 87 CO 0.00 -0.17 2.86 -2.13 0.00 0.00 0.00 176.54 177.11 2gdt n ARG 88 N -5.33 2.83 -3.84 4.80 0.63 -1.24 -4.83 116.66 109.68 2gdt n ARG 88 Ca 0.01 -2.70 -0.07 0.00 -0.92 0.00 0.00 57.85 54.17 2gdt n ARG 88 Cb 0.24 -3.32 -0.01 0.00 0.45 0.00 0.00 32.46 29.82 2gdt n ARG 88 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2gdt s SER 89 N 3.57 -0.21 0.00 6.15 0.01 -0.36 -4.81 113.70 118.04 2gdt s SER 89 Ca 0.49 -0.65 0.25 0.00 1.31 0.00 0.00 55.95 57.35 2gdt s SER 89 Cb 0.12 0.71 0.42 0.00 0.21 0.00 0.00 66.02 67.47 2gdt s SER 89 CO -0.04 -1.33 1.39 0.61 0.41 0.00 0.00 173.24 174.28 2gdt n GLY 90 N -0.47 0.81 0.00 3.44 0.00 -1.26 -4.66 105.19 103.05 2gdt n GLY 90 Ca -0.05 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2gdt n GLY 90 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2gdt n ILE 91 N 1.07 0.00 -0.14 -0.61 3.06 -1.26 -4.94 119.36 116.54 2gdt n ILE 91 Ca 0.16 0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.65 2gdt n ILE 91 Cb 0.54 -0.96 0.00 0.00 0.54 0.00 0.00 39.64 39.76 2gdt n ILE 91 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2gdt n THR 92 N 0.00 0.00 0.25 9.51 -1.04 -1.25 -4.58 114.28 117.17 2gdt n THR 92 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.05 2gdt n THR 92 Cb 0.00 -0.07 -0.05 0.00 -1.82 0.00 0.00 70.33 68.39 2gdt n THR 92 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2gdt n LEU 93 N 0.92 0.26 0.00 -4.42 7.99 0.24 -4.97 117.00 117.02 2gdt n LEU 93 Ca 0.00 -0.35 0.00 0.00 -0.01 0.00 0.00 56.01 55.65 2gdt n LEU 93 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2gdt n LEU 93 CO 0.00 0.06 0.00 0.61 -1.51 0.00 0.00 177.39 176.55 2gdt n GLY 94 N 1.45 -1.21 3.27 -0.72 0.00 -1.26 -4.59 105.19 102.13 2gdt n GLY 94 Ca 0.01 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 2gdt n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gdt s VAL 95 N -3.00 1.85 0.61 1.61 1.01 0.12 -2.30 120.40 120.31 2gdt s VAL 95 Ca 0.00 -1.08 -0.11 0.00 0.00 0.00 0.00 61.98 60.79 2gdt s VAL 95 Cb 0.00 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2gdt s VAL 95 CO 0.00 0.45 1.02 -0.76 0.00 0.00 0.00 175.10 175.81 2gdt s LEU 96 N -0.74 3.25 0.04 3.92 2.01 -0.05 -0.43 118.68 126.68 2gdt s LEU 96 Ca 0.09 1.41 -0.10 0.00 0.01 0.00 0.00 54.13 55.54 2gdt s LEU 96 Cb -0.09 -4.45 0.01 0.00 0.01 0.00 0.00 46.19 41.66 2gdt s LEU 96 CO -0.00 -0.85 0.22 0.68 1.01 0.00 0.00 176.35 177.40 2gdt s VAL 97 N -3.15 0.11 -0.17 -1.59 -7.23 -0.37 -4.59 120.40 103.41 2gdt s VAL 97 Ca 0.55 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 2gdt s VAL 97 Cb -0.11 -0.95 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 2gdt s VAL 97 CO 0.53 -0.48 1.50 -2.16 -0.31 0.00 0.00 175.10 174.18 2gdt s PRO 98 N -2.67 4.04 -0.21 4.82 0.04 -1.26 -0.94 135.00 138.82 2gdt s PRO 98 Ca -0.04 1.77 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 2gdt s PRO 98 Cb -0.01 -3.93 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 2gdt s PRO 98 CO -0.04 -0.99 1.52 -1.58 0.04 0.00 0.00 177.00 175.95 2gdt s HIS 99 N 4.32 2.28 -0.54 0.56 2.46 0.22 -4.78 115.29 119.80 2gdt s HIS 99 Ca 0.66 0.62 0.07 0.00 0.47 0.00 0.00 55.06 56.87 2gdt s HIS 99 Cb -0.26 -3.91 0.27 0.00 -0.13 0.00 0.00 32.58 28.56 2gdt s HIS 99 CO 0.25 -2.67 0.72 0.28 -2.47 0.00 0.00 174.74 170.84 2gdt n VAL 100 N 6.15 1.48 -1.33 0.89 0.31 -1.26 -4.71 118.33 119.85 2gdt n VAL 100 Ca 0.17 -4.92 -0.11 0.00 -0.01 0.00 0.00 64.34 59.47 2gdt n VAL 100 Cb 0.45 -1.78 -0.05 0.00 -0.91 0.00 0.00 33.84 31.56 2gdt n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2gdt n GLY 101 N 0.75 1.25 0.00 2.92 0.00 -1.26 -4.86 105.19 103.99 2gdt n GLY 101 Ca 0.27 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2gdt n GLY 101 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gdt n GLU 102 N -2.47 0.72 -2.03 1.61 4.71 -1.26 -4.90 120.64 117.02 2gdt n GLU 102 Ca -0.11 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.01 2gdt n GLU 102 Cb 0.40 -1.45 -0.02 0.00 -1.01 0.00 0.00 31.44 29.35 2gdt n GLU 102 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2gdt n THR 103 N -0.95 -8.45 -1.14 2.62 -1.04 -1.26 -4.82 114.28 99.23 2gdt n THR 103 Ca 0.16 1.58 -0.32 0.00 -2.04 0.00 0.00 64.05 63.44 2gdt n THR 103 Cb 0.07 -5.09 0.11 0.00 -1.82 0.00 0.00 70.33 63.60 2gdt n THR 103 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gdt s PRO 104 N -0.91 1.87 -0.01 -2.82 0.04 -1.26 -4.67 135.00 127.25 2gdt s PRO 104 Ca -0.13 1.41 0.12 0.00 0.04 0.00 0.00 61.00 62.44 2gdt s PRO 104 Cb 0.01 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.55 2gdt s PRO 104 CO 0.35 -1.97 0.32 0.44 0.04 0.00 0.00 177.00 176.18 2gdt n ILE 105 N -3.53 0.00 -3.81 0.56 -0.00 -0.76 -5.02 119.36 106.80 2gdt n ILE 105 Ca 0.11 -0.26 -0.04 0.00 -0.00 0.00 0.00 62.75 62.56 2gdt n ILE 105 Cb 0.52 0.45 0.00 0.00 -0.00 0.00 0.00 39.64 40.62 2gdt n ILE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2gdt s ALA 106 N -2.60 -1.54 0.08 -1.28 0.00 -1.24 -5.04 121.76 110.14 2gdt s ALA 106 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.86 2gdt s ALA 106 Cb 0.08 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 2gdt s ALA 106 CO 0.48 -1.05 -0.13 0.71 0.00 0.00 0.00 175.76 175.78 2gdt s TYR 107 N -2.81 1.14 -0.23 0.00 1.51 -1.26 -0.13 117.35 115.58 2gdt s TYR 107 Ca 0.16 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.69 2gdt s TYR 107 Cb -0.02 -0.64 0.07 0.00 -0.11 0.00 0.00 41.96 41.26 2gdt s TYR 107 CO 0.04 0.04 0.06 1.03 -1.11 0.00 0.00 175.55 175.61 2gdt s ARG 108 N -1.99 0.61 0.54 -0.62 1.81 0.41 -4.88 118.95 114.84 2gdt s ARG 108 Ca -0.01 -0.56 -0.16 0.00 -1.72 0.00 0.00 55.73 53.28 2gdt s ARG 108 Cb -0.08 -1.99 -0.07 0.00 -0.45 0.00 0.00 34.95 32.36 2gdt s ARG 108 CO 0.02 -0.75 1.00 0.54 -0.68 0.00 0.00 175.30 175.43 2gdt s ASN 109 N 1.84 6.42 0.35 0.23 2.20 -1.26 -2.19 114.94 122.52 2gdt s ASN 109 Ca 0.02 1.62 -0.03 0.00 -0.94 0.00 0.00 52.86 53.53 2gdt s ASN 109 Cb -0.17 -2.51 0.01 0.00 -2.00 0.00 0.00 41.25 36.57 2gdt s ASN 109 CO -0.14 -0.73 0.49 0.68 -2.94 0.00 0.00 177.10 174.46 2gdt s VAL 110 N -2.60 0.00 0.40 3.54 -7.23 -0.00 -4.95 120.40 109.55 2gdt s VAL 110 Ca 0.60 -1.57 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 2gdt s VAL 110 Cb -0.11 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.16 2gdt s VAL 110 CO 0.33 0.00 0.44 -0.76 -0.31 0.00 0.00 175.10 174.80 2gdt s LEU 111 N -3.23 3.57 -0.11 1.32 2.01 -1.24 -1.52 118.68 119.46 2gdt s LEU 111 Ca 0.30 -0.55 -0.03 0.00 0.01 0.00 0.00 54.13 53.86 2gdt s LEU 111 Cb -0.01 -2.34 0.04 0.00 0.01 0.00 0.00 46.19 43.89 2gdt s LEU 111 CO 0.20 -0.62 0.06 -0.22 1.01 0.00 0.00 176.35 176.78 2gdt s LEU 112 N -4.19 0.43 -0.06 1.79 1.98 0.14 -3.38 118.68 115.40 2gdt s LEU 112 Ca 0.49 -0.32 -0.38 0.00 -2.89 0.00 0.00 54.13 51.03 2gdt s LEU 112 Cb -0.06 -0.29 -0.16 0.00 0.66 0.00 0.00 46.19 46.34 2gdt s LEU 112 CO 0.30 -0.28 1.55 0.54 -1.89 0.00 0.00 176.35 176.56 2gdt n ARG 113 N 5.23 1.29 -3.53 1.98 1.74 -1.26 -1.19 116.66 120.92 2gdt n ARG 113 Ca -0.06 0.47 -0.24 0.00 -0.77 0.00 0.00 57.85 57.25 2gdt n ARG 113 Cb 0.49 -2.15 -0.14 0.00 -1.02 0.00 0.00 32.46 29.64 2gdt n ARG 113 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gdt s LYS 114 N 1.96 0.17 0.04 5.56 1.02 -1.26 -4.90 119.74 122.34 2gdt s LYS 114 Ca 0.90 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 56.49 2gdt s LYS 114 Cb -0.96 -1.28 -0.17 0.00 -0.52 0.00 0.00 37.83 34.89 2gdt s LYS 114 CO 0.54 -0.83 1.54 -0.91 -0.92 0.00 0.00 175.35 174.76 2gdt h ASN 115 N 8.37 -0.00 0.00 2.83 2.35 -2.04 -3.45 115.58 123.63 2gdt h ASN 115 Ca -0.17 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2gdt h ASN 115 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 2gdt h ASN 115 CO 0.34 0.20 0.00 0.61 -1.65 0.00 0.00 177.43 176.94